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Interactive NIMSInnovative NIMS

Abstracts

MEGA EVOLUTION of MATERIALS

主催：NIMS　後援：内閣府・文部科学省

AbstractsNational Institute for M

aterials Science (NIMS )

technology­transfer@nims.go.jp

Research Collaboration and Technology Transfer in NIMS

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Membership Collaboration

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About NIMS

Variety of Collaboration

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npc@nims.go.jp

NIMS

Executive Organizing Committee

Chair: Kazuhito Hashimoto

Daisuke Fujita

Yasuo Koide

Yuko Nagano

Hiroyuki Tanzawa

Eiji Muromachi

Naoki Kishimoto

Kohei Uosaki

Kenjiro Miyano

Yoshio Aoki

Chikashi Nishimura

Takao Takeuchi

Naoki Ohashi

Kazuhiro Hono

Koichi Tsuchiya

Masakazu Aono

Kiyoyuki Terakura

Steering Committee

Chair: Daisuke Fujita

Yoshio Aoki

Takashi Kobayashi

Chikashi Nishimura

Seiji Kuroda

Mikiko Tanifuji

Koji Aribayashi

Hideaki Kitazawa

Kumiko Shigano

Executive Committee

Chair: Chikashi Nishimura

Takashi Kobayashi

Shunichi Arisawa

Koji Aribayashi

Kazunori Komori

Hiromi Wakabayashi

Akio Hitachi

Hideaki Kitazawa

Masatoshi Yanagida

Akiko Kimura

Amiko Onose

Yukiko Osawa

Kumiko Shigano

NIMS Award Committee

Chair: Daisuke Fujita

Kiyoshi Kanamura (Tokyo Metropolitan University)

Kenji Tsukamoto (SHOWA DENKO K.K.)

Masahiko Morinaga (Toyota Physical and Chemical Research Institute)

Koichi Eguchi (Kyoto University)

Makoto Konagai (Tokyo City University)

Kohei Uosaki

Kenjiro Miyano

Naoki Ohashi

Kazunori Takada

Chikashi Nishimura

NIMS Award Secretariat

Masatoshi Yanagida

Hideaki Kitazawa

Academic Collaboration Oce

Academic Poster Award Committee

Chair: Daisuke Fujita

Operation Task Force

Chair: Shunichi Arisawa

Satoshi Emura

Hidehiro Yoshida

Kazunori Sugiyasu

Yoshitaka Shingaya

Narumi Ohta

Takahiro Nagata

Masataka Imura

Chiaki Yoshikawa

Kazunari Yamaura

Taichi Abe

Makoto Watanabe

Ikumu Watanabe

Takuya Kadohira

Organization

あなたは見る！材料大進化MEGA EVOLUTION of MATERIALS

巻頭言 Preface 4

プログラム Program 6

Day 1 Innovative NIMS: 学術ポスターセッションリスト Day 1 Innovative NIMS: Academic Poster Presentation List 8

Day 2 Interactive NIMS: 連携ポスターセッションリスト Day 2 Interactive NIMS: Poster Presentation List 10

Day 1 Innovative NIMS: アブストラクト Day 1 Innovative NIMS: Abstracts

　　　　企業トップ講演 　　　　Special Keynote Lecture from Industry 15

　　　　NIMS Award 　　　　NIMS Award 16

　　　　招待講演 　　　　Invited Lectures 20

Day 1 Innovative NIMS: 学術ポスターセッション アブストラクト

Day 1 Innovative NIMS: Abstracts of Academic Poster Presentations 25

Day 2 Interactive NIMS: 招待講演アブストラクト Day 2 Interactive NIMS: Abstracts of Invited Lectures 61

Day 2 Interactive NIMS: 研究成果講演ポスター Day 2 Interactive NIMS: Posters of Research Progress Presentations

　　　　 計算科学技術支援による蓄電池機構解明と 材料設計 　　　　 Computer-aided material design for batteries 65

　　　　芳香族バイオマスを用いた機能性樹脂 　　　　Aromatic Biomass-based Functional Resin 66

　　　　機能性「液体」材料 　　　　Functional 'Liquid' Materials 67

　　　　好きな形に切れるディスプレイ 　　　　Cuttable display as you like 68

　　　　高強度鋼のギガサイクル疲労強度予測式 　　　　 Predictions for gigacycle fatigue strength of high-strength steel 69

　　　　加工性に優れた高強度 TiAl基合金 　　　　 High-strength TiAl based alloys with excellent workability 70

　　　　 酸化亜鉛をコーティングしたボールベアリングと小型ジェットエンジン発電機応用

　　　　 ZnO Coated Ball Bearing for Application to Mini Jet Engine Generator 71

　　　　モイスチャーセンサ：微小な水滴を検出・判別 　　　　Moisture detection/distinction sensor 72

Day 2 Interactive NIMS: 連携ポスターセッションアブストラクト Day 2 Interactive NIMS: Abstracts of Poster Presentations

　　　　鉄鋼材料 　　　　Iron and Steel Materials 75

　　　　高温耐熱材料 　　　　 High Temperature Heat-Resistant Materials 76

　　　　構造材料評価技術 　　　　 Reliability Assessment of Structural Materials 81

　　　　計測技術 　　　　Measurement Technology 84

　　　　光学材料 　　　　Optical Materials 88

　　　　電子磁気材料・デバイス材料 　　　　 Electromagnetic Materials/Device Materials 89

　　　　太陽電池材料 　　　　Solar Cell Materials 92

　　　　熱電材料 　　　　Thermoelectric Materials 93

　　　　複合材料・特殊機能材料 　　　　 Composite Materials/Special Functional Materials 94

　　　　燃料電池材料 　　　　Fuel Cell Materials 96

　　　　二次電池材料 　　　　Rechargeable Battery Materials 98

　　　　マテリアルズ・インフォマティクス 　　　　Materials Informatics 101

　　　　センサー材料 　　　　Sensor Materials 105

　　　　生体材料 　　　　Biomaterials 107

　　　　有機材料 　　　　Organic Materials 109

目次 Contents

—3—

清秋の候、皆様におかれましては益々ご健勝のこととお慶び申し上げます。

本年は、物質・材料研究機構（NIMS）の前身である金属材料技術研究所設立から数えて 60 年、無機

材質研究所設立から 50 年、NIMS 設立から 15 年にあたる記念の年です。また、本年 10月 1日には、「特

定国立研究開発法人による研究開発等の促進に関する特別措置法」により、NIMSは特定国立研究開発法

人となり、新たなスタートを切りました。

NIMSは、特定国立研究開発法人として、安倍政権が目指す「世界で最もイノベーションに適した国」の

実現に向け、我が国が伝統的に強みを有するナノテク・材料分野におけるイノベーション・ナショナルシステムを

強力に牽引する中核機関として、橋渡し機能の強化、すなわち産学官の人材、知、資金等が結集する場の

形成を目指します。

その実現の第一歩として、この度、平成 13 年の発足以来 15 年にわたり開催してきた国際学術会議

「NIMSコンファレンス」と技術展示会「NIMSフォーラム」を「NIMS WEEK」という一つのイベントとして開

催し、 NIMSの取組を学術界、産業界に広く周知し、ナノテク・材料分野における本格的な産学官の連携体

制の構築を目指すこととしました。

今回のテーマは、「あなたは見る ! 材料大進化」と題し、世界の材料研究をリードしてきた NIMSが生み出

した、今後世界を変えていく最新の材料をご紹介し、とどまることのない材料の大進化を皆様にご覧いただきた

いと思います。

今回は、産業界をリードするトヨタ自動車株式会社の内山田竹志会長より科学技術イノベーションとNIMS へ

の期待について特別講演をおこなっていただきます。また、リチウムイオン二次電池用正極材料 （LiCoO2） の

発見とリチウムイオン二次電池の実現に関する業績で国際賞 NIMS Awardを受賞された東芝リサーチ・コンサ

ルティング（株）水島公一氏と旭化成（株）吉野彰氏の授賞式及び受賞記念講演を予定しております。この他、

第 5 期科学技術基本計画で掲げられた Society5.0の実現に向け、産学官が期待する材料開発の新たな手

法であるマテリアルズ・インフォマティクスについて、この分野において世界をリードする方々をお招きし、世界の

動向をご説明いただきます。

この NIMS WEEKを通じて、特定国立研究開発法人としてのスタートを切った新生 NIMSの強い意志を直

接肌で感じていただきたいと思います。

国立研究開発法人 物質・材料研究機構

理事長

—4—

Greetings.

It is our great pleasure to announce that the National Institute for Materials Science (NIMS) made a new start on

October 1, 2016 as a designated national research and development institute. In fact, 2016 is a commemorative

year for NIMS: 60 years have passed since the National Research Institute for Metals (NRIM) was established in

1956, 50 years have passed since the National Institute for Research in Inorganic Materials (NIRIM) was estab-

lished in 1966, and 15 years have passed since NRIM and NIRIM were merged to establish NIMS in 2001.

e reborn NIMS aims to become the leading institute in an innovational national system in the eld of materi-

als and nanotechnology, through creating a hub of human capital, knowledge and funds by means of industry-aca-

demia-government collaboration within NIMS. is year, we have merged the NIMS Conference international aca-

demic meeting and the NIMS Forum technology showcase, both of which have continued for 15 years since 2001,

into NIMS WEEK. We have been working to provide as many opportunities as possible for collaboration among

industry, academia and government.

A program with the theme “MEGA EVOLUTION OF MATERIALS” consists of a number of exciting events

over two days, including a special lecture by Mr. Takeshi Uchiyamada, Chairman of the Board, Toyota Motor Cor-

poration, and a commemorative lecture from NIMS Award Winners Dr. Koichi Mizushima and Dr. Akira Yoshino,

the creators of the lithium-ion rechargeable battery.

NIMS is preparing a giant leap forward to where the great evolution of materials begins. I hope NIMS WEEK

2016 will be a stimulating and rewarding event for participants.

Best wishes,

Kazuhito Hashimoto

President

National Institute for Materials Science

—5—

プログラムDay 1: Innovative NIMS 10月 20日（木）ホール B5

9:30 - 10:00 開場、受付開始10:00 - 10:05 開会挨拶10:05 - 10:10 来賓挨拶（内閣府）10:10 - 10:15 来賓挨拶（文部科学省）

10:15 - 11:00理事長講演「我が国のイノベーション・ナショナルシステムと特定国立研究開発法人としてのNIMSの新たな取組」物質・材料研究機構　理事長　橋本 和仁

11:00 - 12:00企業トップ講演「科学技術イノベーションとNIMSへの期待」トヨタ自動車株式会社 代表取締役会長　内山田 竹志 氏

12:00 - 13:00 学術ポスターセッションコアタイム（12:00～ 13:30 ランチタイム）13:30 - 13:50 NIMS Award 授賞式

13:50 - 14:35NIMS Award 受賞記念講演（１）「リチウムイオン電池のはじまり－正極材料 LixCoO2の開発」東芝リサーチ・コンサルティング株式会社 エグゼクティブフェロー　水島 公一 氏（英語講演）

14:35 - 15:20NIMS Award 受賞記念講演（２）「リチウムイオン電池 現在・過去・未来」旭化成株式会社 顧問 　吉野 彰 氏

15:20 - 15:50 学術ポスターセッションコアタイム（コーヒーブレイク）

15:50 - 16:35招待講演 （１）「フランス・イノベーションハブの最前線：MINATEC & CEA-Tech」

MINATEC 所長　ジャン -シャルル ギベール 氏（英語講演）

16:35 - 17:20招待講演 （２）「都市気候や地域のエネルギー需要・消費問題の解決に向けて ～ 材料から都市スケールへの統合的アプローチ～」

Empa/ETH Zurich 教授　ジャン カーメリエ 氏（英語講演）17:20 - 17:30 学術ポスターセッション

Day 2: Interactive NIMS 10月 21日（金）ホール B79:30 - 10:00 開場、受付開始

10:00 - 10:05 開会挨拶10:05 - 10:15 NIMS連携メニュー紹介

10:15 - 11:00 招待講演（１）「材料物性へのデータマイニング手法の適用の現状と展望」北陸先端科学技術大学院大学 准教授　Dam Hieu Chi 氏（日本語講演）

11:00 - 11:15NIMS研究成果講演（１）「計算科学技術支援による蓄電池機構解明と材料設計」（ポスター No.53）館山 佳尚

11:15 - 11:30NIMS研究成果講演（２）「芳香族バイオマスを用いた機能性樹脂」（ポスター No.73）内藤 昌信

11:30 - 11:45NIMS研究成果講演（３）「機能性 『液体』材料」（ポスター No.72）中西 尚志

11:45 - 12:00NIMS研究成果講演（４）「好きな形に切れるディスプレイ」（ポスター No.71）樋口 昌芳

12:00 - 13:00 連携ポスターセッションコアタイム（12:00～ 13:30ランチタイム）

13:30 - 14:30招待講演（２）「マテリアルズ・インフォマティクス：データマイニング、インフラストラクチャー及び合金の設計」

Northwestern University 教授　Peter Voorhees 氏（英語講演）

14:30 - 14:45NIMS研究成果講演（５）「高強度鋼のギガサイクル疲労強度予測式」（ポスター No.2）古谷 佳之

14:45 - 15:00NIMS研究成果講演（６）「加工性に優れた高強度 TiAl基合金」（ポスター No.3）鉄井 利光

15:00 - 16:00 連携ポスターセッションコアタイム（コーヒーブレイク）

16:00 - 16:15NIMS研究成果講演（７）「酸化亜鉛をコーティングしたボールベアリングと小型ジェットエンジン発電機応用」（ポスター No.4）土佐 正弘

16:15 - 16:30NIMS研究成果講演（８）「モイスチャーセンサ：微小な水滴を検出・判別」（ポスター No.64）川喜多 仁

16:30 - 16:45 　学術ポスター賞表彰式16:45 - 17:25 　連携ポスターセッション17:25 - 17:30 　閉会挨拶

—6—

ProgramDay 1: Innovative NIMS October 20th (Thur), Hall B5

9:30 - 10:00 Registration10:00 - 10:05 Opening Remarks 10:05 - 10:10 Guest Speech 1 (Cabinet Oce)10:10 - 10:15 Guest Speech 2 (Ministry of Education, Culture, Sports, Science and Technology (MEXT) )

10:15 - 11:00Lecture by the President (in Japanese) "Japan's Innovation National System and NIMS's new challenges as Designated National R&D Institute" Prof. Kazuhito Hashimoto, President, National Institute for Materials Science (NIMS)

11:00 - 12:00Special Keynote Lecture from Industry (in Japanese) "Major role of NIMS for Science &Technology innovation"Mr. Takeshi Uchiyamada, Chairman of the Board , Toyota Motor Corporation

12:00 - 13:00 Core Time for Poster Presentation (12:00～ 13:00 Lunch Time)13:30 - 13:50 NIMS Award Ceremony

13:50 - 14:35NIMS Award-Winning Lecture 1 "Development of a new cathode material LixCoO2"Dr. Koichi Mizushima, Executive Fellow, Toshiba Research Consulting Corporation

14:35 - 15:20NIMS Award-Winning Lecture 2 (in Japanese)"Lithium ion battery - Current, past and future -"Dr. Akira Yoshino, Advisor, Asahi Kasei Corporation

15:20 - 15:50 Core Time for Poster Presentation (Coee Break）

15:50 - 16:35Invited Lecture 1 "MINATEC and CEA-Tech : At the core of the French innovation hub of Grenoble"Dr. Jean-Charles Guibert, Director, MINATEC, France

16:35 - 17:20Invited Lecture 2 "How can we solve our urban climate and energy problems? An integrated approach from material to city scale"Prof. Dr. Jan Carmeliet, Empa/ETH Zurich, Switzerland

17:20 - 17:30 Poster Presentation

Day 2: Interactive NIMS October 21st (Fri), Hall B79:30 - 10:00 Registration

10:00 - 10:05 Opening Remarks10:05 - 10:15 Introduction: How to collaborate with NIMS

10:15 - 11:00Invited Lecture 1 (in Japanese)"Today and future: Application of data mining for materials characteristics"Prof. Dam Hieu Chi, Japan Advanced Institute of Science and Technology

11:00 - 11:15NIMS Research Progress Presentation 1 (in Japanese)"Computer-aided material design for batteries" [Poster 53]Dr. Yoshitaka Tateyama

11:15 - 11:30NIMS Research Progress Presentation 2 (in Japanese)"Aromatic Biomass-based Functional Resin" [Poster 73]Dr. Masanobu Naito

11:30 - 11:45NIMS Research Progress Presentation 3 (in Japanese)"Functional 'Liquid' Materials" [Poster 72]Dr. Takashi Nakanishi

11:45 - 12:00NIMS Research Progress Presentation 4 (in Japanese)"Cuttable display as you like" [Poster 71]Dr. Masayoshi Higuchi

12:00 - 13:00 Core Time for Poster Presentation (12:00-13:30 Lunch Time)

13:30 - 14:30Invited Lecture 2"Materials informatics: Mining, infrastructure, and alloy design"Prof. Peter Voorhees, Northwestern University, USA

14:30 - 14:45NIMS Research Progress Presentation 5 (in Japanese)"Predictions for gigacycle fatigue strength of high-strength steel" [Poster 2]Dr. Yoshiyuki Furuya

14:45 - 15:00NIMS Research Progress Presentation 6 (in Japanese)"High-strength TiAl based alloys with excellent workability" [Poster 3]Dr. Toshimitsu Tetsui

15:00 - 16:00 Core Time for Poster Presentation (Coee Break)

16:00 - 16:15NIMS Research Progress Presentation 7 (in Japanese)"ZnO Coated Ball Bearing for Application to Mini Jet Engine Generator" [Poster 4]Dr. Masahiro Tosa

16:15 - 16:30NIMS Research Progress Presentation 8 (in Japanese)"Moisture detection/distinction sensor" [Poster 64]Dr. Jin Kawakita

16:30 - 16:45 Academic Poster Award Ceremony16:45 - 17:25 Poster Presentation17:25 - 17:30 Closing Remarks

—7—

Day1: Innovative NIMS Academic Poster Presentation

Poster No. Page Name Aliation Presentation Title

P1-01 25 Tsubasa Imai Saitama University/NIMS Nanophase-separated alloys as precious-metal-free exhaust catalysts

P1-02 25 Chikako Sakai NIMS Active voltage contrast imaging of multilayer ceramic capacitor using helium ion microscopy

P1-03 26 Kentaro Tomita NIMSSide products on the cathode in nonaqueous lithium-oxygen secondary batteries: water induced decomposition of dimethyl sulfoxide

P1-04 26 Jeng-Ting Tsai Taipei University of Technology/NIMS

Hydrogen separation from ammonia decomposed gas by vanadium alloy membrane

P1-05 27 Bobby Barker University of South Carolina/NIMS Carrier dynamics at the interface between MAPbI3 perovskite and carrier transport layers

P1-06 27 M. Bodiul Islam University of Yamanashi/NIMS Sputter deposited metal oxide thin lms as hole transport material for ecient perovskite solar cells

P1-07 28 Ganesan Elumalai NIMS Highly enhanced electrocatalytic evolution of hydrogen at insulating boron nitride modied gold

P1-08 28 Dhruba B. Khadka NIMSEnhancement in eciency and optoelectronic quality of perovskite PV materials following MACl ambient annealing

P1-09 29 Haruka Mitani Tokyo University of Science/NIMS Ni-Fe-Mg alloy nanoparticle catalysts for hydrogen production

P1-10 29 Shoichi Sugata NIMSPreparation and characterization of transparent garnet-type Al-doped Li7La3Zr2O12 for lithium battery applications

P1-11 30 Shiva Kumar Singh NIMS Substitution eect on the thermoelectric properties in K8Ga8Si38

P1-12 30 Shogo Miyoshi NIMS Surface chemical state of (La,Sr)CoO3 for cathode of solid oxide fuel cells

P1-13 31 Masatoshi Yanagida NIMS Role of carrier transport in hole transport layer on photovoltaic properties of perovskite solar cells

P1-14 31 Yasuhiro Shirai NIMS High stability of low-temperature processed perovskite solar cells with sputtered inorganic layers

P1-15 32 Kaur Manpreet Hokkaido University/NIMS TiN coated ceramic ber wool for photothermal water heating and vaporization

P1-16 32 Xinlong Wang University of Tsukuba/NIMS Independent inuence of cell adhesion and spreading on dierentiation of human mesenchymal stem cells

P1-17 33 Jianmin Yang NIMS A mild polymerization approach for single mammalian cell encapsulation

P1-18 33 Shuo Yang NIMSPotential-dependent double resonance sum frequency generation spectroscopy to probe electronic state at solid/liquid Interface

P1-19 34 Thiyagu Subramani NIMSHigh eciency silicon hybrid solar cells via energy management by employing nanocrystalline Si quantum dots and Si nanoholes

P1-20 34 Min Zhou Yangzhou University/NIMS Metallic nickel-iron bi-metal pyrite eletrocatalyst for oxygen evolution reactions

P1-21 35 Ryo Matsumoto University of Tsukuba/NIMS Novel diamond anvil cell for electrical measurements using boron-doped metallic diamond electrodes

P1-22 35 Masashi Tanaka NIMSDirect observation of phase separation between superconductor and insulator on the single crystals of KxFe2-ySe2

P1-23 36 Chao Zhang University of Tsukuba/NIMS Amorphous P@graphene paper for ultrastable sodium-ion batteries

P1-24 36 Qunhong Weng NIMS Tuning band gaps of h-BN through chemical functionalization

P1-25 37 Hiroshi Hara University of Tsukuba/NIMS Synthesis of mercury-based high-Tc superconductors using CsCl catalyst

P1-26 37 Ken Pradel NIMS p-Zinc oxide/n-silicon nanowire heterojunctions for optoelectronics

P1-27 38 Shunsuke Yoshizawa NIMS Exploring magnetic-eld-tolerant superconductivity in atomic-layer materials

P1-28 38 Aichi Yamashita University of Tsukuba/NIMSSynthesis and performance improvement of iron chalcogenide superconductors by electrochemical technique

P1-29 39 Kouji Suzuki University of Tsukuba/NIMS Enhancement of superconductivity in EuFBiS2 using high pressure

P1-30 39 Qingqing Sun Waseda University/NIMS Low doses of TiO2-PEG nanoparticles stimulate proliferation of hepatocyte cells

P1-31 40 Hiroyasu Taniguchi Osaka Alloying Works, Co., Ltd. Investigation of new bronze alloys for high performance Nb3Sn superconducting wires

P1-32 40 Yuka Takemura Hokkaido University/NIMS Development of uoride ion removal materials using sea urchin shells as a marine waste

—8—

Poster No. Page Name Aliation Presentation Title

P1-33 41 Shinsuke Ishihara NIMS/Massachusetts Institute of Technology

Wearable toxic gas sensor based on supramolecular carbon nanotube wrapper and near eld communication technology

P1-34 41 Hideki Masuda NIMSOperando analysis of all-solid-state lithium ion batteries using nanoscale electrical potential measurement and Li mapping

P1-35 42 Hongxin Wang NIMS Advanced in situ multi-scale characterization of mechanical properties of carbon-ber-reinforced plastic

P1-36 42 Saori Toyoizumi Tokyo Denki University Giant magnetic refrigerant materials for hydrogen liquefaction

P1-37 43 Norimichi Watanabe NIMS Analysis of micrometer-sized precipitates in heat-resistant steels by TOF-SIMS

P1-38 43 Shogo Koshiya NIMS Direct observation of dye molecules for solar cell on a titania nanosheet surface by ADF-STEM

P1-39 44 Rodrigo Sato NIMS Quantum size eects in the nonlinear response of metal plasmonic nanoparticles

P1-40 44 Agata Kowalska Warsaw University of Technology/NIMS

Inuence of Ti on mechanical properties and structure of Ni-free ODS steel

P1-41 45 Phillip David Bentley University of York/NIMS Nanoparticle-decorated graphene for advanced battery design

P1-42 45 Masahiko Suzuki NIMSPerpendicular magnetic anisotropy in Co/Ni multilayers studied with high brightness and highly spin-polarized LEEM

P1-43 46 Tingting Jia NIMS Manipulation of ferroelectric and magnetic domains in a multiferroic Bi0.9La0.1FeO3 thin lm

P1-44 46 Asriana Ibrahim Ehime University Modeling of dynamic behavior of interfacial bonding using EFIT and its experimental validation

P1-45 47 Satsuki Nakamura Toho University Two dimensional mapping system for permeated hydrogen on stainless steel

P1-46 47 Hidenobu Nakao NIMS Plasmon-enhanced uorescence from Ag nanoparticle-doped pyrolytic DNA nanobers

P1-47 48 Atsushi Goto NIMS NMR spectroscopy under photo-illumination at low temperatures

P1-48 48 Nobuhiro Ishikawa NIMS The iron making from Fe2O3 by use of ceramics with in situ TEM

P1-49 49 Santosh Shrestha NIMS Sustainable construction materials: characteristics of stabilized soil

P1-50 49 Wataru Tasaki University of Tsukuba/NIMS Eect of phase stability on low-cycle fatigue properties in Fe-28Mn-6Si-5Cr shape memory alloy

P1-51 50 Debabrata Payra NIMS Nature-adapted next-generation coatings and adhesives

P1-52 50 Jovana Ruzic NIMSInvestigation of the inuence of elemental distribution in Ti-12Mo alloy on its mechanical properties by nanoindentation test

P1-53 51 Wenchong Zhou University of Tsukuba/NIMS First-principles study of the phase stability and elastic properties of Ti-X alloys (X = Mo, Nb, Al, Sn, Zr, Fe, Co, and O)

P1-54 51 Tsutomu Ito National Institute of Technology, Kagawa College/NIMS

Creep properties of near-α titanium alloys consisting of an acicular microstructure

P1-55 52 Kotaro Doi NIMS Hydrogen entry into high strength steel in wear-corrosion environment including Cl-

P1-56 52 Tomonori Kitashima NIMS Design and development of heat-resistant high-strength Ti alloys for jet engines

P1-57 53 Thaer M. Dieb NIMS DAMAS: an annotation support tool for material information

P1-58 53 Randy Jalem NIMS Application of DFT and informatics for screening ion conductive ceramics

P1-59 54 Tomoki Yamashita Osaka University/NIMS Search for magnet materials based on materials informatics

P1-60 54 Hitoshi Fujii NIMS First principles calculations and machine learning of magnetic properties

P1-61 55 Takeshi Ohnishi Toyota Technological Institute at Chicago

Preliminary experiments: causal relation extraction from natural language texts for material development

P1-62 55 Yutaka Adachi NIMS Improvement of moisture resistance of La2O3 by impurity doping

P1-63 56 Yasuo Iijima NIMS Research and development of Nb3Al superconducting wires for high magnetic eld applications

P1-64 56 Minghui Song NIMS TEM characterization of a Mg2Si0.5Sn0.5 solid solution for high-performance thermoelectrics

P1-65 57 Yoshimitsu Hishinuma National Institute for Fusion ScienceDevelopment of Nb3Sn wire using Cu-Sn-Zn ternary bronze matrix for the prototyped fusion reactor "DEMO" application

—9—

Day2 : Interactive NIMS 連携ポスターセッション

No. ページ 研究分野 研究者氏名 研究成果発表タイトル

P2-01 75鉄鋼材料

澤口 孝宏、高森 晋 低サイクル疲労寿命 10倍化を可能にする FCC合金設計指針

P2-02 75 古谷 佳之 高強度鋼のギガサイクル疲労強度予測式

P2-03 76

高温耐熱材料

鉄井 利光 加工性に優れた高強度 TiAl基合金

P2-04 76 土佐 正弘、笠原 章、本田 博史、鈴木 裕、後藤 真宏、佐々木道子

酸化亜鉛をコーティングしたボールベアリングと小型ジェットエンジン発電機応用

P2-05 77 Yuefeng Gu High Performance Ni-Fe-Based Alloys for A-USC Applications

P2-06 77 御手洗 容子 高温形状記憶合金の設計

P2-07 78 北嶋 具教、御手洗 容子 航空機エンジンに用いる高強度耐熱チタン合金の設計・開発

P2-08 78 黒田 秀治、本橋 功会、御手洗 容子 大型鍛造シミュレータを用いたプロセス開発

P2-09 79 村上 秀之 PtIr新規耐酸化コーティング

P2-10 79 江村 聡、土谷 浩一 元素の不均一分布を利用したチタン合金の機械的性質の向上

P2-11 80 黒田 聖治、荒木 弘、渡邊 誠 サスペンションプラズマスプレー法による微細組織セラミックコーティング

P2-12 80 Rudder Wu、R. Virtudazo Aerogel based materials for Thermal Management Applications

P2-13 81

構造材料評価技術

原 徹 超伝導 X線検出器を応用した超高精度分析電子顕微鏡

P2-14 81 西川 嗣彬、古谷 佳之 微細組織による疲労耐性の評価　-微小き裂解析技術の高度化 -

P2-15 82 草野 正大、畑野 秀樹 中赤外レーザ光源開発とFRP非破壊評価技術への応用

P2-16 82 Dongfeng He、志波 光晴、渡邊 誠 Steel Rebar Evaluation Using Electromagnetic Method

P2-17 83 Dmitry S. Bulgarevich、志波 光晴 Gigahertz time-domain spectroscopy and imaging for non-destructive materials testing

P2-18 83 渡邊 育夢 材料組織の数値シミュレーションによるバルク特性評価

P2-19 84

計測技術

高野 義彦、松本 凌 金属ダイヤモンドを用いた新しい高圧発生装置

P2-20 84 福島 整、奥井 眞人、森山 倫宏 化学状態分析用高分解能Ｘ線分光器の小型・低コスト化

P2-21 85 石田 暢之、増田 秀樹 断面 SPMによる実デバイス評価技術

P2-22 85 増田 卓也 燃料電池における固液界面現象のその場観察

P2-23 86 吉川 純、木本 浩司 リチウム分布の定量的な可視化

P2-24 86 橋本 綾子 その場 TEM観察のための試料ホルダー

P2-25 87 上杉 文彦 Dual EDS検出器を搭載した TEMによる原子分解能EDS測定

P2-26 87 端 健二郎 固体 NMRの技術開発と材料分析への応用

—10—

No. ページ 研究分野 研究者氏名 研究成果発表タイトル

P2-27 88

光学材料

久保 祥一 ナノインプリントリソグラフィによる光メタマテリアル

P2-28 88 Huabing Wang Compact solid state THz sources made of high temperature superconductors

P2-29 89 瀬川 浩代 SiAlON蛍光体分散ガラス

P2-30 89

電子磁気材料・デバイス材料

佐久間 芳樹 遷移金属ダイカルコゲナイド単層膜のスケーラブルなCVD成長技術

P2-31 90 広沢 哲、三俣 千春 ジスプロシウムを利用しない永久磁石

P2-32 90 知京 豊裕 新バッファー層を使った Si基板上の単結晶 GaNテンプレートの作製

P2-33 91 森山 悟士 架橋カーボンナノチューブをテンプレートとした超極細超伝導ナノワイヤー

P2-34 91 三成 剛生、Xuying Liu 1ミクロンの解像度で電子回路を印刷

P2-35 92太陽電池材料

Liyuan Han、Ashraful Islam 高性能ペロブスカイト太陽電池 (PSC)

P2-36 92 Thiyagu Subramani、Wipakorn Jevasuwan、深田 直樹 半導体ナノ構造太陽電池

P2-37 93熱電材料

後藤 真宏、佐々木 道子、徐 一斌、高際 良樹、磯田 幸宏、篠原 嘉一 熱電材料のハイスループットスパッタ材料合成・評価

P2-38 93 森 孝雄 新規な高性能ｐ、ｎ対熱電材料の創製と熱電変換素子

P2-39 94

複合材料・特殊機能材料

ノビヤント・アルフィアン、西村 聡之、大橋 直樹

風化を模倣した熱化学プロセスによるセラミックの原料微細化とリサイクル

P2-40 94 鈴木 達 磁場を利用したセラミックス結晶配向制御技術

P2-41 95 Christopher Mercer 3-D Laser Printing of Structures for Improved Functionality and Safety

P2-42 95 重藤 暁津 低温大気圧接合によるCFRP-金属ハイブリッド材の構築

P2-43 96 染川 英俊 粒界制御による高靱性・延性マグネシウム合金

P2-44 96

燃料電池材料

森 利之、Andirr Rednyk、鈴木 彰、大久保 弘

高性能燃料電池材料設計研究（高分子形燃料電池、酸化物形燃料電池）

P2-45 97 阿部 英樹、今井 翼 ナノ相分離触媒による高効率分子変換

P2-46 97 野口 秀典、坂牛 健 新規エネルギー変換電極触媒

P2-47 98

二次電池材料

太田 鳴海 全固体リチウム電池用シリコン系高容量負極

P2-48 98 久保 佳実、伊藤 仁彦 リチウム空気二次電池

P2-49 99 Jie Tang High Performance Graphene Supercapacitors

P2-50 99 長田 実 酸化物ナノシートでつくる高温対応キャパシタ

P2-51 100 小林 清 高機能電気化学インピーダンス解析ソフト

P2-52 100 熊倉 浩明 簡便、低コストのナノカーボンコート法

—11—

No. ページ 研究分野 研究者氏名 研究成果発表タイトル

P2-53 101

マテリアルズ・インフォマティクス

館山 佳尚、袖山 慶太郎 計算科学技術支援による蓄電池機構解明と材料設計

P2-54 101 中山 将伸、館山 佳尚 全固体電池の最適材料：巨大データベースからの全自動決定に向けて

P2-55 102 小口 多美夫 機械学習による磁性予測　コンピュータが考えたキュリー温度

P2-56 102 津田 宏冶 最少労力・最大効率の物性予想　ビッグデータ時代の材料開発汎用パッケージ

P2-57 103 吉田 亮、池端 久 機械学習で埋蔵分子を発掘 ー R言語パッケージ iqspr

P2-58 103 岡田 真人 スパースモデリングで始める社内MIイノベハブ

P2-59 104 源 聡、門平 卓也、出村 雅彦、渡邊 誠 革新的な構造材料開発のためのマテリアルズインテグレーション（ＭＩ）システム

P2-60 104 徐 一斌、桑島 功、細谷 順子 情報駆動型材料開発の根幹　 データプラットフォーム

P2-61 105 徐 一斌、塩見 淳一郎、篠原 嘉一 熱輸送物性の統合と産業用素材の設計

P2-62 105

センサー材料

島村 清史、E. García Víllora、X. Fu、大橋 直樹 高温センサー用Ca3TaGa3-xAlxSi2O14 (CTGAS)圧電単結晶

P2-63 106 長尾 忠昭、横山 喬大、石井 智、Dao Duy Thang 波長選択型赤外線デバイス

P2-64 106 川喜多 仁 モイスチャーセンサ：微小な水滴を検出・判別

P2-65 107

生体材料

田口 哲志 血管新生能と組織接着能を有する成長因子フリー多孔膜

P2-66 107 中西 淳、山口 和夫 細胞移動解析のための新材料

P2-67 108 Guoping Chen、Naoki Kawazoe Development of Nanostructured Scaolds

P2-68 108 川上 亘作 リン脂質のみで構成される多孔性固体粒子を利用した薬物治療システム

P2-69 109

有機材料

若山 裕、早川 竜馬 分子で操るトンネル電流

P2-70 109 小林 由佳 ドープフリー高伝導性有機材料

P2-71 110 樋口 昌芳 好きな形に切れるディスプレイ

P2-72 110 中西 尚志 機能性 「液体」材料

P2-73 111 内藤 昌信 芳香族バイオマスを用いた機能性樹脂

—12—

Day1 Innovative NIMS

Special Lecture

NIMS Award

Invited Lectures

Day 1

Major role of NIMS for science & technology innovation Takeshi Uchiyamada Chairman of the Board, Toyota Motor Corporation

The Prius launched at end of 1997 with the slogan ”Just in Time for the 21st Century”. There was a huge increase in global awareness surrounding environmental issues, and particularly greenhouse gas emissions. Launching the Prius met historical necessity. It provided innovation that met social needs. This project are developed by Toyota and our suppliers.

But for revolutionary R&D projects, it is necessary to strengthen cooperation between academia, government and industry. And it is important to create bridges between three sectors: academia, government and industry. Initial scientific discoveries must be supported and then brought to the commercialization stage. We call this cooperation ‘Open innovation’.

The Council for Science, Technology and Innovation has been very active under the administration of Prime Minister Abe. The council has also set up two research promotion projects: the “Cross-ministerial Strategic Innovation Promotion Program”, and the “Impulsing Paradigm Change through Disruptive Technologies Program”. I think that these projects are good example of ‘Open innovation’.

NIMS should be the center of ‘Open innovation for materials field’, and help build bridges between organizations. This can be done in a number of ways: personnel exchanges, inter-university training, technical transfers to industry through joint or commissioned research, or transfer of resources from industry to R&D organizations and universities. 科学技術イノベーションと NIMSへの期待

内山田 竹志 トヨタ自動車株式会社 代表取締役会長 1990年代にトヨタはハイブリッドカー‘プリウス’を開発し自動車の環境へのイノベーションをおこしました。しかしこれはトヨタと関連サプライヤーが単独でおこしたイノベーションであり50年100年先の将来に向けた技術革新のためには産学官連携のオープンイノベーションが必要です。 内閣府の総合科学技術イノベーション会議ではSIPなどのプログラムによりこれらのトライを開始しています。NIMSは材料技術開発分野で特定国立研究開発法人としてこの産学官連携のオープンイノベーションの橋渡し役となり、世界をリードし成果を上げていく事が期待されます。

—15—

Day 1

Special Lecture

Development of a new cathode material LixCoO2

Koichi Mizushima Executive Fellow, Toshiba Reseach Consulting Corporation

A new cathode material LixCoO2 was developed at Inorganic Chemistry Laboratory in Oxford. In the summer of 1977 I received a letter from Prof. John Goodenough, offering me a temporary post at the laboratory for a research of ionic conductors used in solid-state Li batteries. We had been acquainted with each other in the field of magnetism before he moved to Oxford from MIT in 1976. I accepted his offer and the research started in January 1978. While I was looking over possible ionic conductors in various books and papers to fix our target materials, Dr. Phil Wiseman, a research assistant of the laboratory, showed me a new paper by M. Whittingham on a LixTiS2 cathode [1] just published in Jan. 1978. Both Prof. and I were so much impressed by the performance of the cathode that we changed our research target from ionic conductors to cathode materials, that is, development of new cathode materials superior to LixTiS2. The LixTiS2/Li cell had still the problems for practical application associated with non-reversible deposition at the lithium anode. Any change in the anode from pure lithium to alleviate these problems reduced the cell voltage below the practical level. After a few months of preliminary experiments, we finally determined to develop oxide cathodes, which could be of higher voltage than sulfide cathodes and might make it possible to replace lithium to other materials in the anode [2].

It was considered that high-voltage cells could be obtained by using oxide cathodes containing high valence states of heavier transition-metal ions [2,3] such as Fe4+, Co4+ and Ni4+. Although many cathode materials had been explored since 1976 [4], they were mostly synthesized by electrochemical lithium insertion, that is, layer compounds such as TiS2 were first prepared by high-temperature process and then insertion compounds such as LixTiS2 were obtained by electrochemical insertion of lithium at room temperature. It was, however, difficult to prepare high-valence layer oxides such as NiO2 by high-temperature processes. The synthetic route chosen was to prepare the discharged-cathode material, a ternary lithium oxide such as LiNiO2, with a conventional high-temperature process and to obtain the charged material such as LixNiO2 (0<x<1) by room-temperature electrochemical extraction of the lithium. This method had been used by D. Murphy to prepare LixVS2 cathodes [5]. The transition-metal lithium oxides LiMO2 (M = Co and Ni) crystallize in the layered rocksalt structure, in which the Li+ and M3+ ions occupy alternate (111) layers of the structure. We had also obtained it for M = Fe by low-temperature ion exchange of NaFeO2, although it was difficult to extract lithium from LiFeO2 electrochemically at room temperature. We examined LixCoO2 particularly in detail, because it appeared to be the most promising of these systems for battery applications.

A sample of nominal composition LiCoO2 was analyzed to be Li0.99Co1.01O2, showing that excess cobalt ions of about 1% were in lithium layers. A teflon electrochemical cell was used for lithium extraction [2]. A cathode was prepared by pressing 20 mg LiCoO2 powder of a few micron grains onto a 1-cm diameter stainless-steel gauze disc. The electrolyte was a 1 M LiBF4 solution in propylene carbonate. The lithium was extracted from LiCoO2 under the current density below 100 A/cm2. Open-cell voltage (OCV) of LixCoO2/Li cell increased with decreasing x, that is, from 3.9 V at x = 0.95 to 4.7 V at x = 0.063. Effective chemical diffusion constant Deff of Li in LixCoO2 was measured by the method of Weppner and Huggins [6]. Deff 10-8 cm2/s for x = 0.4 – 0.8 was obtained with a broad peak around x 0.5, which was due to the large enhancement factor for the compositions. Deff 10-8 cm2/s was in good agreement with the results of 7Li-NMR for LixCoO2 powder materials.

For charging and discharging under the higher current densities above 1 mA/cm2, the large overvoltage was observed for the cathodes prepared with the method mentioned above. It was deduced

from a simple model that the overvoltage was inversely proportional to Deff and proportional to the current density and the thickness of the cathode. In the case of Deff 10-8 cm2/s, the thickness was required to be less than 0.1 mm for the overvoltage below 0.1 V under the current of a few mA/cm2. A cathode of 70 m thickness prepared on the platinum plate showed the overvoltage below 0.1 V under the current of 4 mA/cm2.

Lithium ion batteries (LIBs) in which a lithium anode was replaced by V2O5 or TiS2 were also prepared. The anodes were prepared by pressing V2O5 or TiS2 powder onto the stainless-steel gauze in a similar method as the LiCoO2 cathodes. These materials which had been used as cathode materials in conventional batteries worked as anodes in these cells. OCVs of these LIBs were about 1.6-1.8 V. References [1] M. S. Whittingham, Prog. Solid State Chem., 12, 41 (1978). [2] K. Mizushima, P. C. Jones, P. J. Wiseman and J. B. Goodenough, Mater. Res. Bull., 15, 783 (1980). [3] K. Mizushima, M. Tanaka and S. Iida, J. Phys. Soc. Jpn, 32, 1519 (1972). [4] M. S. Whittingham, J. Electrochem. Soc. 123, 315 (1976). [5] D. W. Murphy, J. N. Carides, F. J. Di Salvo, C. Cros and J. V. Waszczac, Mater. Res. Bull, 12, 825 (1977). [6] W. Weppner and R. A. Huggins, J. Electrochem. Soc. 124, 1569 (1977).

—16—

Day 1

NIM

S Award

Development of a new cathode material LixCoO2

Koichi Mizushima Executive Fellow, Toshiba Reseach Consulting Corporation

A new cathode material LixCoO2 was developed at Inorganic Chemistry Laboratory in Oxford. In the summer of 1977 I received a letter from Prof. John Goodenough, offering me a temporary post at the laboratory for a research of ionic conductors used in solid-state Li batteries. We had been acquainted with each other in the field of magnetism before he moved to Oxford from MIT in 1976. I accepted his offer and the research started in January 1978. While I was looking over possible ionic conductors in various books and papers to fix our target materials, Dr. Phil Wiseman, a research assistant of the laboratory, showed me a new paper by M. Whittingham on a LixTiS2 cathode [1] just published in Jan. 1978. Both Prof. and I were so much impressed by the performance of the cathode that we changed our research target from ionic conductors to cathode materials, that is, development of new cathode materials superior to LixTiS2. The LixTiS2/Li cell had still the problems for practical application associated with non-reversible deposition at the lithium anode. Any change in the anode from pure lithium to alleviate these problems reduced the cell voltage below the practical level. After a few months of preliminary experiments, we finally determined to develop oxide cathodes, which could be of higher voltage than sulfide cathodes and might make it possible to replace lithium to other materials in the anode [2].

It was considered that high-voltage cells could be obtained by using oxide cathodes containing high valence states of heavier transition-metal ions [2,3] such as Fe4+, Co4+ and Ni4+. Although many cathode materials had been explored since 1976 [4], they were mostly synthesized by electrochemical lithium insertion, that is, layer compounds such as TiS2 were first prepared by high-temperature process and then insertion compounds such as LixTiS2 were obtained by electrochemical insertion of lithium at room temperature. It was, however, difficult to prepare high-valence layer oxides such as NiO2 by high-temperature processes. The synthetic route chosen was to prepare the discharged-cathode material, a ternary lithium oxide such as LiNiO2, with a conventional high-temperature process and to obtain the charged material such as LixNiO2 (0<x<1) by room-temperature electrochemical extraction of the lithium. This method had been used by D. Murphy to prepare LixVS2 cathodes [5]. The transition-metal lithium oxides LiMO2 (M = Co and Ni) crystallize in the layered rocksalt structure, in which the Li+ and M3+ ions occupy alternate (111) layers of the structure. We had also obtained it for M = Fe by low-temperature ion exchange of NaFeO2, although it was difficult to extract lithium from LiFeO2 electrochemically at room temperature. We examined LixCoO2 particularly in detail, because it appeared to be the most promising of these systems for battery applications.

A sample of nominal composition LiCoO2 was analyzed to be Li0.99Co1.01O2, showing that excess cobalt ions of about 1% were in lithium layers. A teflon electrochemical cell was used for lithium extraction [2]. A cathode was prepared by pressing 20 mg LiCoO2 powder of a few micron grains onto a 1-cm diameter stainless-steel gauze disc. The electrolyte was a 1 M LiBF4 solution in propylene carbonate. The lithium was extracted from LiCoO2 under the current density below 100 A/cm2. Open-cell voltage (OCV) of LixCoO2/Li cell increased with decreasing x, that is, from 3.9 V at x = 0.95 to 4.7 V at x = 0.063. Effective chemical diffusion constant Deff of Li in LixCoO2 was measured by the method of Weppner and Huggins [6]. Deff 10-8 cm2/s for x = 0.4 – 0.8 was obtained with a broad peak around x 0.5, which was due to the large enhancement factor for the compositions. Deff 10-8 cm2/s was in good agreement with the results of 7Li-NMR for LixCoO2 powder materials.

For charging and discharging under the higher current densities above 1 mA/cm2, the large overvoltage was observed for the cathodes prepared with the method mentioned above. It was deduced

from a simple model that the overvoltage was inversely proportional to Deff and proportional to the current density and the thickness of the cathode. In the case of Deff 10-8 cm2/s, the thickness was required to be less than 0.1 mm for the overvoltage below 0.1 V under the current of a few mA/cm2. A cathode of 70 m thickness prepared on the platinum plate showed the overvoltage below 0.1 V under the current of 4 mA/cm2.

Lithium ion batteries (LIBs) in which a lithium anode was replaced by V2O5 or TiS2 were also prepared. The anodes were prepared by pressing V2O5 or TiS2 powder onto the stainless-steel gauze in a similar method as the LiCoO2 cathodes. These materials which had been used as cathode materials in conventional batteries worked as anodes in these cells. OCVs of these LIBs were about 1.6-1.8 V. References [1] M. S. Whittingham, Prog. Solid State Chem., 12, 41 (1978). [2] K. Mizushima, P. C. Jones, P. J. Wiseman and J. B. Goodenough, Mater. Res. Bull., 15, 783 (1980). [3] K. Mizushima, M. Tanaka and S. Iida, J. Phys. Soc. Jpn, 32, 1519 (1972). [4] M. S. Whittingham, J. Electrochem. Soc. 123, 315 (1976). [5] D. W. Murphy, J. N. Carides, F. J. Di Salvo, C. Cros and J. V. Waszczac, Mater. Res. Bull, 12, 825 (1977). [6] W. Weppner and R. A. Huggins, J. Electrochem. Soc. 124, 1569 (1977).

—17—

Day 1

NIM

S Award

Lithium ion battery - Current, past and future -

Akira YoshinoAdvisor, ASAHI KASEI Corporation

1. INTRODUCTIONCommercialization of the lithium ion battery(LIB) made

available an energy density of around three times as high or more than could be obtained with nickel-cadmium (Ni/Cd) or nickel-metal hydride batteries (Ni/H2), in terms of both weight and volume, as shown in Figure 1., facilitating a major reduction in the size and weight of the power supply of portable devices. Moreover, by providing an electromotive force of 4 V or more, the LIB made it possible to drive a cellular phone with a single cell.

2. COURSE OF DEVELOPMENT OF LIBThe need for rechargeable batteries of higher capacity with smaller size and weight grew in the 1980s.

All attempts to convert the metallic lithium battery into a secondary battery were unsuccessful. The LIB, defined as “a nonaqueous secondary battery using transition metal oxides containing lithium ions such as LiCoO2 as a cathode and carbonaceous material as an anode” met this need.

LiCoO2 was first used as positive electrode material by Mizushima K..in 1979 [1], although it was in combination with metallic lithium as negative electrode material.

In 1981 the author began research on nonaqueous secondary batteries using polyacetylene as an anode. Discovered by Shirakawa H., polyacetylene is an electroconductive polymer. Many researchers studied polyacetylene as a cathode, but the author studied it as an anode. The problem was finding a suitable cathode material as a donor of lithium ions to the negative electrode during charging. LiCoO2 offered a solution, and in 1983 the author invented a new secondary battery using LiCoO2 as a cathode and polyacetylene as an anode.

Although this first cell was functional, the low real density of polyacetylene meant that available capacity was limited, and polyacetylene’s chemical stability was inadequate. The author therefore searched for a new carbonaceous material to replace polyacetylene as an anode.

Many researchers had studied graphite as a negative electrode material, but propylene carbonate, the common organic electrolyte, would decompose during charging when graphite was used. The author found that carbonaceous material with a certain crystalline structure increased capacity without causing decomposition of propylene carbonate as graphite did. The first example of the carbonaceous material with a certain crystalline structure was VGCF (Vapor Phase Grown Carbon fiber). The secondary battery which the author successfully fabricated based on this new combination of component materials enabled stable charging and discharging, over many cycles for a long period.

This new battery system comprising of “Nonaqueous secondary battery using transition metal oxides contained lithium ion such as LiCoO2 as a cathode and carbonaceous materials as an anode” was invented in 1985 [2]. After further development the LIB was commercialized by SONY in 1991 and by Asahi Kasei-TOSHIBA in 1992.

3. OUTLOOK FOR FUTURELIB has created a large market as a compact and light weight power sources for Mobile-IT devices

0

100

200

300

400

500

600

0 25 50 75 100 125 150 175 200

Specific energy Wh kg-1

Ene

rgy

dens

ity

Wh

L-1

Ni / H2

Ni / Cd

LIB

Figure 1. Specific and energy density of LIB

such as a mobile phone and laptop PC, and the growth of market is continuing. From 2010, it began the application for electric vehicles. Figure 2 shows the latest market transition of LIB for Mobile-IT and electric vehicles. It is clear that a new market for electric vehicles has been formed, however, it is also true that the rate of market spread is slow than was expected. Cost and driving range of electric vehicles are main issues.

In order to solve these issues, creation of technology based on a new concept is required. I want to introduce three recent researches examples that may lead to new concept.

References[1] Goodenough J.B.; Mizushima K.; Wiseman P.J. 1979, EP17400[2] Yoshino A.; Sanechika K.; Nakajima T. 1985, USP4,668,595

Figure2. Sales amounts of LIB for mobile-IT and EV

—18—

Day 1

NIM

S Award

Lithium ion battery - Current, past and future -

Akira YoshinoAdvisor, ASAHI KASEI Corporation

1. INTRODUCTIONCommercialization of the lithium ion battery(LIB) made

available an energy density of around three times as high or more than could be obtained with nickel-cadmium (Ni/Cd) or nickel-metal hydride batteries (Ni/H2), in terms of both weight and volume, as shown in Figure 1., facilitating a major reduction in the size and weight of the power supply of portable devices. Moreover, by providing an electromotive force of 4 V or more, the LIB made it possible to drive a cellular phone with a single cell.

2. COURSE OF DEVELOPMENT OF LIBThe need for rechargeable batteries of higher capacity with smaller size and weight grew in the 1980s.

All attempts to convert the metallic lithium battery into a secondary battery were unsuccessful. The LIB, defined as “a nonaqueous secondary battery using transition metal oxides containing lithium ions such as LiCoO2 as a cathode and carbonaceous material as an anode” met this need.

LiCoO2 was first used as positive electrode material by Mizushima K..in 1979 [1], although it was in combination with metallic lithium as negative electrode material.

In 1981 the author began research on nonaqueous secondary batteries using polyacetylene as an anode. Discovered by Shirakawa H., polyacetylene is an electroconductive polymer. Many researchers studied polyacetylene as a cathode, but the author studied it as an anode. The problem was finding a suitable cathode material as a donor of lithium ions to the negative electrode during charging. LiCoO2 offered a solution, and in 1983 the author invented a new secondary battery using LiCoO2 as a cathode and polyacetylene as an anode.

Although this first cell was functional, the low real density of polyacetylene meant that available capacity was limited, and polyacetylene’s chemical stability was inadequate. The author therefore searched for a new carbonaceous material to replace polyacetylene as an anode.

Many researchers had studied graphite as a negative electrode material, but propylene carbonate, the common organic electrolyte, would decompose during charging when graphite was used. The author found that carbonaceous material with a certain crystalline structure increased capacity without causing decomposition of propylene carbonate as graphite did. The first example of the carbonaceous material with a certain crystalline structure was VGCF (Vapor Phase Grown Carbon fiber). The secondary battery which the author successfully fabricated based on this new combination of component materials enabled stable charging and discharging, over many cycles for a long period.

This new battery system comprising of “Nonaqueous secondary battery using transition metal oxides contained lithium ion such as LiCoO2 as a cathode and carbonaceous materials as an anode” was invented in 1985 [2]. After further development the LIB was commercialized by SONY in 1991 and by Asahi Kasei-TOSHIBA in 1992.

3. OUTLOOK FOR FUTURELIB has created a large market as a compact and light weight power sources for Mobile-IT devices

0

100

200

300

400

500

600

0 25 50 75 100 125 150 175 200

Specific energy Wh kg-1

Ene

rgy

dens

ity

Wh

L-1

Ni / H2

Ni / Cd

LIB

Figure 1. Specific and energy density of LIB

such as a mobile phone and laptop PC, and the growth of market is continuing. From 2010, it began the application for electric vehicles. Figure 2 shows the latest market transition of LIB for Mobile-IT and electric vehicles. It is clear that a new market for electric vehicles has been formed, however, it is also true that the rate of market spread is slow than was expected. Cost and driving range of electric vehicles are main issues.

In order to solve these issues, creation of technology based on a new concept is required. I want to introduce three recent researches examples that may lead to new concept.

References[1] Goodenough J.B.; Mizushima K.; Wiseman P.J. 1979, EP17400[2] Yoshino A.; Sanechika K.; Nakajima T. 1985, USP4,668,595

Figure2. Sales amounts of LIB for mobile-IT and EV

—19—

Day 1

NIM

S Award

MINATEC and CEA-Tech : At the core of the French innovation hub of Grenoble Jean-Charles Guibert Director of MINATEC® Director of technology transfer of CEA® Grenoble history is based on a strong engineering culture around the triple helix higher education,

research and industry. This engineering culture started from 1870 with the development of all the necessary technologies to capture energy from water falls, then develop paper making industry, leading to electrotechnology, and in the seventies Grenoble city emerges as a forerunner to microelectronics.

Looking back, the 1970 Nobel prize in Physics, the French expert in magnetism, Louis Néel, professor at the Grenoble Polytechnic Institute, higher education structure, was asked to set up in 1956 the Grenoble site of the French Atomic Energy research organization (CEA). By 1967, CEA decided to set-up the Leti (Laboratory of Electronics and Technology of Information) for its strategic needs, mainly development of miniaturized electronic devices and systems which are if possible radiation resistant. Leti spun off its MOS activity in 1972 to create a new company named EFCIS (Entreprise de Fabrication Circuits Intégrés Silicium), company which leads to STMicroelectronics today.

At the end of the nineties, Leti management was convinced that a new model has to be adopted to face the challenges of nanotechnology and that entering in the nano-era requires an increasingly significant effort in basic research and consecutive development. In addition to the well-known “top-down” approach widely used in microelectronics, the emergence of a complementary “bottom-up” approach to fabrication of structures requires the integration of competencies from many different fields of expertise. Moreover, assembling devices using molecular building blocks requires a skill set not typically found in a traditional industrial environment as well as the development and timely availability of specific equipments.

Following the Grenoble culture of technology transfer from research to industry, in order to boost the economic impact of investment in public research, MINATEC project team believed that nanotechnologies as an industry have to benefit from these breakthroughs. So they thought MINATEC as a place where to manage the integration of knowledge based results from academic research in applied research programs conducted within public-private partnership and moving to high TRL in products available daily at an affordable price by customers. So, by 2002, the decision was taken to break ground for the MINATEC innovation campus which will gather an engineering school, multiple academic labs, the Leti applied labs, and a specific entity to host start-up and industrial partners. Today MINATEC hosts more than 4000 research oriented staff from masters students to industrial staff of partners, covering 150.000 sqm of building in which 12.000 sqm of clean room dedicated to micro and nanotechnologies.

In parallel, Leti Labs model was duplicated within two others institutes, the Liten dedicated to green energies and the List focused on integratived software. All are part of CEA-Tech, the technological division of the mother institution CEA. Starting 2012, MINATEC model was also extended within GIANT, which aims to gather all the necessary competencies to address challenges in information, energy, and health technologies.

We will cover all these issues within the presentation and show some of the achievements from CEA-tech institutes on MINATEC Innovation Campus in Grenoble/France.

How can we solve our urban climate and energy problems? An integrated approach from material to city scale Jan Carmeliet Chair of Building Physics, Swiss Federal Institute of Technology Zurich (ETHZ) Laboratory of Multiscale studies in Building Physics, Swiss Federal Laboratories for Materials Science and Technology (Empa)

An important part of the world’s energy is used for space cooling and heating of buildings. Therefore, buildings represent excellent opportunities for reducing energy demands by energy efficient measures. However, buildings are also expected to contribute to the supply side of the energy system by incorporating various renewable sources, such as solar, wind, and bioenergy, in combination with efficient technologies like heat pumps and cogeneration, both at the building and the district scale. Due to increasing urbanization trends, cities today account for approx. 64% of the global primary energy demand and 70% of total energy-related CO2 emissions, where buildings in cities today account for about two-thirds of the final energy consumption of the whole buildings sector (IEA, 2016). In this perspective, renewable decentralized energy systems (RDES) are seen as promising future solutions, acting as hosts for efficient and renewable energy conversion and storage technologies.

In a first part of the lecture, I will present strategies to transform our buildings and urban districts towards renewable decentralized multi-energy systems, based on a three step approach: building energy demand assessment including retrofit and renewable potential, design of RDES through optimization, and optimal management of RDES towards an energy market participation.

Moreover, it has recently been demonstrated that our summer climates will experience a pronounced increase in incidence of heat waves in response to climate change. Therefore, our cities are confronted with serious challenges to formulate adaptive response strategies to cope with these changes. Especially urban areas may be affected, since these regions experience urban heat island (UHI) effects, characterized by higher air temperatures compared to the surrounding rural environment. High temperatures in summer may dramatically reduce the thermal comfort of the inhabitants of urban areas, leading to health problems and substantial reduction of expected life time or quality, and increasing building energy demands due to extensive cooling. Therefore, the assessment of the urban microclimate has been rapidly gaining interest during the last years.

In a second part of this lecture, I will present a multiscale approach, which is based on the modelling of the main urban physical processes at play such as wind flow, radiation transfer, moisture transport, evapotranspiration of vegetation, convective heat transfer at building and ground surfaces, heat conduction and storage in building materials, soils and water bodies, rain. This model allows for the assessment of different mitigation measures for improving the urban climate during heat waves with special attention to solutions involving multifunctional and adaptive materials.

—20—

Day 1

Invited Lectures

MINATEC and CEA-Tech : At the core of the French innovation hub of Grenoble Jean-Charles Guibert Director of MINATEC® Director of technology transfer of CEA® Grenoble history is based on a strong engineering culture around the triple helix higher education,

research and industry. This engineering culture started from 1870 with the development of all the necessary technologies to capture energy from water falls, then develop paper making industry, leading to electrotechnology, and in the seventies Grenoble city emerges as a forerunner to microelectronics.

Looking back, the 1970 Nobel prize in Physics, the French expert in magnetism, Louis Néel, professor at the Grenoble Polytechnic Institute, higher education structure, was asked to set up in 1956 the Grenoble site of the French Atomic Energy research organization (CEA). By 1967, CEA decided to set-up the Leti (Laboratory of Electronics and Technology of Information) for its strategic needs, mainly development of miniaturized electronic devices and systems which are if possible radiation resistant. Leti spun off its MOS activity in 1972 to create a new company named EFCIS (Entreprise de Fabrication Circuits Intégrés Silicium), company which leads to STMicroelectronics today.

At the end of the nineties, Leti management was convinced that a new model has to be adopted to face the challenges of nanotechnology and that entering in the nano-era requires an increasingly significant effort in basic research and consecutive development. In addition to the well-known “top-down” approach widely used in microelectronics, the emergence of a complementary “bottom-up” approach to fabrication of structures requires the integration of competencies from many different fields of expertise. Moreover, assembling devices using molecular building blocks requires a skill set not typically found in a traditional industrial environment as well as the development and timely availability of specific equipments.

Following the Grenoble culture of technology transfer from research to industry, in order to boost the economic impact of investment in public research, MINATEC project team believed that nanotechnologies as an industry have to benefit from these breakthroughs. So they thought MINATEC as a place where to manage the integration of knowledge based results from academic research in applied research programs conducted within public-private partnership and moving to high TRL in products available daily at an affordable price by customers. So, by 2002, the decision was taken to break ground for the MINATEC innovation campus which will gather an engineering school, multiple academic labs, the Leti applied labs, and a specific entity to host start-up and industrial partners. Today MINATEC hosts more than 4000 research oriented staff from masters students to industrial staff of partners, covering 150.000 sqm of building in which 12.000 sqm of clean room dedicated to micro and nanotechnologies.

In parallel, Leti Labs model was duplicated within two others institutes, the Liten dedicated to green energies and the List focused on integratived software. All are part of CEA-Tech, the technological division of the mother institution CEA. Starting 2012, MINATEC model was also extended within GIANT, which aims to gather all the necessary competencies to address challenges in information, energy, and health technologies.

We will cover all these issues within the presentation and show some of the achievements from CEA-tech institutes on MINATEC Innovation Campus in Grenoble/France.

How can we solve our urban climate and energy problems? An integrated approach from material to city scale Jan Carmeliet Chair of Building Physics, Swiss Federal Institute of Technology Zurich (ETHZ) Laboratory of Multiscale studies in Building Physics, Swiss Federal Laboratories for Materials Science and Technology (Empa)

An important part of the world’s energy is used for space cooling and heating of buildings. Therefore, buildings represent excellent opportunities for reducing energy demands by energy efficient measures. However, buildings are also expected to contribute to the supply side of the energy system by incorporating various renewable sources, such as solar, wind, and bioenergy, in combination with efficient technologies like heat pumps and cogeneration, both at the building and the district scale. Due to increasing urbanization trends, cities today account for approx. 64% of the global primary energy demand and 70% of total energy-related CO2 emissions, where buildings in cities today account for about two-thirds of the final energy consumption of the whole buildings sector (IEA, 2016). In this perspective, renewable decentralized energy systems (RDES) are seen as promising future solutions, acting as hosts for efficient and renewable energy conversion and storage technologies.

In a first part of the lecture, I will present strategies to transform our buildings and urban districts towards renewable decentralized multi-energy systems, based on a three step approach: building energy demand assessment including retrofit and renewable potential, design of RDES through optimization, and optimal management of RDES towards an energy market participation.

Moreover, it has recently been demonstrated that our summer climates will experience a pronounced increase in incidence of heat waves in response to climate change. Therefore, our cities are confronted with serious challenges to formulate adaptive response strategies to cope with these changes. Especially urban areas may be affected, since these regions experience urban heat island (UHI) effects, characterized by higher air temperatures compared to the surrounding rural environment. High temperatures in summer may dramatically reduce the thermal comfort of the inhabitants of urban areas, leading to health problems and substantial reduction of expected life time or quality, and increasing building energy demands due to extensive cooling. Therefore, the assessment of the urban microclimate has been rapidly gaining interest during the last years.

In a second part of this lecture, I will present a multiscale approach, which is based on the modelling of the main urban physical processes at play such as wind flow, radiation transfer, moisture transport, evapotranspiration of vegetation, convective heat transfer at building and ground surfaces, heat conduction and storage in building materials, soils and water bodies, rain. This model allows for the assessment of different mitigation measures for improving the urban climate during heat waves with special attention to solutions involving multifunctional and adaptive materials.

—21—

Day 1

Invited Lectures

Day1 Innovative NIMS

Academic Poster Presentation

Day 1

Academ

ic Poster Presentation

Active voltage contrast imaging of multilayer ceramic capacitor using helium ion microscopy C. Sakai1, N. Ishida1, H. Masuda1, S. Nagano1, M. Kitahara1, Y. Ogata2 and D. Fujita1 1 National Institute for Materials Science 2 TAIYO YUDEN CO., LTD.

To develop a characterization method of electrical potential distribution, we studied active voltage contrast (AVC) imaging using helium ion microscopy (HIM) [C. Sakai et al., Appl. Phys. Lett. 109, 051603 (2016).]. We observed secondary electron (SE) images of the cross-sectional surface of multilayer ceramic capacitors (MLCCs) with and without a voltage applied to the internal electrodes. When no voltage was applied, we obtained an image reflecting the material contrast between the Ni internal electrode region and the BaTiO3 dielectric region. When a voltage was applied, the electrical potential difference between the grounded and the positively-biased internal electrodes affected the contrast (voltage contrast). Moreover, attenuation of the SE intensity from the grounded to the positively biased internal electrodes was observed in the dielectric region. By using the AVC image from the HIM observation and the contact potential difference image from the KPFM measurement, we could quantitatively evaluate the electrical potential. We are planning to apply this measurement technique to a p-n junction of a solar cell.

This work was supported by the MEXT Program for Development of Environmental Technology using Nanotechnology, and the Japan Society for the Promotion of Science (KAKENHI; 16K14104).

Nanophase-separated alloys as precious-metal-free exhaust catalysts T. Imai1,2, T. Tanabe3 and H. Abe2 1 Graduate school of Science and Technology, Saitama University 2 Center for Green Research on Energy and Environmental Materials, National Institute for Materials Science 3 Department of Materials & Life Chemistry, Kanagawa University

Precious-group-metal (PGM: Pt, Pd, Rh and/or Ru) catalysts are used in various industrial applications, especially in the purification of automobile exhaust. It is an urgent issue to develop exhaust catalysts consisting of earth-abundant metals to meet the future possible depletion of the mineral PGM resources. Here, we report that nanophase-separated alloys, which consist of cheap and abundant copper (Cu) and oxygen-deficient zirconium oxide (ZrOx; x < 2), can be prepared by oxidation treatments of an ordered alloy Cu51Zr14. The prepared catalyst exhibits much higher activity than Pt or Rh catalysts at low temperatures toward the remediation of simulated automobile exhaust comprising nitrogen monoxide (NO) and carbon monoxide (CO).

P1-01

P1-02

—25—

Day 1

Academ

ic Poster Presentation

Sputter deposited metal oxide thin films as hole transport material for efficient perovskite solar cells M. B. Islam1,2, M. Yanagida1 Y. Shirai1 and K. Miyano1 1 Global Research Center for Environment and Energy based on Nanomaterials Science (GREEN , National Institute for Materials Science 2 Interdisciplinary Graduate School of Medicine and Engineering, University of Yamanashi

Many metal oxides possess some common characteristics like being non-toxic, chemically stable, cheap and abundant. They can be widely used as photoactive, transparent conductive oxide, and electron/hole transport layers in solar cells. Price of solar cells can be reduced using low cost fabrication methods with cheap oxide materials. Our current research target is to use environmentally friendly, inexpensive, abundant and durable oxides as the hole transport material of perovskite solar cells. We have been developing the oxide materials like CuO, NiO, Cu-doped NiO, etc., for improved hole transport layers.

Currently, most of the researchers use organic layers as the hole transport material. But these layers introduce instability, e.g., the acidic properties of PEDOT: PSS have adverse effects on the underlying ITO layer. Replacing organic layer of perovskite solar cell by effective oxides will improve the efficiency and stability of these solar cells. We have improved the optical properties of CuO, NiO and Cu-doped NiO by sputter deposition, which is a cheap and facile method of thin film fabrication.

Hydrogen separation from ammonia decomposed gas by vanadium alloy membrane J. Tsai1,2, T. Masuda3, H. Kimura4 and C. Nishimura1 1 Hydrogen Production Materials Group, Center for Green Research on Energy and Environmental Materials, National Institute for Materials Science 2 Institute of Materials Science and Engineering, Taipei University of Technology 3 RCAMC/Surface Characterization Group, National Institute for Materials Science 4 Suzuki Shokan Co., Ltd.

There is a growing interest in the application of non-porous membranes in hydrogen fueling stations. Alloys based on vanadium have attracted the attention of researchers in chemical engineering and materials science, because of their high hydrogen permeability and good deformability. In 2014, we have started a project funded by JST-CREST. In this project, vanadium alloys optimized for the hydrogen production process from energy carriers such as ammonia and methylcyclohexane will be developed for membrane separation. How to store or transport hydrogen fuel is a matter of general debate. Ammonia is an energy carrier candidate because it has an advantage of high volumetric and weight energy density. Here we present results of hydrogen permeation using vanadium alloy membranes from a gas mixture of hydrogen, nitrogen and ammonia. The effects of nitrogen and ammonia impurities on hydrogen separation membranes were studied by X-ray photoelectron spectroscopy (XPS).

Side products on the cathode in nonaqueous lithium-oxygen secondary batteries: water induced decomposition of dimethyl sulfoxide K. Tomita1, H. Noguchi1,2 and K. Uosaki1,2,3 1 Global Research Center for Environment and Energy Based on Nanomaterials Science (GREEN), National Institute for Materials Science 2 Center for Green Research on Energy and Environmental Materials (Greater GREEN), National Institute for Materials Science 3 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science

Water in nonaqueous lithium-oxygen secondary batteries often changes battery performances such as discharge capacity and rechargeability. This is because water interferes with the oxygen reduction reaction on the cathode. In this study, the influence of water on the discharge product in the Li+ containing electrolyte solution based on dimethyl sulfoxide (DMSO) was examined by in situ surface enhanced Raman scattering spectroscopy and electrochemical quartz microbalance measurements. In addition to Li2O2, which is known as the active material, side products such as LiHO2∙H2O, H2O2, LiOH∙H2O and Li2SO4 were detected in the electrolyte solution containing ca. 1000 ppm water. Formation of Li2SO4 indicated decomposition of DMSO. These results suggested that the amount of water in the electrolyte solution should be reduced to prevent the formation of side products during discharge-charge cycles.

P1-03

P1-04

—26—

Day 1

Academ

ic Poster Presentation

Sputter deposited metal oxide thin films as hole transport material for efficient perovskite solar cells M. B. Islam1,2, M. Yanagida1 Y. Shirai1 and K. Miyano1 1 Global Research Center for Environment and Energy based on Nanomaterials Science (GREEN , National Institute for Materials Science 2 Interdisciplinary Graduate School of Medicine and Engineering, University of Yamanashi

Many metal oxides possess some common characteristics like being non-toxic, chemically stable, cheap and abundant. They can be widely used as photoactive, transparent conductive oxide, and electron/hole transport layers in solar cells. Price of solar cells can be reduced using low cost fabrication methods with cheap oxide materials. Our current research target is to use environmentally friendly, inexpensive, abundant and durable oxides as the hole transport material of perovskite solar cells. We have been developing the oxide materials like CuO, NiO, Cu-doped NiO, etc., for improved hole transport layers.

Currently, most of the researchers use organic layers as the hole transport material. But these layers introduce instability, e.g., the acidic properties of PEDOT: PSS have adverse effects on the underlying ITO layer. Replacing organic layer of perovskite solar cell by effective oxides will improve the efficiency and stability of these solar cells. We have improved the optical properties of CuO, NiO and Cu-doped NiO by sputter deposition, which is a cheap and facile method of thin film fabrication.

Carrier dynamics at the interface between MAPbI3 perovskite and carrier transport layers B. Barker1,2, M. Yanagida1, H. Noguchi1, Y. Shirai1 and K. Miyano1 1 Global Research Center for Environment and Energy based on Nanomaterials Science (GREEN , National Institute for Materials Science 2 Department of Chemistry and Biochemistry, University of South Carolina

Lead halide perovskite photovoltaics have shown tremendous growth in solar energy conversion over the last decade. Perovskite-based solar cells originally developed as a sensitized solar cell, however in recent years planar perovskite solar cells have been developed. Planar perovskite solar cells have reached power conversion efficiency values of over 20%. While lead halide perovskites demonstrate ambipolar conduction, typically carrier transport layers are used to collect electrons and holes. Despite their rapid advancement, there is still limited understanding of the fundamental photophysics and carrier dynamics of planar perovskite solar cells and the role of transport layers. Using time resolved visible pump – IR probe spectroscopy, we try to understand the working principles and charge carrier dynamics of planar perovskite-based solar cells to engineer high efficiency and stable perovskite photovoltaics.

Hydrogen separation from ammonia decomposed gas by vanadium alloy membrane J. Tsai1,2, T. Masuda3, H. Kimura4 and C. Nishimura1 1 Hydrogen Production Materials Group, Center for Green Research on Energy and Environmental Materials, National Institute for Materials Science 2 Institute of Materials Science and Engineering, Taipei University of Technology 3 RCAMC/Surface Characterization Group, National Institute for Materials Science 4 Suzuki Shokan Co., Ltd.

There is a growing interest in the application of non-porous membranes in hydrogen fueling stations. Alloys based on vanadium have attracted the attention of researchers in chemical engineering and materials science, because of their high hydrogen permeability and good deformability. In 2014, we have started a project funded by JST-CREST. In this project, vanadium alloys optimized for the hydrogen production process from energy carriers such as ammonia and methylcyclohexane will be developed for membrane separation. How to store or transport hydrogen fuel is a matter of general debate. Ammonia is an energy carrier candidate because it has an advantage of high volumetric and weight energy density. Here we present results of hydrogen permeation using vanadium alloy membranes from a gas mixture of hydrogen, nitrogen and ammonia. The effects of nitrogen and ammonia impurities on hydrogen separation membranes were studied by X-ray photoelectron spectroscopy (XPS).

Side products on the cathode in nonaqueous lithium-oxygen secondary batteries: water induced decomposition of dimethyl sulfoxide K. Tomita1, H. Noguchi1,2 and K. Uosaki1,2,3 1 Global Research Center for Environment and Energy Based on Nanomaterials Science (GREEN), National Institute for Materials Science 2 Center for Green Research on Energy and Environmental Materials (Greater GREEN), National Institute for Materials Science 3 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science

Water in nonaqueous lithium-oxygen secondary batteries often changes battery performances such as discharge capacity and rechargeability. This is because water interferes with the oxygen reduction reaction on the cathode. In this study, the influence of water on the discharge product in the Li+ containing electrolyte solution based on dimethyl sulfoxide (DMSO) was examined by in situ surface enhanced Raman scattering spectroscopy and electrochemical quartz microbalance measurements. In addition to Li2O2, which is known as the active material, side products such as LiHO2∙H2O, H2O2, LiOH∙H2O and Li2SO4 were detected in the electrolyte solution containing ca. 1000 ppm water. Formation of Li2SO4 indicated decomposition of DMSO. These results suggested that the amount of water in the electrolyte solution should be reduced to prevent the formation of side products during discharge-charge cycles.

P1-05

P1-06

—27—

Day 1

Academ

ic Poster Presentation

Preparation and characterization of transparent garnet-type Al-doped Li7La3Zr2O12 for lithium battery applications S. Sugata1, N. Saito1, T. Ohnishi1, Je-Deok Kim1 and I. Honma2 1 NIMS Open Innovation Center, National Institute for Materials Science 2 Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Li7La3Zr2O12 (LLZ) is a promising electrolyte for all-solid-state battery due to its high Li ion conductivity and stability against Li metal anode [1]. To improve the battery properties, we investigated the densification of LLZ samples. The samples were synthesized by the Pechini method [2]. They were processed by hot isostatic pressing (HIP) at 1180°C and 132 MPa. The electrochemical properties of the LFP/LLZ/Li cell were investigated by cyclic voltammetry and galvanostatic measurement. The samples were transparent and had a density of >99% after HIP treatment. Using HIP treatment for LLZ sample, we have shown that the conductivity was improved by the densification of LLZ sample. The cell showed good cycle stability at 1/50 C rate. The specific charge capacity of the cathode active material was 168 mAh g-1 and the discharge capacity was 169 mAh g-1 after 20 cycles. LFP has a theoretical capacity of 170 mAh g-1, and the composite cathode achieved almost full capacity of LFP. The coulomb efficiency was approximately one, and side reactions were not observed. The LFP/LLZ/Li cell showed high stability against Li metal anode and good cycle stability. [1] R. Murugan, V. Thangadurai and W. Weppner, Angew. Chem. Int. Ed. 46, 7778 (2007). [2] M.P. Pechini, US Patent no. 3,330,697, July 11, 1967.

Enhancement in efficiency and optoelectronic quality of perovskite PV materials following MACl ambient annealing D. B. Khadka, Y. Shirai, M. Yanagida and K. Miyano Global Research Center for Environment and Energy based on Nanomaterials Science (GREEN), National Institute for Materials Science We present an approach toward enhancement in efficiency of lead halide based perovskite photovoltaic (PV) materials via post deposition treatment (PDT) of perovskite film in methyl ammonium chloride (MACl). Perovskite films annealed in MACl exhibit significantly improved film quality with enhanced crystallinity, grain morphology, surface electronic states and photoluminescence intensity, which resulted in more efficient devices with the best efficiency of ~15.1% with narrow distribution and improved stability compared to devices without MACl PDT. The analysis of optoelectronic characteristics of devices revealed the mitigation of defect states, reduced defect density, improvement in carrier profile and passivation of recombination activities, which lead to improved optoelectronic qualities of perovskite thin films. PDT in MACl ambient is thus a significant step forward toward viable PV devices. A study to gain the insight of the microscopic mechanism of the PDT is underway.

Highly enhanced electrocatalytic evolution of hydrogen at insulating boron nitride modified gold G. Elumalai1, H. C. Dinh2, H. Noguchi1,2 and K. Uosaki1,2 1 Global Research Center for Environment and Energy Based on Nanomaterials Science (GREEN), National Institute for Materials Science 2 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science Hydrogen is the cleanest fuel and represents one of the most promising energy sources. The finding of the efficient electrocatalysts to reduce the overpotential of the hydrogen evolution reaction (HER) is essential for a variety of electrochemical processes, fuel cells, and solar H2 production (water splitting). Numerous theoretical and experimental studies have been reported claiming that boron nitride (BN) can adsorb hydrogen better than carbon nanotubes (CNTs). Here, we demonstrate that electrochemical HER proceeds very efficiently at Au electrodes modified with insulating BN nanosheets (BNNS). This combination has been reported as an efficient electrocatalyst for oxygen reduction reaction. The highest efficiency was achieved at Au electrode modified with the smallest BNNS (0.1-0.22 µm), where overpotentials were only 30 mV and 40 mV larger than those at Pt electrode, at 5 mAcm­2 and at 15 mAcm­2, respectively. Theoretical evaluation suggests that some of the edge atoms provide energetically favored sites for adsorbed hydrogen, i.e., the intermediate state of HER. This study opens a new route for developing HER electrocatalysts.

P1-07

P1-08

—28—

Day 1

Academ

ic Poster Presentation

Preparation and characterization of transparent garnet-type Al-doped Li7La3Zr2O12 for lithium battery applications S. Sugata1, N. Saito1, T. Ohnishi1, Je-Deok Kim1 and I. Honma2 1 NIMS Open Innovation Center, National Institute for Materials Science 2 Institute of Multidisciplinary Research for Advanced Materials, Tohoku University Li7La3Zr2O12 (LLZ) is a promising electrolyte for all-solid-state battery due to its high Li ion conductivity and stability against Li metal anode [1]. To improve the battery properties, we investigated the densification of LLZ samples. The samples were synthesized by the Pechini method [2]. They were processed by hot isostatic pressing (HIP) at 1180°C and 132 MPa. The electrochemical properties of the LFP/LLZ/Li cell were investigated by cyclic voltammetry and galvanostatic measurement. The samples were transparent and had a density of >99% after HIP treatment. Using HIP treatment for LLZ sample, we have shown that the conductivity was improved by the densification of LLZ sample. The cell showed good cycle stability at 1/50 C rate. The specific charge capacity of the cathode active material was 168 mAh g-1 and the discharge capacity was 169 mAh g-1 after 20 cycles. LFP has a theoretical capacity of 170 mAh g-1, and the composite cathode achieved almost full capacity of LFP. The coulomb efficiency was approximately one, and side reactions were not observed. The LFP/LLZ/Li cell showed high stability against Li metal anode and good cycle stability. [1] R. Murugan, V. Thangadurai and W. Weppner, Angew. Chem. Int. Ed. 46, 7778 (2007). [2] M.P. Pechini, US Patent no. 3,330,697, July 11, 1967.

Ni-Fe-Mg alloy nanoparticle catalysts for hydrogen production H. Mitani1,2，Y. Xu2，T. Hirano2 and M. Demura2 1 Tokyo University of Science 2 National Institute for Materials Science

In recent years, hydrogen has attracted much attention as a clean energy carrier. Developing low-cost and highly-efficient catalysts is a great challenge. Nano-sized Ni-Fe-based intermetallic compounds are promising catalyst with high activity and resistance to carbon deposition.

In this study we fabricated Ni-Fe-Mg alloy nanoparticles by thermal plasma method, and examined their catalytic properties for methanol decomposition. We found that Ni-15Fe-13Mg nanoparticle catalysts showed higher activity and stability for methanol decomposition compared with Ni and Ni-25Fe nanoparticle catalysts. Furthermore, the amount of carbon deposition over Ni-15Fe-13Mg nanoparticle catalysts was significantly lower compared to Ni-25Fe nanoparticle catalysts.

Enhancement in efficiency and optoelectronic quality of perovskite PV materials following MACl ambient annealing D. B. Khadka, Y. Shirai, M. Yanagida and K. Miyano Global Research Center for Environment and Energy based on Nanomaterials Science (GREEN), National Institute for Materials Science We present an approach toward enhancement in efficiency of lead halide based perovskite photovoltaic (PV) materials via post deposition treatment (PDT) of perovskite film in methyl ammonium chloride (MACl). Perovskite films annealed in MACl exhibit significantly improved film quality with enhanced crystallinity, grain morphology, surface electronic states and photoluminescence intensity, which resulted in more efficient devices with the best efficiency of ~15.1% with narrow distribution and improved stability compared to devices without MACl PDT. The analysis of optoelectronic characteristics of devices revealed the mitigation of defect states, reduced defect density, improvement in carrier profile and passivation of recombination activities, which lead to improved optoelectronic qualities of perovskite thin films. PDT in MACl ambient is thus a significant step forward toward viable PV devices. A study to gain the insight of the microscopic mechanism of the PDT is underway.

Highly enhanced electrocatalytic evolution of hydrogen at insulating boron nitride modified gold G. Elumalai1, H. C. Dinh2, H. Noguchi1,2 and K. Uosaki1,2 1 Global Research Center for Environment and Energy Based on Nanomaterials Science (GREEN), National Institute for Materials Science 2 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science Hydrogen is the cleanest fuel and represents one of the most promising energy sources. The finding of the efficient electrocatalysts to reduce the overpotential of the hydrogen evolution reaction (HER) is essential for a variety of electrochemical processes, fuel cells, and solar H2 production (water splitting). Numerous theoretical and experimental studies have been reported claiming that boron nitride (BN) can adsorb hydrogen better than carbon nanotubes (CNTs). Here, we demonstrate that electrochemical HER proceeds very efficiently at Au electrodes modified with insulating BN nanosheets (BNNS). This combination has been reported as an efficient electrocatalyst for oxygen reduction reaction. The highest efficiency was achieved at Au electrode modified with the smallest BNNS (0.1-0.22 µm), where overpotentials were only 30 mV and 40 mV larger than those at Pt electrode, at 5 mAcm­2 and at 15 mAcm­2, respectively. Theoretical evaluation suggests that some of the edge atoms provide energetically favored sites for adsorbed hydrogen, i.e., the intermediate state of HER. This study opens a new route for developing HER electrocatalysts.

P1-09

P1-10

—29—

Day 1

Academ

ic Poster Presentation

High stability of low-temperature processed perovskite solar cells with sputtered inorganic layers Y. Shirai, M. Yanagida, B. D. Khadka and K. Miyano Global Research Center for Environment and Energy based on Nanomaterials Science (GREEN), National Institute for Materials Science

Low-temperature processed perovskite solar cells raised immense interest owing to their ease of fabrication and potential for mass production on flexible substrates. However, their stability remains one of the most vulnerable aspects in the perovskite-based photovoltaic technologies. Our earlier studies revealed long-term stability over 6 months if stored in the ambient conditions. However, when cells were kept under continuous illumination of 1 sun, the degradation was very rapid for p-i-n ITO/PEDOT:PSS/Perovskite/PCBM/Ag structures. In one study, the power conversion efficiency (PCE) decreased from ~ 13% to less than 5% in 24 hours even with a glass encapsulation. Here, we report the improved stability of p-i-n perovskite solar cells using inorganic interface layers. The replacement of the PEDOT:PSS layer in the p-i-n configuration with a sputtered NiO layer resulted in the continuous operation over 500 hours at the maximum power point tracking (MPPT) conditions of 1 sun at 85 °C, while maintaining over 85% of the initial PCE.

Surface chemical state of (La,Sr)CoO3 for cathode of solid oxide fuel cells S. Miyoshi and K. Uosaki Center for Green Research on Energy and Environmental Materials, National Institute for Materials Science Mixed-conducting oxides with sufficient oxide-ion and electronic conductivity facilitate cathode reactions at the surface to provide extended reaction zone and thereby high cathode performance. Therefore the surface properties of such mixed-conducting cathodes have a significant impact on the cathode reaction activity. Recently it has been recognized that a perovskite oxide (La,Sr)CoO3 (LSC), which is known as a mixed-conducting cathode material with high activity, undergoes formation of an altered surface region with enriched Sr, while its properties, driving force of formation and impact on the cathode reactions have not been clarified. The present study is devoted to the surface chemistry of LSC with a focus on the altered surface region.

The Sr 3p XPS spectra of dense La0.6Sr0.4CoO3 specimens heat-treated in oxygen atmosphere indicate the emergence of a peak other than the bulk LSC, which is ascribed to the altered surface region. The lateral uniformity of the altered surface region can account for the variation in intensities of the bulk and surface Sr components observed in the depth-resolved measurements, which is consistent with the absence of macroscopic precipitates in electron microscopy images. The results implicate that the growth of the altered surface layer upon annealing is responsible for the reported degradation of LSC cathodes.

Substitution effect on the thermoelectric properties in K8Ga8Si38 S. K. Singh1, Y. Isoda2 and M. Imai1 1 Research Center for Functional Materials, National Institute for Materials Science 2 Center for Green Research on Energy and Environmental Materials, National Institute for Materials Science The Al and Zn substitution effect for Ga atoms on thermoelectric properties has been investigated in ternary Si clathrate K8Ga8Si38 at temperatures ranging from 10 to 320 K. For this purpose, the quaternary Si clathrate K8-GaxAlySi46-x-y and K8-GaxZnzSi46-x-z and their end members, K8-GaxSi46-x, K8-AlySi46-y, and K8-ZnzSi46-z, were synthesized. The substituted Al content is larger than a half of Ga content of K8-

GaxSi46-x, y ~ 4.6, while the substituted Zn content is small, z ~ 0.8. The lattice constant increases with the Al content y and decreases with the Zn content z. Electrical resistivity measurements revealed that the conduction mechanism changes from the variable range hopping to the metallic conduction with increasing y and z. The Seebeck coefficient S has the negative values for all the samples, indicating that dominant carriers are electrons. The value of thermal conductivity varied slightly around the average value of 1.5 W/Km at 300 K. K7.5Ga4.8Al3.0Si38.7 has the largest value of power factor among all the samples, leading to the largest value of thermoelectric dimensionless figure of merit ZT, 0.021 at 320 K. This value is approximately four times larger than that of ternary Si clathrates K7.4Ga7.7Si38.9.

P1-11

P1-12

—30—

Day 1

Academ

ic Poster Presentation

High stability of low-temperature processed perovskite solar cells with sputtered inorganic layers Y. Shirai, M. Yanagida, B. D. Khadka and K. Miyano Global Research Center for Environment and Energy based on Nanomaterials Science (GREEN), National Institute for Materials Science

Low-temperature processed perovskite solar cells raised immense interest owing to their ease of fabrication and potential for mass production on flexible substrates. However, their stability remains one of the most vulnerable aspects in the perovskite-based photovoltaic technologies. Our earlier studies revealed long-term stability over 6 months if stored in the ambient conditions. However, when cells were kept under continuous illumination of 1 sun, the degradation was very rapid for p-i-n ITO/PEDOT:PSS/Perovskite/PCBM/Ag structures. In one study, the power conversion efficiency (PCE) decreased from ~ 13% to less than 5% in 24 hours even with a glass encapsulation. Here, we report the improved stability of p-i-n perovskite solar cells using inorganic interface layers. The replacement of the PEDOT:PSS layer in the p-i-n configuration with a sputtered NiO layer resulted in the continuous operation over 500 hours at the maximum power point tracking (MPPT) conditions of 1 sun at 85 °C, while maintaining over 85% of the initial PCE.

Role of carrier transport in hole transport layer on photovoltaic properties of perovskite solar cells M. Yanagida1, L. Shimomoto1,2, Y. Shirai1 and K. Miyano1 1 Global Reserch Center for Environment and Energy based on Nanomaterials Science (GREEN), National Institute for Materials Science 2 Hulman Institute of Technology (NIMS Internship) Perovskite solar cells (PVKSCs) based on methyl ammonium lead halide (CH3NH3PbI3) have been intensively investigated because of their high efficiency, derived from the large open circuit voltage and the strong visible-light absorption. We have demonstrated that the p-i-n structure PVKSCs of tin-doped indium oxide/poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS)/ perovskite/phenyl-C61-butyric-acid-methyl ester/Ag show ideal diode properties and high reproducibility [1,2]. In this research, a NiO thin layer was introduced in place of PEDOT:PSS because the thickness of NiO could be controlled by the sputtering time. Thin NiO was used for PVKSCs because of the low mobility of NiO, ca. 0.1 – 0.6 cm2V-1s-1. The role of NiO as the hole transport layer on the photovoltaic properties of PVKSCs was investigated by changing the thickness of NiO. [1] K. Miyano, N. Tripathi, M. Yanagida, Y. Shirai, Acc. Chem. Res. 49, 303 (2016). [2] K. Miyano, M. Yanagida, N. Tripathi, Y. Shirai, J. Phys. Chem. Lett. 7, 2240 (2016).

Surface chemical state of (La,Sr)CoO3 for cathode of solid oxide fuel cells S. Miyoshi and K. Uosaki Center for Green Research on Energy and Environmental Materials, National Institute for Materials Science Mixed-conducting oxides with sufficient oxide-ion and electronic conductivity facilitate cathode reactions at the surface to provide extended reaction zone and thereby high cathode performance. Therefore the surface properties of such mixed-conducting cathodes have a significant impact on the cathode reaction activity. Recently it has been recognized that a perovskite oxide (La,Sr)CoO3 (LSC), which is known as a mixed-conducting cathode material with high activity, undergoes formation of an altered surface region with enriched Sr, while its properties, driving force of formation and impact on the cathode reactions have not been clarified. The present study is devoted to the surface chemistry of LSC with a focus on the altered surface region.

The Sr 3p XPS spectra of dense La0.6Sr0.4CoO3 specimens heat-treated in oxygen atmosphere indicate the emergence of a peak other than the bulk LSC, which is ascribed to the altered surface region. The lateral uniformity of the altered surface region can account for the variation in intensities of the bulk and surface Sr components observed in the depth-resolved measurements, which is consistent with the absence of macroscopic precipitates in electron microscopy images. The results implicate that the growth of the altered surface layer upon annealing is responsible for the reported degradation of LSC cathodes.

Substitution effect on the thermoelectric properties in K8Ga8Si38 S. K. Singh1, Y. Isoda2 and M. Imai1 1 Research Center for Functional Materials, National Institute for Materials Science 2 Center for Green Research on Energy and Environmental Materials, National Institute for Materials Science The Al and Zn substitution effect for Ga atoms on thermoelectric properties has been investigated in ternary Si clathrate K8Ga8Si38 at temperatures ranging from 10 to 320 K. For this purpose, the quaternary Si clathrate K8-GaxAlySi46-x-y and K8-GaxZnzSi46-x-z and their end members, K8-GaxSi46-x, K8-AlySi46-y, and K8-ZnzSi46-z, were synthesized. The substituted Al content is larger than a half of Ga content of K8-

GaxSi46-x, y ~ 4.6, while the substituted Zn content is small, z ~ 0.8. The lattice constant increases with the Al content y and decreases with the Zn content z. Electrical resistivity measurements revealed that the conduction mechanism changes from the variable range hopping to the metallic conduction with increasing y and z. The Seebeck coefficient S has the negative values for all the samples, indicating that dominant carriers are electrons. The value of thermal conductivity varied slightly around the average value of 1.5 W/Km at 300 K. K7.5Ga4.8Al3.0Si38.7 has the largest value of power factor among all the samples, leading to the largest value of thermoelectric dimensionless figure of merit ZT, 0.021 at 320 K. This value is approximately four times larger than that of ternary Si clathrates K7.4Ga7.7Si38.9.

P1-13

P1-14

—31—

Day 1

Academ

ic Poster Presentation

Potential-dependent double resonance sum frequency generation spectroscopy to probe electronic state at solid/liquid Interface S. Yang1, H. Noguchi2,3 and K. Uosaki1,2,3 1 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science 2 Center for Green Research on Energy and Environmental Materials, National Institute for Materials Science 3 Global Research Center for Environment and Energy based on Nanomaterials Science (GREEN), National Institute for Materials Science

In order to understand the mechanism and improve the efficiency of processes at solid surfaces in liquid phase such as electrochemical reactions, it is essential to obtain in situ structural information at solid/liquid interfaces. Although many useful techniques to obtain geometric and molecular information at solid/liquid interfaces have been developed, in situ techniques to probe the electronic structure at solid/liquid interfaces are still limited by the difficulty in determining it in liquid. In the present study, we demonstrate that the potential-dependent IR/visible double resonance sum frequency generation spectroscopy can be an in situ probe of electronic states at solid/liquid interface. We used CO adsorbed on Pt electrodes in acid solution as a model system [1], since CO-Pt/electrolyte interface is the simplest and most studied model system for fundamental studies of many important electrocatalytic reactions. [1] S. Yang, H. Noguchi, K. Uosaki, J. Phys. Chem. C 119 (2015) 26056-26063.

Independent influence of cell adhesion and spreading on differentiation of human mesenchymal stem cells X. Wang1,2, N. Kawazoe1 and G.Chen1,2 1 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science 2 Department of Materials Science and Engineering, University of Tsukuba

As the basic behaviors of anchorage-dependent cells, adhesion and spreading play crucial roles in regulating cell functions including migration, proliferation and differentiation. However, it is unclear whether cell adhesion or spreading is the predominant factor to influence cell functions because it has been difficult to separate the two effects by conventional cell culture using uniform surfaces. To discriminate the influence of adhesion and spreading on cell functions, the micropatterning technology is needed because conventional ECM coating methods result in parallel changes of cell adhesion and spreading areas. In this study, the independent influence of adhesion and spreading area on differentiation of human mesenchymal stem cells (MSCs) was investigated by using micropatterning method to precisely control cell adhesion and spreading areas. A series of micropatterns having the same size and different cell adhesion area or having different size and the same cell adhesion area were prepared by UV photolithography for cell culture. The formation of focal adhesions and the cytoskeletal organization in the cells cultured on the micropatterns were investigated to evaluate cell adhesion and spreading state. The mechanical properties of micropatterned cells and the transduction of cytoskeletal force into nucleus were characterized to reveal the mechanism of the influence. The osteogenic and adipogenic differentiation of MSCs were investigated to show how the adhesion and spreading areas independently influenced cell fate determination.

TiN coated ceramic fiber wool for photothermal water heating and vaporization K. Manpreet1,2, S. Ishii1,3, S. L. Shinde1,3 and T. Nagao1,2,3 1 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science 2 Department of Condensed Matter Physics, Hokkaido University 3 Core Research for Evolutional Science and Technology (CREST), Japan Science and Technology Agency We developed a composite material where titanium nitride nanoparticles (TiN NPs) are immobilized to ceramic fiber wools (CWs). The composite sample has improved photothermal performance compared to TiN NPs dispersed into water. The composite structure effectively keeps water supply to the surfaces by microfibers capillary force. The wide optical absorption range and localized plasmonic effect of TiN NPs along the microfibers of the CWs results in a solar thermal conversion efficiency of >80% at only 100 mWcm-2 of illumination irradiance. This reusable and portable structure can be used for solar water distillation and solar water heating without losing the nanoparticles into water.

P1-15

P1-16

—32—

Day 1

Academ

ic Poster Presentation

Potential-dependent double resonance sum frequency generation spectroscopy to probe electronic state at solid/liquid Interface S. Yang1, H. Noguchi2,3 and K. Uosaki1,2,3 1 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science 2 Center for Green Research on Energy and Environmental Materials, National Institute for Materials Science 3 Global Research Center for Environment and Energy based on Nanomaterials Science (GREEN), National Institute for Materials Science

In order to understand the mechanism and improve the efficiency of processes at solid surfaces in liquid phase such as electrochemical reactions, it is essential to obtain in situ structural information at solid/liquid interfaces. Although many useful techniques to obtain geometric and molecular information at solid/liquid interfaces have been developed, in situ techniques to probe the electronic structure at solid/liquid interfaces are still limited by the difficulty in determining it in liquid. In the present study, we demonstrate that the potential-dependent IR/visible double resonance sum frequency generation spectroscopy can be an in situ probe of electronic states at solid/liquid interface. We used CO adsorbed on Pt electrodes in acid solution as a model system [1], since CO-Pt/electrolyte interface is the simplest and most studied model system for fundamental studies of many important electrocatalytic reactions. [1] S. Yang, H. Noguchi, K. Uosaki, J. Phys. Chem. C 119 (2015) 26056-26063.

A mild polymerization approach for single mammalian cell encapsulation J. Yang, N. Kawazoe and G. Chen Tissue Regeneration Materials Group, International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science

Single mammalian cell encapsulation has important applications in biomedicine, biotechnology, and bioelectronics. Previous studies have been mainly focused on physical approaches. For example, adsorption of amphiphilic polymers or polyelectrolytes on the cell surface to form polymer layers through hydrophobic, electrostatic or biological interaction. Unfortunately, the short sustenance period of encapsulation and high cytotoxicity of most of the used polyelectrolytes should not be ignored. Moreover, the loose structure of polymer layer has some difficulties to meet the protective and immunosuppression requirements. In this study, a new strategy for single mammalian cell encapsulation with a cross-linked network of polymer shell under mild conditions was designed. Three kinds of mammalian cells, HeLa cells, hMSCs, and BACs were encapsulated through a two-step process, surface acryloylation and in situ polymerization. High viability of encapsulated cells was maintained. The polymer shell was proven to be effective for prevention of macro-entities/molecules penetration and allowing for free exchange of small molecules. This work should provide a new method for single mammalian cell encapsulation which is of great importance for cell therapy, cell delivery, cell-based sensors, as well as single cell level biology studies.

Independent influence of cell adhesion and spreading on differentiation of human mesenchymal stem cells X. Wang1,2, N. Kawazoe1 and G.Chen1,2 1 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science 2 Department of Materials Science and Engineering, University of Tsukuba

As the basic behaviors of anchorage-dependent cells, adhesion and spreading play crucial roles in regulating cell functions including migration, proliferation and differentiation. However, it is unclear whether cell adhesion or spreading is the predominant factor to influence cell functions because it has been difficult to separate the two effects by conventional cell culture using uniform surfaces. To discriminate the influence of adhesion and spreading on cell functions, the micropatterning technology is needed because conventional ECM coating methods result in parallel changes of cell adhesion and spreading areas. In this study, the independent influence of adhesion and spreading area on differentiation of human mesenchymal stem cells (MSCs) was investigated by using micropatterning method to precisely control cell adhesion and spreading areas. A series of micropatterns having the same size and different cell adhesion area or having different size and the same cell adhesion area were prepared by UV photolithography for cell culture. The formation of focal adhesions and the cytoskeletal organization in the cells cultured on the micropatterns were investigated to evaluate cell adhesion and spreading state. The mechanical properties of micropatterned cells and the transduction of cytoskeletal force into nucleus were characterized to reveal the mechanism of the influence. The osteogenic and adipogenic differentiation of MSCs were investigated to show how the adhesion and spreading areas independently influenced cell fate determination.

TiN coated ceramic fiber wool for photothermal water heating and vaporization K. Manpreet1,2, S. Ishii1,3, S. L. Shinde1,3 and T. Nagao1,2,3 1 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science 2 Department of Condensed Matter Physics, Hokkaido University 3 Core Research for Evolutional Science and Technology (CREST), Japan Science and Technology Agency We developed a composite material where titanium nitride nanoparticles (TiN NPs) are immobilized to ceramic fiber wools (CWs). The composite sample has improved photothermal performance compared to TiN NPs dispersed into water. The composite structure effectively keeps water supply to the surfaces by microfibers capillary force. The wide optical absorption range and localized plasmonic effect of TiN NPs along the microfibers of the CWs results in a solar thermal conversion efficiency of >80% at only 100 mWcm-2 of illumination irradiance. This reusable and portable structure can be used for solar water distillation and solar water heating without losing the nanoparticles into water.

P1-17

P1-18

—33—

Day 1

Academ

ic Poster Presentation

Direct observation of phase separation between superconductor and insulator on the single crystals of KxFe2-ySe2 M. Tanaka1, H. Takeya1 and Y. Takano1,2 1 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science 2 University of Tsukuba

Layered iron selenide FeSe has the simplest crystal structure among iron-based superconductors. It shows superconductivity with a transition temperature Tc ~ 10 K [1]. When potassium is intercalated between the FeSe layers, the Tc increases up to 30-48 K. However, there was no clear relationship between the surface morphology, compositional ratio and crystal structure of FeSe, mainly due to its intrinsic phase separation. In this study, we directly reveal the relation among those parameters in single crystals with Tc onset around 44 K using transmission electron microscopy combined with a micro-sampling technique. Island-like parts on the surface of the crystals clearly show diffraction spots identical to those of KxFe2Se2 with perfect FeSe layers, resulting in a higher Tc onset of 44 K. The appearance of superconductivity in the K-Fe-Se system is discussed on the basis of in situ X-ray diffraction measurements [2]. [1] Y. Mizuguchi et al., Appl. Phys. Lett. 93, 152505 (2008). [2] M. Tanaka et al. J. Phys. Soc. Jpn. 85, 044710 (2016).

Metallic nickel-iron bi-metal pyrite eletrocatalyst for oxygen evolution reactions M. Zhou1,2, Q. Weng1, Y. Bando1 and D. Golberg1

1 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science 2 College of Physical Science and Technology, Yangzhou University

In electrochemical production of hydrogen fuels from water splitting, the development of efficient and economic catalysts for oxygen evolution reaction (OER) is still challenging. This is because the OER process usually involves multiple electron-transfer and reaction steps, and results in large overpotentials and more energy loss. Thus, successful design of highly efficient and economic OER eletrocatalysts significant for improving the energy conversion efficiency and reducing the cost of water splitting procedure. In this work, a novel Ni-Fe bi-metal pyrite (disulfide) nanostructure has been designed, characterized and investigated for this important OER catalyst application. The tailored Ni-Fe pyrite catalyst exhibited a very low overpotential of 252 mV at a current density of 10 mA/cm², which is among the best non-precious metal OER catalysts ever reported. The measured low Tafel slop (43.2 mV/decade) and activation energy (15.7 kJ/mol) provide reasonable explanations for the performance of catalysts based on the Ni-Fe bi-metal pyrite structure.

High efficiency silicon hybrid solar cells via energy management by employing nanocrystalline Si quantum dots and Si nanoholes

T. Subramani1, J. Chen1, W. Jevasuwan1 and N. Fukata1,2

1 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science 2 Institute of Applied Physics, University of Tsukuba

By employing nanocrystalline Si quantum dots (nc-Si QDs) and modified silicon nanoholes (m-SiNH), we have achieved 13.73% efficiency in Si/PEDDOT:PSS hybrid solar cells. The efficiency enhancement is based on the energy transfer phenomenon of nc-Si QDs to make an effective exciton collection efficiency in the m-SiNH/PEDOT:PSS region for excellent carrier separation. We experimentally demonstrate high-efficiency organic–inorganic hybrid solar cells, m-SiNH/PEDOT:PSS with nc-Si QDs. Such Si/PEDOT:PSS hybrid solar cells exhibit high Jsc of 37.85 mA/cm2, Voc of 0.595V, FF of 60%, and thus power conversion efficiency (PCE) of 13.73%. Higher short-circuit density and open-circuit voltage are obtained owing to energy transfer management and optimization of surface defects. The organic-inorganic hybrid solar cells obtained here hold the promise for developing energy transfer managing, inexpensive and efficient photovoltaic cells in the future.

Figure. Schematic diagram and JV curve of a hybrid solar cell

P1-19

P1-20

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Day 1

Academ

ic Poster Presentation

Direct observation of phase separation between superconductor and insulator on the single crystals of KxFe2-ySe2 M. Tanaka1, H. Takeya1 and Y. Takano1,2 1 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science 2 University of Tsukuba

Layered iron selenide FeSe has the simplest crystal structure among iron-based superconductors. It shows superconductivity with a transition temperature Tc ~ 10 K [1]. When potassium is intercalated between the FeSe layers, the Tc increases up to 30-48 K. However, there was no clear relationship between the surface morphology, compositional ratio and crystal structure of FeSe, mainly due to its intrinsic phase separation. In this study, we directly reveal the relation among those parameters in single crystals with Tc onset around 44 K using transmission electron microscopy combined with a micro-sampling technique. Island-like parts on the surface of the crystals clearly show diffraction spots identical to those of KxFe2Se2 with perfect FeSe layers, resulting in a higher Tc onset of 44 K. The appearance of superconductivity in the K-Fe-Se system is discussed on the basis of in situ X-ray diffraction measurements [2]. [1] Y. Mizuguchi et al., Appl. Phys. Lett. 93, 152505 (2008). [2] M. Tanaka et al. J. Phys. Soc. Jpn. 85, 044710 (2016).

Novel diamond anvil cell for electrical measurements using boron-doped metallic diamond electrodes R. Matsumoto1,2 and Y. Takano1,2 1 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science 2 Graduate School of Pure and Applied Sciences, University of Tsukuba

Superconductivity at 200 K under 150 GPa in H2S was discovered by resistivity measurements using a diamond anvil cell (DAC) [1]. If we could measure the resistivity under pressures above 300 GPa, superconductivity at room temperature in hydrogen could be observed. However, the associated resistivity measurement is difficult because of the necessity for small sample size (< 100 μm) and the deformation of electrodes by compression. The development of an innovative technique is required for measurements under high pressure.

In this study, we have developed a new DAC for resistivity measurements under high pressure [2]. Its key component is heavily boron-doped metallic diamond, which is used as electrodes. The diamond electrodes were fabricated by combining microwave plasma chemical vapor deposition and electron beam lithography. Resistivity measurements can be easily performed by the DAC equipped with microscale boron-doped diamond electrodes. [1] A.P. Drozdov et al.: Nature, 525, 73 (2015). [2] R. Matsumoto et al.: Rev. Sci. Instrum. 87, 076103 (2016).

Metallic nickel-iron bi-metal pyrite eletrocatalyst for oxygen evolution reactions M. Zhou1,2, Q. Weng1, Y. Bando1 and D. Golberg1

1 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science 2 College of Physical Science and Technology, Yangzhou University

In electrochemical production of hydrogen fuels from water splitting, the development of efficient and economic catalysts for oxygen evolution reaction (OER) is still challenging. This is because the OER process usually involves multiple electron-transfer and reaction steps, and results in large overpotentials and more energy loss. Thus, successful design of highly efficient and economic OER eletrocatalysts significant for improving the energy conversion efficiency and reducing the cost of water splitting procedure. In this work, a novel Ni-Fe bi-metal pyrite (disulfide) nanostructure has been designed, characterized and investigated for this important OER catalyst application. The tailored Ni-Fe pyrite catalyst exhibited a very low overpotential of 252 mV at a current density of 10 mA/cm², which is among the best non-precious metal OER catalysts ever reported. The measured low Tafel slop (43.2 mV/decade) and activation energy (15.7 kJ/mol) provide reasonable explanations for the performance of catalysts based on the Ni-Fe bi-metal pyrite structure.

High efficiency silicon hybrid solar cells via energy management by employing nanocrystalline Si quantum dots and Si nanoholes

T. Subramani1, J. Chen1, W. Jevasuwan1 and N. Fukata1,2

1 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science 2 Institute of Applied Physics, University of Tsukuba

By employing nanocrystalline Si quantum dots (nc-Si QDs) and modified silicon nanoholes (m-SiNH), we have achieved 13.73% efficiency in Si/PEDDOT:PSS hybrid solar cells. The efficiency enhancement is based on the energy transfer phenomenon of nc-Si QDs to make an effective exciton collection efficiency in the m-SiNH/PEDOT:PSS region for excellent carrier separation. We experimentally demonstrate high-efficiency organic–inorganic hybrid solar cells, m-SiNH/PEDOT:PSS with nc-Si QDs. Such Si/PEDOT:PSS hybrid solar cells exhibit high Jsc of 37.85 mA/cm2, Voc of 0.595V, FF of 60%, and thus power conversion efficiency (PCE) of 13.73%. Higher short-circuit density and open-circuit voltage are obtained owing to energy transfer management and optimization of surface defects. The organic-inorganic hybrid solar cells obtained here hold the promise for developing energy transfer managing, inexpensive and efficient photovoltaic cells in the future.

Figure. Schematic diagram and JV curve of a hybrid solar cell

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ic Poster Presentation

p-Zinc oxide/n-silicon nanowire heterojunctions for optoelectronics K. Pradel and N. Fukata

International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science In recent years, zinc oxide has become a popular material for electronics and optoelectronics research owing to its wide direct bandgap, low cost, and ease of synthesizing nanostructures. However, one issue that has held it back from widespread commercial implementation is the absence of a stable p-type dopant. Recently it was found that antimony (Sb) can dope ZnO with a stability of over 3 years. This is achieved through a low temperature hydrothermal method, allowing for growth on flexible electronics. This material has been demonstrated for applications in mechanical energy harvesting, piezotronics, and photodetection. In order to broaden the applicability of this new material it is important to show how it can be integrated with other semiconductors. Silicon is a prime candidate for this as it is the basis for much of our modern technology. By using Si nanowires formed via nanoimprint lithography as a base, high surface area to volume ratio heterojunction nanostructures can be grown. We have shown that these devices can be used as UV photodetectors with a responsivity of over 1.0 A/W and a response time of less than 10 ms. Other optoelectronic applications such as LEDs are also being investigated, as other research has shown that a ZnO/Si heterojunction is capable of white light emission.

Tuning band gap of h-BN through chemical functionalization Q. Weng, Y. Bando and D. Golberg International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science

Chemical and physical functionalizations of materials are important ways for tailoring their properties, which may result in brand-new applications. h-BN bulk material and its nanostructures usually exhibit wide band gaps (~5.5 eV). To date, they have been widely used in anti-oxidation coatings/containers/crucibles; in polymer fillers to enhance the matrix thermal conductivity, while maintaining its electrical insulation; in cosmetics, etc. We show that the band gap of h-BN can be tuned in a wide range through proper chemical functionalizations. The resultant materials exhibit many interesting properties valuable for various applications. We have synthesized edge-exposed and –OH terminated BN porous sheets via introducing the in-plane growth inhibitors during the reactions. Band gap of the material narrowed compared with pure h-BN. It is useful as a TiO2 visible light sensitizer for pollutant degenerations in water. Besides, we have also narrowed the band gap of h-BN through both edge hydroxylation and in-plane oxygen substitution of nitrogen atoms. The resultant yellowish BN shows an optical band gap of ~2.1 eV. These results open new fields for h-BN material research and exploration.

Amorphous P@graphene paper for ultrastable sodium-ion batteries C. Zhang1,2, X. Wang3, Q. Weng1, Y. Bando1, J. Tang1 and D. Golberg1,2 1 National Institute for Materials Science 2 University of Tsukuba 3 School of Sciences, Beijing Jiaotong University

As a very promising anode material for future sodium-ion batteries (SIBs), phosphorus (P) has lately gained a lot of interest owing to its amazing theoretical capacity of 2596 mAh/g. The core disadvantage of a P anode is its low conductivity and rapid structural degradation caused by the huge volume expansion (>490%) during cycling.

We redesigned the anode structure by using an innovative methodology and fabricated a flexible paper made of nitrogen-doped graphene and amorphous phosphorus that effectively solves this problem. The restructured anode exhibits an ultra-stable cyclic performance and excellent rate capability (809 mAh/g at 1500 mA/g). The excellent structural integrity of the novel anode was further visualized during cycling by using in situ experiments inside a high-resolution transmission electron microscope, and the associated sodiation/desodiation mechanism was also thoroughly studied. Finally, density functional theory calculations confirmed that the N-doped graphene not only contributes to an increase in capacity for sodium storage, but is also beneficial for improving the rate performance of the anode.

P1-23

P1-24

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Day 1

Academ

ic Poster Presentation

p-Zinc oxide/n-silicon nanowire heterojunctions for optoelectronics K. Pradel and N. Fukata

International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science In recent years, zinc oxide has become a popular material for electronics and optoelectronics research owing to its wide direct bandgap, low cost, and ease of synthesizing nanostructures. However, one issue that has held it back from widespread commercial implementation is the absence of a stable p-type dopant. Recently it was found that antimony (Sb) can dope ZnO with a stability of over 3 years. This is achieved through a low temperature hydrothermal method, allowing for growth on flexible electronics. This material has been demonstrated for applications in mechanical energy harvesting, piezotronics, and photodetection. In order to broaden the applicability of this new material it is important to show how it can be integrated with other semiconductors. Silicon is a prime candidate for this as it is the basis for much of our modern technology. By using Si nanowires formed via nanoimprint lithography as a base, high surface area to volume ratio heterojunction nanostructures can be grown. We have shown that these devices can be used as UV photodetectors with a responsivity of over 1.0 A/W and a response time of less than 10 ms. Other optoelectronic applications such as LEDs are also being investigated, as other research has shown that a ZnO/Si heterojunction is capable of white light emission.

Synthesis of mercury-based high-Tc superconductors using CsCl catalyst H. Hara1,2, M. Tanaka2, H. Takeya2 and Y. Takano1,2

1 Graduated School of Pure and Applied Sciences, University of Tsukuba 2 Nano Frontier Superconducting Materials Group, International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science

Among high-Tc cuprate superconductors, HgBa2Ca2Cu3O8+ (Hg1223) is a promising material for both fundamental research and applications because of the highest Tc of 135 K under ambient pressure. However, the synthesis of Hg1223 is difficult and slow due to the high volatility of Hg.

In this study, a single phase of Re-doped Hg1223 has been successfully synthesized by adding a small amount of CsCl flux. The single-phase sample exhibited superconductivity around 133 K, which is the highest Tc in Re-doped Hg1223 systems. Furthermore, powder X-ray diffraction measurement revealed that the new method yielded almost single phase of Hg1223 in a very short time, compared to conventional methods. These results indicate that our method can be a milestone in the synthesis of Hg-based cuprate superconductors.

Tuning band gap of h-BN through chemical functionalization Q. Weng, Y. Bando and D. Golberg International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science

Chemical and physical functionalizations of materials are important ways for tailoring their properties, which may result in brand-new applications. h-BN bulk material and its nanostructures usually exhibit wide band gaps (~5.5 eV). To date, they have been widely used in anti-oxidation coatings/containers/crucibles; in polymer fillers to enhance the matrix thermal conductivity, while maintaining its electrical insulation; in cosmetics, etc. We show that the band gap of h-BN can be tuned in a wide range through proper chemical functionalizations. The resultant materials exhibit many interesting properties valuable for various applications. We have synthesized edge-exposed and –OH terminated BN porous sheets via introducing the in-plane growth inhibitors during the reactions. Band gap of the material narrowed compared with pure h-BN. It is useful as a TiO2 visible light sensitizer for pollutant degenerations in water. Besides, we have also narrowed the band gap of h-BN through both edge hydroxylation and in-plane oxygen substitution of nitrogen atoms. The resultant yellowish BN shows an optical band gap of ~2.1 eV. These results open new fields for h-BN material research and exploration.

Amorphous P@graphene paper for ultrastable sodium-ion batteries C. Zhang1,2, X. Wang3, Q. Weng1, Y. Bando1, J. Tang1 and D. Golberg1,2 1 National Institute for Materials Science 2 University of Tsukuba 3 School of Sciences, Beijing Jiaotong University

As a very promising anode material for future sodium-ion batteries (SIBs), phosphorus (P) has lately gained a lot of interest owing to its amazing theoretical capacity of 2596 mAh/g. The core disadvantage of a P anode is its low conductivity and rapid structural degradation caused by the huge volume expansion (>490%) during cycling.

We redesigned the anode structure by using an innovative methodology and fabricated a flexible paper made of nitrogen-doped graphene and amorphous phosphorus that effectively solves this problem. The restructured anode exhibits an ultra-stable cyclic performance and excellent rate capability (809 mAh/g at 1500 mA/g). The excellent structural integrity of the novel anode was further visualized during cycling by using in situ experiments inside a high-resolution transmission electron microscope, and the associated sodiation/desodiation mechanism was also thoroughly studied. Finally, density functional theory calculations confirmed that the N-doped graphene not only contributes to an increase in capacity for sodium storage, but is also beneficial for improving the rate performance of the anode.

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Academ

ic Poster Presentation

Low doses of TiO2-PEG nanoparticles stimulate proliferation of hepatocyte cells Q. Sun1,2 and A. Taniguchi1,2 1 Cellular Functional Nanobiomaterials Group, Research Center for Functional Materials, National Institute for Materials Science 2 Graduate School of Advanced Science and Engineering, Waseda University

TiO2 nanoparticles (TiO2 NPs) are utilized in a wide variety of industrial and consumer products. However, the widespread use of TiO2 NPs has raised concerns about potential risks to human health. Many researchers have examined the cellular responses to exposure to high doses of NPs, however, few NPs were deposited in the organs. The cellular responses to exposure to low doses of NPs remain unclear. In this work, we describe the effect of low concentrations of 100-nm polyethylene glycol–modified TiO2 nanoparticles (TiO2-PEG NPs) on HepG2 hepatocellular carcinoma cell line. The results showed that proliferation of HepG2 cells increased significantly when the cells were exposed to low doses (<100 µg/mL) of TiO2-PEG NPs, which was further confirmed by cell counting experiments and cell cycle assays. Besides, exposure to lower doses of NPs led to less cellular uptake, which in turn decreased cytotoxicity. Finally, aggregation of HGFRs on the surface of cell membrane confirmed TiO2-PEG NPs have the potential to promote proliferation of HepG2 cells. In a conclusion, the results suggest that NPs not only exhibit cytotoxicity but also affect cellular responses.

Synthesis and performance improvement of iron chalcogenide superconductors by electrochemical technique A. Yamashita1,2, M. Tanaka1 and Y. Takano1,2 1 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science 2 Graduate School of Pure and Applied Sciences, University of Tsukuba

Superconductivity is a phenomenon of exactly zero electrical resistance occurring in certain materials when cooled below a critical temperature (Tc). The research aims to fabricate the superconducting wire for power cable and magnet is promoted by discovery of iron based superconductors due to their high Tc and small magnetic field dependence of critical current density. Iron chalcogenide superconductor, so called 11-systems, has the simplest crystal structure among iron based superconductors. Furthermore, drastic increase of Tc from 8 K to around 40 K in FeSe is achieved by stress, which is introduced under high pressure. To date, we have succeeded in synthesizing FeSe superconductor electrochemically [1]. Furthermore, we have reported that electrochemical reaction is also effective way to remove excess Fe, which suppresses superconductivity of 11-systems, and to enhance superconducting property [2,3]. Synthesis of iron chalcogenide superconductors and improvement of superconducting property by electrochemical reaction will be discussed. [1] S. Demura et al., J. Phy. Soc. Jpn. 85, (2016) 015001 [2] A. Yamashita et al., Solid State Commun., 200 (2014) 29-31. [3] A. Yamashita et al., J. Phys. Soc. Jpn., 84 (2015) 034706.

Exploring magnetic-field-tolerant superconductivity in atomic-layer materials S. Yoshizawa and T. Uchihashi International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science

Low-dimensional materials often exhibit unusual properties that are rarely found in bulk materials. Recent developments of nanotechnology have allowed us to create atomic-layer superconductors on semiconductor surfaces, providing an ideal opportunity for exploring the nature of superconductivity in the two-dimensional limit. The response of such an atomic-layer superconductor to external magnetic fields should strongly depend on the direction of the fields. In particular, the upper critical field is expected to be maximized when the fields are exactly parallel to the two-dimensional layer, since quantum vortices cannot be formed inside the material. However, detailed properties of atomic-layer superconductors in magnetic fields have not been investigated so far, owing to the lack of appropriate experimental apparatus.

We have developed new equipment for low-temperature electron transport measurements in magnetic fields applied at arbitrary angles with respect to the sample surface. We performed resistivity measurements on Si(111)-(√7×√3)-In, an atomic-layer superconductor with a critical temperature (Tc) of 3 K. While the superconductivity is completely broken in an out-of-plane magnetic field of 0.5 T, the Tc is found to be nearly insensitive to in-plane magnetic fields up to 5 T. The estimated upper critical field (> 10 T) is higher than the limiting value (the Pauli limit) based on the standard paramagnetic pair-breaking mechanism.

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Day 1

Academ

ic Poster Presentation

Low doses of TiO2-PEG nanoparticles stimulate proliferation of hepatocyte cells Q. Sun1,2 and A. Taniguchi1,2 1 Cellular Functional Nanobiomaterials Group, Research Center for Functional Materials, National Institute for Materials Science 2 Graduate School of Advanced Science and Engineering, Waseda University

TiO2 nanoparticles (TiO2 NPs) are utilized in a wide variety of industrial and consumer products. However, the widespread use of TiO2 NPs has raised concerns about potential risks to human health. Many researchers have examined the cellular responses to exposure to high doses of NPs, however, few NPs were deposited in the organs. The cellular responses to exposure to low doses of NPs remain unclear. In this work, we describe the effect of low concentrations of 100-nm polyethylene glycol–modified TiO2 nanoparticles (TiO2-PEG NPs) on HepG2 hepatocellular carcinoma cell line. The results showed that proliferation of HepG2 cells increased significantly when the cells were exposed to low doses (<100 µg/mL) of TiO2-PEG NPs, which was further confirmed by cell counting experiments and cell cycle assays. Besides, exposure to lower doses of NPs led to less cellular uptake, which in turn decreased cytotoxicity. Finally, aggregation of HGFRs on the surface of cell membrane confirmed TiO2-PEG NPs have the potential to promote proliferation of HepG2 cells. In a conclusion, the results suggest that NPs not only exhibit cytotoxicity but also affect cellular responses.

Enhancement of superconductivity in EuFBiS2 using high pressure K. Suzuki1,2, R. Matsumoto1,2, M.Tanaka1, H. Tanaka3, H. Takeya1 and Y. Takano1,2 1 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science 2 Graduate school of pure and applied Sciences, University of Tsukuba 3 National Institute of Technology, Yonago collage Since the discovery of superconductivity in Bi4O4S3, much attention has been paid to the development

of BiS2­based layered superconductors. An application of external pressure drastically changes the superconducting transition temperature (Tc). Among the BiS2­based compounds, EuFBiS2 has been reported to show superconductivity without any chemical doping. In this study, we investigated the pressure effect in polycrystalline EuFBiS2 samples by the electrical resistivity measurements. The semiconducting resistivity at ambient pressure turns to metallic under applied pressure. With

increasing pressure, the superconducting transition appears above 2 K. The Tc value increases up to 8.6 K under a pressure of 1.8 GPa. The mixed valence state of Eu ion may affect the enhancement of superconductivity (K. Suzuki et. al., J. Phys. Soc. Jpn. 84, 115003 (2015)).

Synthesis and performance improvement of iron chalcogenide superconductors by electrochemical technique A. Yamashita1,2, M. Tanaka1 and Y. Takano1,2 1 International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science 2 Graduate School of Pure and Applied Sciences, University of Tsukuba

Superconductivity is a phenomenon of exactly zero electrical resistance occurring in certain materials when cooled below a critical temperature (Tc). The research aims to fabricate the superconducting wire for power cable and magnet is promoted by discovery of iron based superconductors due to their high Tc and small magnetic field dependence of critical current density. Iron chalcogenide superconductor, so called 11-systems, has the simplest crystal structure among iron based superconductors. Furthermore, drastic increase of Tc from 8 K to around 40 K in FeSe is achieved by stress, which is introduced under high pressure. To date, we have succeeded in synthesizing FeSe superconductor electrochemically [1]. Furthermore, we have reported that electrochemical reaction is also effective way to remove excess Fe, which suppresses superconductivity of 11-systems, and to enhance superconducting property [2,3]. Synthesis of iron chalcogenide superconductors and improvement of superconducting property by electrochemical reaction will be discussed. [1] S. Demura et al., J. Phy. Soc. Jpn. 85, (2016) 015001 [2] A. Yamashita et al., Solid State Commun., 200 (2014) 29-31. [3] A. Yamashita et al., J. Phys. Soc. Jpn., 84 (2015) 034706.

Exploring magnetic-field-tolerant superconductivity in atomic-layer materials S. Yoshizawa and T. Uchihashi International Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science

Low-dimensional materials often exhibit unusual properties that are rarely found in bulk materials. Recent developments of nanotechnology have allowed us to create atomic-layer superconductors on semiconductor surfaces, providing an ideal opportunity for exploring the nature of superconductivity in the two-dimensional limit. The response of such an atomic-layer superconductor to external magnetic fields should strongly depend on the direction of the fields. In particular, the upper critical field is expected to be maximized when the fields are exactly parallel to the two-dimensional layer, since quantum vortices cannot be formed inside the material. However, detailed properties of atomic-layer superconductors in magnetic fields have not been investigated so far, owing to the lack of appropriate experimental apparatus.

We have developed new equipment for low-temperature electron transport measurements in magnetic fields applied at arbitrary angles with respect to the sample surface. We performed resistivity measurements on Si(111)-(√7×√3)-In, an atomic-layer superconductor with a critical temperature (Tc) of 3 K. While the superconductivity is completely broken in an out-of-plane magnetic field of 0.5 T, the Tc is found to be nearly insensitive to in-plane magnetic fields up to 5 T. The estimated upper critical field (> 10 T) is higher than the limiting value (the Pauli limit) based on the standard paramagnetic pair-breaking mechanism.

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Academ

ic Poster Presentation

Operando analysis of all-solid-state lithium ion batteries using nanoscale electrical potential measurement and Li mapping H. Masuda1, N. Ishida1, Y. Ogata2, D. Ito2 and D. Fujita1 1 Research Center for Advanced Measurement and Characterization, National Institute for Materials Science 2 R&D Center, TAIYO YUDEN CO., LTD.

All-solid-state type lithium-ion batteries (LIB) are promised to be the next-generation energy storage devices. The advantages of this battery are high densification, capacity enlargement, and satisfactory safety. One of the remaining issues is low power densities caused by high ionic resistivity at the interfaces between active electrode materials and solid electrolytes. For a breakthrough on this point, novel in situ techniques for measuring the distribution of the internal potential and/or Li ion concentration of LIB cells are strongly required. In this work, we combined Ar ion milling under non-atmospheric conditions with in situ cross-sectional direct imaging methods, i.e., Kelvin probe force microscopy for the internal electrical potential distribution (shown in figure) and ToF-SIMS mapping for Li concentration. We succeeded in the direct visualization of the change in the potential distribution and Li concentration at the cathode composite electrode arising from the battery charging.

Figure. Schematic illustration of cross­sectional KPFM setup inside the non­atmospheric glove box.

Development of fluoride ion removal materials using sea urchin shells as a marine waste Y. Takemura1,2 and M. Kikuchi1,2 1 Bioceramics group, Research Center for Functional Materials, National Institute for Materials Science 2 Graduate School of Information Science and Technology, Hokkaido University

Dicalcium phosphate dihydrate (DCPD, CaHPO4•2H2O) is a promising candidate for fluoride ion removal from waste water by forming fluoroapatite (FAp, Ca10(PO4)6F2); however, the lag time to start the reaction and phosphate leaching hamper its application. Recent studies suggest that a mixture of calcium phosphates including DCPD and calcium carbonate could solve these problems. We previously succeeded in preparing a composite of multiple calcium phosphates and calcium carbonate from sea urchin shells, a marine waste. In this study, we investigated the fluoride ion immobilization capacity of the composite.

Organic substances of sea urchin shells were removed by a commercial bleach solution. The obtained skeleton was soaked in a H3PO4 solution either at room temperature or at 60 ºC for 6 or 24 hours. The obtained complex was added to fluoride ion solution and stirred for 24 hours.

Calcite and DCPD were detected by XRD at room temperature. In contrast, the 60 ºC product was calcite and anhydrous dicalcium phosphate (DCPA, CaHPO4). From results of fluoride immobilization test, the removal ratio of fluoride ions for all the obtained complexes was higher than 50%.

Investigation of new bronze alloys for high performance Nb3Sn superconducting wires H. Taniguchi1, T. Mizuta1, Y. Mizuta1, A. Kikuchi2 and Y. Iijima2 1 Osaka Alloying Works, Co., Ltd. 2 Research Center for Functional Materials, National Institute for Materials Science

Bronze-processed Nb3Sn superconducting wires are being widely used for the high-field magnet applications. Changing the tin content in bronze alloys as starting materials is probably the most effective approach for increasing the critical current density, and it affects the mechanical properties and workability for both composite billets and wires. According to the Cu-Sn binary phase diagram, the maximum solubility of tin in the ductile copper (α fcc phase) is 15.8 wt% around 550 °C. Increasing the tin content over the solubility limit creates the coarse δ phase (Cu41Sn11), which is a hard and brittle intermetallic compound. Thus the coarse δ compound disturbs plastic deformation of bronze alloys; as a result, wire-drawing of Nb/bronze multifilamentary composites become very difficult. Recently we have investigated the microstructure and mechanical properties of high-tin bronze alloys containing 18.5 wt% of tin and a large amount of titanium additives. In conjunction with titanium additives, the coarse δ phase disappears perfectly and replaces finer Cu-Sn-Ti ternary precipitates. Excellent elongation of nearly 10% appears at room temperature. Experimental results of the fabrication of the multifilamentary wires using the 18.5 wt% Sn bronze will be reported.

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Day 1

Academ

ic Poster Presentation

Operando analysis of all-solid-state lithium ion batteries using nanoscale electrical potential measurement and Li mapping H. Masuda1, N. Ishida1, Y. Ogata2, D. Ito2 and D. Fujita1 1 Research Center for Advanced Measurement and Characterization, National Institute for Materials Science 2 R&D Center, TAIYO YUDEN CO., LTD.

All-solid-state type lithium-ion batteries (LIB) are promised to be the next-generation energy storage devices. The advantages of this battery are high densification, capacity enlargement, and satisfactory safety. One of the remaining issues is low power densities caused by high ionic resistivity at the interfaces between active electrode materials and solid electrolytes. For a breakthrough on this point, novel in situ techniques for measuring the distribution of the internal potential and/or Li ion concentration of LIB cells are strongly required. In this work, we combined Ar ion milling under non-atmospheric conditions with in situ cross-sectional direct imaging methods, i.e., Kelvin probe force microscopy for the internal electrical potential distribution (shown in figure) and ToF-SIMS mapping for Li concentration. We succeeded in the direct visualization of the change in the potential distribution and Li concentration at the cathode composite electrode arising from the battery charging.

Figure. Schematic illustration of cross­sectional KPFM setup inside the non­atmospheric glove box.

Wearable toxic gas sensor based on supramolecular carbon nanotube wrapper and near field communication technology S. Ishihara1,2, J. M. Azzarelli1, M. Krikorian1 and T. M. Swager1 1 Department of Chemistry, Massachusetts Institute of Technology 2 National Institute for Materials Science

We present that single walled carbon nanotube (SWCNT) wrapped with supramolecular polymer (SP) demonstrates amplified and time-integrated increase in electrical conductivity when disassembly of SP is triggered by exposure to electrophilic chemical substances including diethyl chlorophosphate (DECP), a nerve agent simulant. Critical to our design of chemical dosimeters is the creation of a system wherein the cooperative interactions of SP are capable of effectively dispersing SWCNTs and maintaining them in an insulated, highly resistive state, while the SP monomers alone interact sufficiently weakly with SWCNTs such that they are ineffective at creating a dispersion. With these conditions established, we expect that triggered disassembly of the SP generates a conductive network with strong SWCNT-SWCNT interactions. Our SWCNT-SP composite material demonstrates over 3000% increase of electronic conductivity upon cumulative exposure to sub-ppm order of DECP. Owing to an enormous and irreversible sensing response, our material is compatible with a wireless sensing system based on near field communication technology. Thus, commercial smartphones can be employed for facile detection of harmful vapors (S. Ishihara et al., J. Am. Chem. Soc. 2016, 138, 8221– 8227).

Development of fluoride ion removal materials using sea urchin shells as a marine waste Y. Takemura1,2 and M. Kikuchi1,2 1 Bioceramics group, Research Center for Functional Materials, National Institute for Materials Science 2 Graduate School of Information Science and Technology, Hokkaido University

Dicalcium phosphate dihydrate (DCPD, CaHPO4•2H2O) is a promising candidate for fluoride ion removal from waste water by forming fluoroapatite (FAp, Ca10(PO4)6F2); however, the lag time to start the reaction and phosphate leaching hamper its application. Recent studies suggest that a mixture of calcium phosphates including DCPD and calcium carbonate could solve these problems. We previously succeeded in preparing a composite of multiple calcium phosphates and calcium carbonate from sea urchin shells, a marine waste. In this study, we investigated the fluoride ion immobilization capacity of the composite.

Organic substances of sea urchin shells were removed by a commercial bleach solution. The obtained skeleton was soaked in a H3PO4 solution either at room temperature or at 60 ºC for 6 or 24 hours. The obtained complex was added to fluoride ion solution and stirred for 24 hours.

Calcite and DCPD were detected by XRD at room temperature. In contrast, the 60 ºC product was calcite and anhydrous dicalcium phosphate (DCPA, CaHPO4). From results of fluoride immobilization test, the removal ratio of fluoride ions for all the obtained complexes was higher than 50%.

Investigation of new bronze alloys for high performance Nb3Sn superconducting wires H. Taniguchi1, T. Mizuta1, Y. Mizuta1, A. Kikuchi2 and Y. Iijima2 1 Osaka Alloying Works, Co., Ltd. 2 Research Center for Functional Materials, National Institute for Materials Science

Bronze-processed Nb3Sn superconducting wires are being widely used for the high-field magnet applications. Changing the tin content in bronze alloys as starting materials is probably the most effective approach for increasing the critical current density, and it affects the mechanical properties and workability for both composite billets and wires. According to the Cu-Sn binary phase diagram, the maximum solubility of tin in the ductile copper (α fcc phase) is 15.8 wt% around 550 °C. Increasing the tin content over the solubility limit creates the coarse δ phase (Cu41Sn11), which is a hard and brittle intermetallic compound. Thus the coarse δ compound disturbs plastic deformation of bronze alloys; as a result, wire-drawing of Nb/bronze multifilamentary composites become very difficult. Recently we have investigated the microstructure and mechanical properties of high-tin bronze alloys containing 18.5 wt% of tin and a large amount of titanium additives. In conjunction with titanium additives, the coarse δ phase disappears perfectly and replaces finer Cu-Sn-Ti ternary precipitates. Excellent elongation of nearly 10% appears at room temperature. Experimental results of the fabrication of the multifilamentary wires using the 18.5 wt% Sn bronze will be reported.

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ic Poster Presentation

Direct observation of dye molecules for solar cell on a titania nanosheet surface by ADF-STEM S. Koshiya1, S. Yamashita1,2 and K. Kimoto1 1 Electron Microscopy Group, National Institute for Materials Science 2 Faculty of Engineering, Kyushu University

Dye-sensitized solar cells (DSCs), which consist of a dye-coated semiconducting metal oxide photoelectrode, redox couple, and a counter electrode, attract much attention because of their low production cost, easy fabrication, and high efficiency. To characterize the attachment mechanism of the dye, few observations were reported using scanning tunneling microscopy, but their spatial resolution was insufficient. In this study, we have investigated the lateral distribution of dye molecules for DSCs with high spatial resolution using low-voltage scanning transmission electron microscopy (STEM), a quantitative annular dark-field (ADF)-STEM technique [1], a cooling specimen stage and free-standing titania nanosheet substrates. We have even visualized a single dye molecule. Evaluation of the contrast reveals the inhomogeneous dye-molecule distribution on titania surface, in which the dye molecules aggregate and do not cover much of the surface at the early stage of the dye absorption [2]. The present findings can help optimize current DSC fabrication processes. Further improvements of the energy efficiency can be achieved by optimizing the dye-molecule distribution. [1] S. Yamashita, S. Koshiya, K. Ishizuka and K. Kimoto, Microscopy, 64 143 (2015). [2] S. Koshiya, S. Yamashita and K. Kimoto, Scientific Reports, 6 24616 (2016).

Giant magnetic refrigerant materials for hydrogen liquefaction S. Toyoizumi1, H. Kitazawa2 and A. Tamaki1 1 Graduate School of Advanced Science and Technology, Tokyo Denki University 2 Research Center for Advanced Measurement and Characterization, National Institute for Materials Science

Magnetic refrigeration of magnetic materials based on the magnetocaloric effect (MCE) has attracted attention owing to its potential application in energy-efficient environment-friendly refrigeration technologies. The rare-earth intermetallic compound Ho5Pd2 with the cubic Dy5Pd2-type of crystal structure is one of the best magnetic refrigerant materials for the hydrogen liquefaction with a large MCE. It is considered that some vacancies in the Ho ion sites induce the magnetic cluster glass-like behaviors. Er5Pd2 with the same crystal structure as Ho5Pd2 was reported to exhibit a magnetic transition at lower temperature 18 K than 29 K of Ho5Pd2 which is close to the hydrogen liquefaction temperature 20 K, Er5Pd2 has the potential of a more suitable material for hydrogen liquefaction. In this study the magnetocaloric effect of Er5+xPd2 with controlled vacancies Er site will be presented. The maximum magnetic entropy change−Δ𝑆𝑆m

max , the adiabatic temperature change Δ𝑇𝑇ad , and the relative cooling power (RCP) of Er5+xPd2 take the largest value at x = 0 for the field change of 5 T. The magnetic entropy change of Er5Pd2 around 20 K is 1.5 times greater than that of Ho5Pd2.

Advanced in situ multi-scale characterization of mechanical properties of carbon-fiber-reinforced plastic H. Wang1, H. Masuda1, H. Kitazawa1, K. Onishi1, M. Kawai2 and D. Fujita1 1 Research Center for Advanced Measurement and Characterization, National Institute for Materials Science 2 Systems and Information Engineering, University of Tsukuba

In situ multi-scale characterization of the mechanical properties of carbon-fiber-reinforced plastic (CFRP) was performed using a traditional hardness tester, instrumented indentation tester and atomic-force-microscope (AFM)-based nanoindentation. Due to the large residual indentation and nonuniform distribution of the microscale carbon fibers, the Vickers hardness could not be calculated by the traditional hardness tester, such as a micro Vickers hardness tester. In addition, the clear residual microindentation could not be formed on the CFRP by instrumented indentation tester because of the large tip half angle of the Berkovich indenter. Therefore, an efficient technique called AFM-based nanoindentation for characterizing the true nanoscale hardness of CFRP was proposed and evaluated. The local hardness of the carbon fibers or plastic matrix on the nanoscale did not vary with nanoindentation location. The Vickers hardness of the carbon fiber and plastic matrix determined by AFM-based nanoindentation was 340 ± 30 kgf/mm2 and 40 ± 2 kgf/mm2, respectively.

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ic Poster Presentation

Direct observation of dye molecules for solar cell on a titania nanosheet surface by ADF-STEM S. Koshiya1, S. Yamashita1,2 and K. Kimoto1 1 Electron Microscopy Group, National Institute for Materials Science 2 Faculty of Engineering, Kyushu University

Dye-sensitized solar cells (DSCs), which consist of a dye-coated semiconducting metal oxide photoelectrode, redox couple, and a counter electrode, attract much attention because of their low production cost, easy fabrication, and high efficiency. To characterize the attachment mechanism of the dye, few observations were reported using scanning tunneling microscopy, but their spatial resolution was insufficient. In this study, we have investigated the lateral distribution of dye molecules for DSCs with high spatial resolution using low-voltage scanning transmission electron microscopy (STEM), a quantitative annular dark-field (ADF)-STEM technique [1], a cooling specimen stage and free-standing titania nanosheet substrates. We have even visualized a single dye molecule. Evaluation of the contrast reveals the inhomogeneous dye-molecule distribution on titania surface, in which the dye molecules aggregate and do not cover much of the surface at the early stage of the dye absorption [2]. The present findings can help optimize current DSC fabrication processes. Further improvements of the energy efficiency can be achieved by optimizing the dye-molecule distribution. [1] S. Yamashita, S. Koshiya, K. Ishizuka and K. Kimoto, Microscopy, 64 143 (2015). [2] S. Koshiya, S. Yamashita and K. Kimoto, Scientific Reports, 6 24616 (2016).

Analysis of micrometer-sized precipitates in heat-resistant steels by TOF-SIMS N. Watanabe1, H. Mamiya1, F. Abe 2, M. Ohkubo3 and H. Kitazawa1 1 Neutron Scattering Group, National Institute for Materials Science 2 Creep Property Group, National Institute for Materials Science 3 Electronics and Manufacturing, National Institute of Advanced Industrial Science and Technology

It is desired to develop heat-resistant steels that can be used for a long time under high pressures and temperatures to enhance the power-generation efficiency of thermal power plants and to reduce the carbon dioxide emissions. It is known that the creep lifetime in heat-resistant steels is prolonged when the concentration of added nitrogen increases, but the creep lifetime decreases with the further addition of nitrogen. It is important to investigate the relation between microelements distribution and mechanical characteristics in heat-resistant steels. We have carried out time-of-flight secondary ion mass spectrometry (TOF-SIMS) experiments to investigate this phenomenon. Precipitation of boron in the samples was more noticeable at higher nitrogen concentrations. The micrometer-sized precipitates consist of multiple phases, and all precipitates contain boron. These precipitates are different from the conventionally known M23C6 precipitates. We suggest that while nitrogen content is increased, the composite precipitates consume soluble boron, thereby suppressing solid-solution strengthening and decreasing the creep lifetime. This work is supported by SIP (Cross-ministerial Strategic Innovation Promotion Program)-IMASM (Innovative measurement and analysis for structural materials), Japan.

Giant magnetic refrigerant materials for hydrogen liquefaction S. Toyoizumi1, H. Kitazawa2 and A. Tamaki1 1 Graduate School of Advanced Science and Technology, Tokyo Denki University 2 Research Center for Advanced Measurement and Characterization, National Institute for Materials Science

Magnetic refrigeration of magnetic materials based on the magnetocaloric effect (MCE) has attracted attention owing to its potential application in energy-efficient environment-friendly refrigeration technologies. The rare-earth intermetallic compound Ho5Pd2 with the cubic Dy5Pd2-type of crystal structure is one of the best magnetic refrigerant materials for the hydrogen liquefaction with a large MCE. It is considered that some vacancies in the Ho ion sites induce the magnetic cluster glass-like behaviors. Er5Pd2 with the same crystal structure as Ho5Pd2 was reported to exhibit a magnetic transition at lower temperature 18 K than 29 K of Ho5Pd2 which is close to the hydrogen liquefaction temperature 20 K, Er5Pd2 has the potential of a more suitable material for hydrogen liquefaction. In this study the magnetocaloric effect of Er5+xPd2 with controlled vacancies Er site will be presented. The maximum magnetic entropy change−Δ𝑆𝑆m

max , the adiabatic temperature change Δ𝑇𝑇ad , and the relative cooling power (RCP) of Er5+xPd2 take the largest value at x = 0 for the field change of 5 T. The magnetic entropy change of Er5Pd2 around 20 K is 1.5 times greater than that of Ho5Pd2.

Advanced in situ multi-scale characterization of mechanical properties of carbon-fiber-reinforced plastic H. Wang1, H. Masuda1, H. Kitazawa1, K. Onishi1, M. Kawai2 and D. Fujita1 1 Research Center for Advanced Measurement and Characterization, National Institute for Materials Science 2 Systems and Information Engineering, University of Tsukuba

In situ multi-scale characterization of the mechanical properties of carbon-fiber-reinforced plastic (CFRP) was performed using a traditional hardness tester, instrumented indentation tester and atomic-force-microscope (AFM)-based nanoindentation. Due to the large residual indentation and nonuniform distribution of the microscale carbon fibers, the Vickers hardness could not be calculated by the traditional hardness tester, such as a micro Vickers hardness tester. In addition, the clear residual microindentation could not be formed on the CFRP by instrumented indentation tester because of the large tip half angle of the Berkovich indenter. Therefore, an efficient technique called AFM-based nanoindentation for characterizing the true nanoscale hardness of CFRP was proposed and evaluated. The local hardness of the carbon fibers or plastic matrix on the nanoscale did not vary with nanoindentation location. The Vickers hardness of the carbon fiber and plastic matrix determined by AFM-based nanoindentation was 340 ± 30 kgf/mm2 and 40 ± 2 kgf/mm2, respectively.

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ic Poster Presentation

1 μm

LEEM

// //// // //

Figure 1. Magnetic images for [Co 1/Ni 2] n on W(110) with the perpendicular ( ) and the in-plane [1 1 0] (//) spin-polarization direction. The left top image is a LEEM image.

Perpendicular magnetic anisotropy in Co/Ni multilayers studied with high brightness and highly spin-polarized LEEM

M. Suzuki1, K. Kudo2, K. Kojima4, T. Yasue3, N. Akutsu3, W. Diño4, H. Kasai4, E. Bauer5 andT. Koshikawa3

1 National Institute for Materials Science, 2 Ochanomizu University, 3 Osaka Electro-Communication University, 4 Osaka University, 5 Arizona State University

Co/Ni multilayers show strong perpendicular mag-netic anisotropy (PMA) and are well suited for spintronics devices such as current induced domain wall motion memories. However, the details of the sta-bilization mechanism of PMA in the multilayers were not understood. We observed the magnetic domain structure of Co/Ni multilayers on W(110) during their growth with high brightness and highly spin-polarized low energy electron microscopy. It was found that the magnetization direction alternated between in-plane upon Co deposition and perpendicular upon Ni deposi-tion in the early stage of the growth as shown in Fig. 1 and stayed perpendicular as the number of Co/Ni pairs increased. The results indicate that the Co-Ni interfaces play the important role of enhancing the PMA (M. Suzuki et al., J. Phys.: Condens. Matter 25, 406001, 2013).

1 μm

LEEM

// //// // //

Figure 1. Magnetic images for [Co 1/Ni 2] n on W(110) with the perpendicular ( ) and the in-plane [1 1 0] (//) spin-polarization direction. The left top image is a LEEM image.

Influence of Ti on mechanical properties and structure of Ni-free ODS steel A. Kowalska1,2, M. Ciemiorek2, N. Watanabe1, H. Mamiya1, M. Ohnuma3, H. Kitazawa1 and M. Lewndowska2 1 Quantum Beam Unit, National Institute for Materials Science 2 Faculty of Materials Science and Engineering, Warsaw University of Technology 3 Faculty of Engineering, Hokkaido University

Recently, Ni-free austenitic oxide dispersion strengthened (ODS) steels became an interesting material for application in future fusion and fission reactors. Commonly used austenitic steels contain high amount of Ni; it is a high activation material and its presence in nuclear field is undesirable. As a substitution, nitrogen and manganese were introduced to the material. However, as the previous investigation shows, presence of Mn caused creation of manganese oxide grains with sizes ~40 nm, which led to matrix depletion and fracture toughness. What is more, introduced to the material Y2O3 has a similar size to the initial powder, ~30 nm. Lowering the size of the nano-oxides is important for the material. To obtain such an effect, we have introduced titanium to the alloy, which reduced the nano-oxide particle size and caused creation of nanoclusters, strengthening the material. The aim of this research was to study the effect of Ti on mechanical properties and structure of Ni-free ODS steel.

Quantum size effects in the nonlinear response of metal plasmonic nanoparticles R. Sato1, K. Oyoshi1, M. Ohnuma2 and Y. Takeda1,3 1 Research Center for Advanced Measurement and Characterization, National Institute for Materials Science 2 Faculty of Engineering, Hokkaido University 2 School of Pure and Applied Sciences, University of Tsukuba

Plasmonic nanostructures offer the remarkable prospect of concentrating and manipulating electromagnetic fields at the nanoscale. However, the influence of size quantization on their properties is poorly understood [1]. Here, by combining pump-probe spectroscopy with spectroscopic ellipsometry, the nonlinear optical properties of Ag nanoparticles, including the intrinsic third-order susceptibility χ(3)

m, were investigated and compared with quantum finite-size effect calculations. When the particle diameter increases from 3 to 15 nm, |χ(3)

m| increases by two orders of magnitude, indicating discretization of conduction electrons (quantum size effects). The critical particle size for quantum confinement was deduced at 15 nm. Also, the χ(3)

m exhibits a strong spectral dependence [2]. The capability of an Ag nanoparticle to modulate its optical resonance condition, by optical nonlinearity, without an external feedback system was experimentally demonstrated. [1] M. Kauranen and A. V. Zayats, Nature Photon. 6, 737-748 (2012). [2] R. Sato, M. Ohnuma, K. Oyoshi, and Y. Takeda, Phys. Rev. B 90, 125417 (2014).

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ic Poster Presentation

1 μm

LEEM

// //// // //

Figure 1. Magnetic images for [Co 1/Ni 2] n on W(110) with the perpendicular ( ) and the in-plane [1 1 0] (//) spin-polarization direction. The left top image is a LEEM image.

Perpendicular magnetic anisotropy in Co/Ni multilayers studied with high brightness and highly spin-polarized LEEM

M. Suzuki1, K. Kudo2, K. Kojima4, T. Yasue3, N. Akutsu3, W. Diño4, H. Kasai4, E. Bauer5 andT. Koshikawa3

1 National Institute for Materials Science, 2 Ochanomizu University, 3 Osaka Electro-Communication University, 4 Osaka University, 5 Arizona State University

Co/Ni multilayers show strong perpendicular mag-netic anisotropy (PMA) and are well suited for spintronics devices such as current induced domain wall motion memories. However, the details of the sta-bilization mechanism of PMA in the multilayers were not understood. We observed the magnetic domain structure of Co/Ni multilayers on W(110) during their growth with high brightness and highly spin-polarized low energy electron microscopy. It was found that the magnetization direction alternated between in-plane upon Co deposition and perpendicular upon Ni deposi-tion in the early stage of the growth as shown in Fig. 1 and stayed perpendicular as the number of Co/Ni pairs increased. The results indicate that the Co-Ni interfaces play the important role of enhancing the PMA (M. Suzuki et al., J. Phys.: Condens. Matter 25, 406001, 2013).

1 μm

LEEM

// //// // //

Figure 1. Magnetic images for [Co 1/Ni 2] n on W(110) with the perpendicular ( ) and the in-plane [1 1 0] (//) spin-polarization direction. The left top image is a LEEM image.

Nanoparticle-decorated graphene for advanced battery design P. D. Bentley1,2, A Pratt1, S. P. Tear1 and Y. Yamauchi2

1 University of York 2 National Institute for Materials Science

Graphene is a very promising material with potential for use in next-generation battery technologies and low-power electronic and spintronic devices. Graphene oxide combined with Mn3O4 nanoparticles

[1] and graphene anchored with Co3O4 nanoparticles [2] are both promising candidate systems for a new form of anode in advanced battery devices, demonstrating improved performance over current lithium-ion batteries. However, the fabrication of graphene of suitable quality is problematic, particularly when it comes to producing a monolayer, contrary to bilayer or multi-layered graphene. In this project, using resistive heating, graphene has been epitaxially grown on 6H-SiC(0001) substrates. LEED, LEED I/V, RHEED and STM were all used to determine if graphene had been grown and if so how many layers had been produced. It was found that a single layer of graphene was best produced by heating for 2-3 minutes at 1250 oC, and that exceeding this temperature or annealing for longer durations would produce bilayer/multilayer-d graphene as a result of greater Si desorption. This was verified primarily using LEED I/V and source data from [3]. It was also confirmed that by using atomic hydrogen, a free-standing layer of graphene could be formed, as observed via LEED. The graphene layers produced show promise as base materials that can be decorated with nanoparticles such as those of Co3O4 to produce more powerful, environmental and cost-effective anodes. [1] H. Wang, et al., Nano Lett. 8, 3137 (2008), [2] W. Ren et al., ACS Nano 4, 3187 (2010), [3] C. Riedl, C. Coletti, and U. Starke, J. Phys. D: Appl. Phys. 43, 374009 (2010)

Influence of Ti on mechanical properties and structure of Ni-free ODS steel A. Kowalska1,2, M. Ciemiorek2, N. Watanabe1, H. Mamiya1, M. Ohnuma3, H. Kitazawa1 and M. Lewndowska2 1 Quantum Beam Unit, National Institute for Materials Science 2 Faculty of Materials Science and Engineering, Warsaw University of Technology 3 Faculty of Engineering, Hokkaido University

Recently, Ni-free austenitic oxide dispersion strengthened (ODS) steels became an interesting material for application in future fusion and fission reactors. Commonly used austenitic steels contain high amount of Ni; it is a high activation material and its presence in nuclear field is undesirable. As a substitution, nitrogen and manganese were introduced to the material. However, as the previous investigation shows, presence of Mn caused creation of manganese oxide grains with sizes ~40 nm, which led to matrix depletion and fracture toughness. What is more, introduced to the material Y2O3 has a similar size to the initial powder, ~30 nm. Lowering the size of the nano-oxides is important for the material. To obtain such an effect, we have introduced titanium to the alloy, which reduced the nano-oxide particle size and caused creation of nanoclusters, strengthening the material. The aim of this research was to study the effect of Ti on mechanical properties and structure of Ni-free ODS steel.

Quantum size effects in the nonlinear response of metal plasmonic nanoparticles R. Sato1, K. Oyoshi1, M. Ohnuma2 and Y. Takeda1,3 1 Research Center for Advanced Measurement and Characterization, National Institute for Materials Science 2 Faculty of Engineering, Hokkaido University 2 School of Pure and Applied Sciences, University of Tsukuba

Plasmonic nanostructures offer the remarkable prospect of concentrating and manipulating electromagnetic fields at the nanoscale. However, the influence of size quantization on their properties is poorly understood [1]. Here, by combining pump-probe spectroscopy with spectroscopic ellipsometry, the nonlinear optical properties of Ag nanoparticles, including the intrinsic third-order susceptibility χ(3)

m, were investigated and compared with quantum finite-size effect calculations. When the particle diameter increases from 3 to 15 nm, |χ(3)

m| increases by two orders of magnitude, indicating discretization of conduction electrons (quantum size effects). The critical particle size for quantum confinement was deduced at 15 nm. Also, the χ(3)

m exhibits a strong spectral dependence [2]. The capability of an Ag nanoparticle to modulate its optical resonance condition, by optical nonlinearity, without an external feedback system was experimentally demonstrated. [1] M. Kauranen and A. V. Zayats, Nature Photon. 6, 737-748 (2012). [2] R. Sato, M. Ohnuma, K. Oyoshi, and Y. Takeda, Phys. Rev. B 90, 125417 (2014).

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Plasmon-enhanced fluorescence from Ag nanoparticle-doped pyrolytic DNA nanofibers H. Nakao1, H. Shiigi2 and Y. Takeda1 1 Photon and Ion Beam Physics Group, National Institute for Materials Science 2 Department of Applied Chemistry, Osaka Prefecture University

Recently, fluorescent nanocarbon particles smaller than 10 nm, known as carbon nanodots (CDs), have attracted a great deal of attention, due to the fact that their size and excitation wavelength-dependent photoluminescence (PL) are similar to those of traditional semiconductor based quantum dots (QDs). We report on a facile method for preparing fluorescent carbon nanowires (CNWs) with pyrolysis of highly aligned DNA nanofibers as carbon source. Using highly aligned DNA nanofibers on a surface as the carbon source, we directly produced highly aligned fluorescent CNWs on a surface by pyrolysis at 250 °C. Furthermore, fluorescence enhancement from CNWs containing silver nanoparticles (AgNPs) was investigated, while pyrolysis of a single DNA nanofiber during thermal treatments was tracked by surface enhanced Raman scattering (SERS) imaging using a laser Raman microscope.

Modeling of dynamic behavior of interfacial bonding using EFIT and its experimental validation A. Ibrahim1, K. Nakahata1, H. Yamawaki2 and I. Watanabe2 1 Graduate School of Science and Engineering, Ehime University 2 Research Center for Structural Materials (RCSM), National Institute for Materials Science

When a solid–solid interface in imperfect bonding is subjected to an incident wave, scattered waves with both fundamental and higher-harmonic frequencies are generated due to the open/close state of the interface. This nonlinear phenomenon is called the contact acoustic nonlinearity (CAN), and has been applied for the evaluation of closed cracks in the field of ultrasonic nondestructive testing. When the incident wave is interacting with the interface, the domain on the incident side thrusts the other one intermittently to open the interface. However, the interface cannot keep open for a long period of time because of the compressional pre-stress. As a result, the displacement on the other side shows a saw-tooth waveform. In this study, we adopt the elastodynamic finite integration technique (EFIT) using split nodes on the interface to model the saw-tooth wave. The results are validated by the experimental measurement. The saw-tooth wave due to the CAN is measured using a high power tone burst pulser and non-contact receiver by a laser Doppler vibrometer.

Manipulation of ferroelectric and magnetic domains in a multiferroic Bi0.9La0.1FeO3 thin film T. Jia1, H. Kimura1 and Z. Cheng2

1 National Institute for Materials Science 2 Institute for Superconducting & Electronic Materials, University of Wollongong

Multiferroic materials have been drawing extensive attention worldwide because they simultaneously possess ferroelectric, ferromagnetic, and/or ferroelastic properties. The coupling between these properties enables the dynamic manipulation of one ordering parameter by another, which is promising for broad applications in sensing, actuation, memory, etc. In this work, both the ferroelectric domains and the magnetic domains in Bi0.9La0.1FeO3 film could be switched by mechanical force as well as by electric field. High tip stress applied to our thin film could induce ferroelastic switching and thus induce both ferroelectric dipole and magnetic spin flipping, as a consequence of electro-elastic coupling and magneto-electric coupling. The demonstration of mechanical force control of both the ferroelectric and the magnetic domains at room temperature provides a new freedom for manipulation of multiferroics and could result in devices with novel functionalities.

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ic Poster Presentation

Plasmon-enhanced fluorescence from Ag nanoparticle-doped pyrolytic DNA nanofibers H. Nakao1, H. Shiigi2 and Y. Takeda1 1 Photon and Ion Beam Physics Group, National Institute for Materials Science 2 Department of Applied Chemistry, Osaka Prefecture University

Recently, fluorescent nanocarbon particles smaller than 10 nm, known as carbon nanodots (CDs), have attracted a great deal of attention, due to the fact that their size and excitation wavelength-dependent photoluminescence (PL) are similar to those of traditional semiconductor based quantum dots (QDs). We report on a facile method for preparing fluorescent carbon nanowires (CNWs) with pyrolysis of highly aligned DNA nanofibers as carbon source. Using highly aligned DNA nanofibers on a surface as the carbon source, we directly produced highly aligned fluorescent CNWs on a surface by pyrolysis at 250 °C. Furthermore, fluorescence enhancement from CNWs containing silver nanoparticles (AgNPs) was investigated, while pyrolysis of a single DNA nanofiber during thermal treatments was tracked by surface enhanced Raman scattering (SERS) imaging using a laser Raman microscope.

Two dimensional mapping system for permeated hydrogen on stainless steel N. Miyauchi1, S. Nakamura1, S. Takagi1, H. Sakaue2, Y. Murase3, M. Tosa3 and A. N. Itakura3

1 Department of Physics, Toho University 2 National Institute for fusion Science 3 National Institute for Material Science

We have developed a real time visualization system for two-dimensional mapping of permeated hydrogen on metal surfaces. Images of surface hydrogen were obtained by combining the scanning electron beam and desorbed ions. The ions are emitted by "desorption induced by electronic transitions (DIET)" process. The DIET signals were measured with two-dimensional pulse counting system constructed by LabVIEW. The counting system was synchronized with the scanning electron beam. The sample was deformed SUS304 stainless steel, which had austenite structure with martensite dislocations caused by cold working of 20 %. The thickness of a membrane was 200 μm. After outgassing (573 K, 48 hours), the backside of the sample was exposed to hydrogen gas (2.7×105 Pa) . Permeated hydrogen to the opposite side of the sample was observed by the DIET technique with the two-dimensional counting system, in the real time, as a function of time and at each temperature. The system clarifies diffusion routes of hydrogen at each temperature in metals characterized by grain structures, measured by traditional secondary electron images.

Modeling of dynamic behavior of interfacial bonding using EFIT and its experimental validation A. Ibrahim1, K. Nakahata1, H. Yamawaki2 and I. Watanabe2 1 Graduate School of Science and Engineering, Ehime University 2 Research Center for Structural Materials (RCSM), National Institute for Materials Science

When a solid–solid interface in imperfect bonding is subjected to an incident wave, scattered waves with both fundamental and higher-harmonic frequencies are generated due to the open/close state of the interface. This nonlinear phenomenon is called the contact acoustic nonlinearity (CAN), and has been applied for the evaluation of closed cracks in the field of ultrasonic nondestructive testing. When the incident wave is interacting with the interface, the domain on the incident side thrusts the other one intermittently to open the interface. However, the interface cannot keep open for a long period of time because of the compressional pre-stress. As a result, the displacement on the other side shows a saw-tooth waveform. In this study, we adopt the elastodynamic finite integration technique (EFIT) using split nodes on the interface to model the saw-tooth wave. The results are validated by the experimental measurement. The saw-tooth wave due to the CAN is measured using a high power tone burst pulser and non-contact receiver by a laser Doppler vibrometer.

Manipulation of ferroelectric and magnetic domains in a multiferroic Bi0.9La0.1FeO3 thin film T. Jia1, H. Kimura1 and Z. Cheng2

1 National Institute for Materials Science 2 Institute for Superconducting & Electronic Materials, University of Wollongong

Multiferroic materials have been drawing extensive attention worldwide because they simultaneously possess ferroelectric, ferromagnetic, and/or ferroelastic properties. The coupling between these properties enables the dynamic manipulation of one ordering parameter by another, which is promising for broad applications in sensing, actuation, memory, etc. In this work, both the ferroelectric domains and the magnetic domains in Bi0.9La0.1FeO3 film could be switched by mechanical force as well as by electric field. High tip stress applied to our thin film could induce ferroelastic switching and thus induce both ferroelectric dipole and magnetic spin flipping, as a consequence of electro-elastic coupling and magneto-electric coupling. The demonstration of mechanical force control of both the ferroelectric and the magnetic domains at room temperature provides a new freedom for manipulation of multiferroics and could result in devices with novel functionalities.

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ic Poster Presentation

Effect of phase stability on low-cycle fatigue properties in Fe-28Mn-6Si-5Cr shape memory alloy

W. Tasaki1,2, T. Sawaguchi1, S. Takamori1, I. Nikulin1 and K. Tsuchiya1,2

1 Research Center for Structural Materials (RCSM), National Institute for Materials Science 2 Graduate School of Puer and Applied Sciences, University of Tsukuba

The effect of phase stability on low-cycle fatigue properties in Fe-28Mn-6Si-5Cr shape memory alloy was investigated. Cyclic push-pull loadings with a total strain range of 0.02 were applied to the alloy at various deformation temperatures ranging from 223 K to 523 K. The constituent phase and the microstructures in the fractured specimens were analyzed by X-ray diffraction and electron backscattered diffraction. Characteristic temperatures of and were determined as 373 K and 473 K. The highest fatigue life of 22,400 cycles was obtained at 423 K. The microstructure in the fractured samples was a mixture of γ-austenite and ε-martensite phases. It is suggested that the highest fatigue life can be obtained when the γ-austenite is stable and ε-martensitic transformation can be induced during deformation.[1] W. Tasaki, T. Sawaguchi, I. Nikulin, K. Sekido and K. Tsuchiya: Mater. Trans. 57 (2016) 639-646

Figure. Temperature dependence of fatigue life[1]

The iron making from Fe2O3 by use of ceramics with in situ TEM N. Ishikawa

In situ Characterization Technique Development Group, National Institute for Materials Science

Carbon dioxide in the iron and steel industries accounts for about 15% of the total Japan CO2 emission because of the use of coal as reductant, heat source, carburizer and so on. There are many research projects for reduction of carbon dioxide, but most of them still depend on the carbon as reductant, and hence it is difficult to significantly reduce CO2 consumption. Recently we have found using in situ transmission electron microscopy (TEM) that a few ceramics reduce Fe2O3. They do not include carbon and produce no carbon dioxide during the iron making process. Some reactions were promoted by electron irradiation. The experiments were carried out in the temperature range of 600 – 800 °C, which was much lower than that of the iron making process in the blast furnace. These reactions were also applied to other metal oxides.

NMR spectroscopy under photo-illumination at low temperatures A. Goto, C. Takizawa, K. Hashi, S. Ohki and T. Shimizu High-field NMR group, Research Center for Advanced Measurement and Characterization, and High Magnetic Field Station, National Institute for Materials Science We have developed a system for NMR spectroscopy under photo­illumination at low temperatures to

detect photo­induced phenomena at solid­surfaces based on the “optical pumping NMR system” developed at NIMS [1­3]. The system is expected to contribute to the development of energy­ and environment­related technologies that employ such phenomena through the elucidation of the mechanisms. Some of the features of the system include [1] efficient sample mounting that allows stable control of the sample temperature under photo­illumination in a vacuum, [2] efficient transmission of excitation from light sources (lasers or LEDs) to a sample in a vacuum through optical fibers, and [3] synchronization of rf­pulses and illumination with the NMR spectrometer. These features will be described in detail in the presentation. [1] A. Goto, R. Miyabe, K. Hashi, T. Shimizu, S. Ohki, G. Kido and S. Machida: Jpn. J. Appl. Phys. Part

1, 42, No. 5A (2003) 2864-2866. [2] A. Goto, S. Ohki, K. Hashi and T. Shimizu: Rev. Sci. Instrum. 77, (2006) 093904. [3] A. Goto, S. Ohki, K. Hashi and T. Shimizu: Jpn. J. Appl. Phys. 50, No. 12 (2011) 126701.

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Effect of phase stability on low-cycle fatigue properties in Fe-28Mn-6Si-5Cr shape memory alloy

W. Tasaki1,2, T. Sawaguchi1, S. Takamori1, I. Nikulin1 and K. Tsuchiya1,2

1 Research Center for Structural Materials (RCSM), National Institute for Materials Science 2 Graduate School of Puer and Applied Sciences, University of Tsukuba

The effect of phase stability on low-cycle fatigue properties in Fe-28Mn-6Si-5Cr shape memory alloy was investigated. Cyclic push-pull loadings with a total strain range of 0.02 were applied to the alloy at various deformation temperatures ranging from 223 K to 523 K. The constituent phase and the microstructures in the fractured specimens were analyzed by X-ray diffraction and electron backscattered diffraction. Characteristic temperatures of and were determined as 373 K and 473 K. The highest fatigue life of 22,400 cycles was obtained at 423 K. The microstructure in the fractured samples was a mixture of γ-austenite and ε-martensite phases. It is suggested that the highest fatigue life can be obtained when the γ-austenite is stable and ε-martensitic transformation can be induced during deformation.[1] W. Tasaki, T. Sawaguchi, I. Nikulin, K. Sekido and K. Tsuchiya: Mater. Trans. 57 (2016) 639-646

Figure. Temperature dependence of fatigue life[1]

Sustainable construction materials: characteristics of stabilized soil S. Shrestha1, I. Watanabe1 and PN. Maskey2 1 High Strength Materials Group, Research Center for Structural Materials (RCSM), National Institute for Materials Science 2 Department of Civil Engineering, Tribhuwan University

In order to address the global problems – resource/energy depletion and global warming – and to meet the ever increasing demand for eco-friendly construction materials, more and more research efforts are being dedicated to transform the current construction materials industry into a more sustainable one. In the last decade, earth construction has received increasing attention by the scientific community and stabilized soil is emerging as one of the sustainable construction materials which offer social, environmental and economical sustainability, not only in the developing but also in developed countries. This study analyzes the characteristics of stabilized soil under three modes of stabilizers – use of different percentage of Portland cement as ‘chemical stabilizer’ under variable pressures as a ‘mechanical stabilizer’ in a standard soil composition (physical stabilizer). The soil blocks and rammed earth walls were tested for flexure and compression in a dry and a saturated state. The tests were performed at 7, 14, 21 and 28 days of age in order to evaluate the influence of cement content (5%, 7%, 10% and 13% by weight) and compaction pressure (10, 15 and 20 MPa) on the mechanical properties of the compacted earth blocks and walls. The results indicate that compressive and flexure strength increase with increasing cement content and compaction pressures, while the water absorption capacity decreases. Based on the results, it is recommended to use 10% cement with compaction pressure of 15 MPa or 7% cement with compaction pressure of 20 MPa for low rise masonry building structures as per National Building Code for Nepal.

The iron making from Fe2O3 by use of ceramics with in situ TEM N. Ishikawa

In situ Characterization Technique Development Group, National Institute for Materials Science

Carbon dioxide in the iron and steel industries accounts for about 15% of the total Japan CO2 emission because of the use of coal as reductant, heat source, carburizer and so on. There are many research projects for reduction of carbon dioxide, but most of them still depend on the carbon as reductant, and hence it is difficult to significantly reduce CO2 consumption. Recently we have found using in situ transmission electron microscopy (TEM) that a few ceramics reduce Fe2O3. They do not include carbon and produce no carbon dioxide during the iron making process. Some reactions were promoted by electron irradiation. The experiments were carried out in the temperature range of 600 – 800 °C, which was much lower than that of the iron making process in the blast furnace. These reactions were also applied to other metal oxides.

NMR spectroscopy under photo-illumination at low temperatures A. Goto, C. Takizawa, K. Hashi, S. Ohki and T. Shimizu High-field NMR group, Research Center for Advanced Measurement and Characterization, and High Magnetic Field Station, National Institute for Materials Science We have developed a system for NMR spectroscopy under photo­illumination at low temperatures to

detect photo­induced phenomena at solid­surfaces based on the “optical pumping NMR system” developed at NIMS [1­3]. The system is expected to contribute to the development of energy­ and environment­related technologies that employ such phenomena through the elucidation of the mechanisms. Some of the features of the system include [1] efficient sample mounting that allows stable control of the sample temperature under photo­illumination in a vacuum, [2] efficient transmission of excitation from light sources (lasers or LEDs) to a sample in a vacuum through optical fibers, and [3] synchronization of rf­pulses and illumination with the NMR spectrometer. These features will be described in detail in the presentation. [1] A. Goto, R. Miyabe, K. Hashi, T. Shimizu, S. Ohki, G. Kido and S. Machida: Jpn. J. Appl. Phys. Part

1, 42, No. 5A (2003) 2864-2866. [2] A. Goto, S. Ohki, K. Hashi and T. Shimizu: Rev. Sci. Instrum. 77, (2006) 093904. [3] A. Goto, S. Ohki, K. Hashi and T. Shimizu: Jpn. J. Appl. Phys. 50, No. 12 (2011) 126701.

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ic Poster Presentation

Creep properties of near- titanium alloys consisting of an acicular microstructure T. Ito1,2, T. Kitashima1 and Y. Yamabe-Mitarai1 1 Research Center for Structural Materials (RCSM), National Institute for Materials Science 2 Department of Mechanical Engineering, National Institute of Technology, Kagawa College

Titanium alloys are expected to be used as heat-resisting structural materials in airplanes and automobiles. In this study, the creep properties of near- titanium alloys with an acicular microstructure have been studied. Ti-8.5wt%Al-8.0wt%Zr-2wt%Mo-1wt%Nb-0.15wt%Si (alloy code: TKT34) and its alloy with 0.1wt% added boron (alloy code: TKT35) have been used. The Al or Mo equivalent of these alloys is 9.83 or 2.28, respectively; these equivalent values are significantly higher or slightly higher, respectively, than those of many heat-resistant titanium alloys. The samples were fabricated by the following process: arc melting, casting, forging at 1403 K, caliber-rolling at 1273 K, followed by two types of solution treatment and then aging for 28.8 ks at 863 K. The solution treatment was carried out for 3.6 ks at 1223K (code: LL) or for 1.8 ks at 1323K (code: HS). The length or thickness of the acicular microstructure exhibited a tendency of being larger under HS solution treatment conditions than under LL solution treatment conditions. The creep tests were carried out at an applied stress of 137 MPa and a temperature of 923 K in air. The creep fracture lifetime decreases in the order: TKT34HS, TKT35HS, TKT34LL, and TKT35LL. We will briefly discuss the relationship between the creep properties and the microstructure.

Investigation of the influence of elemental distribution in Ti-12Mo alloy on its mechanical properties by nanoindentation test J. Ruzic, I. Watanabe and S. Emura Research Center for Structural Materials (RCSM), National Institute for Materials Science

Heterogeneity of Ti-12 mass % Mo alloy was characterized with nanoindentation testing in order to investigate its deformation and strengthening mechanism. Two sides of hot-rolled samples were observed: in transverse direction (TD) and rolling direction (RD). Microstructural characterization and analysis of indents was performed by scanning electron microscopy (SEM) combined with energy dispersive spectroscopy (EDS). Obtained data show that side of sample (TD or RD) has negligible influence on observed mechanical properties. On the other hand, elemental distribution and grain orientation show great effect on hardness and elastic modulus. Regions with greater amount of Mo show lower values of hardness and elastic modulus. Effects of elemental distribution of alloying elements through the grains in Ti-12Mo alloy on its mechanical properties was detected by nanoindentation testing.

Nature-adapted next-generation coatings and adhesives D. Payra1,2 and M. Naito2 1 International Center for Young Scientists (ICYS), National Institute for Materials Science 2 Research Center for Structural Materials (RCSM), National Institute for Materials Science

Coatings and adhesives are integral part of our daily life, in particular related to wide-range structural components (protection, decoration, (dis)similar attachment, etc). With rapid progress of sophisticated/ light-weight devices, advance functionality, and certain user-wish demand for new molecular design, heavy-metal free, (nano)coating, and smart adhesives are ever-increasing. The fundamental need of efficient adhesive and/or coating materials underlies in recognizing strong and versatile substrate binding molecular units. In this context, marine-mussel foot-protein adapted molecular mimic (catechol, dopamine) gained a considerable attention, in recent years. We present here two unique approaches to exploit mussel-mimetic technology for multipurpose coating and adhesive, reported by us recently. In one direction, easy modification of conventional alkyl-methacrylate based synthetic polymers enabled stable coatings on metals/alloys for anticorrosion purpose and high-strength adhesives. On the other hand, a facile modification of natural polyphenol (tannic acid) afforded stable multipurpose (anticorrosion, antibacterial) coatings on various substrates. We further aim to improve efficiency and introduce cutting-edge features in our innovations.

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ic Poster Presentation

Creep properties of near- titanium alloys consisting of an acicular microstructure T. Ito1,2, T. Kitashima1 and Y. Yamabe-Mitarai1 1 Research Center for Structural Materials (RCSM), National Institute for Materials Science 2 Department of Mechanical Engineering, National Institute of Technology, Kagawa College

Titanium alloys are expected to be used as heat-resisting structural materials in airplanes and automobiles. In this study, the creep properties of near- titanium alloys with an acicular microstructure have been studied. Ti-8.5wt%Al-8.0wt%Zr-2wt%Mo-1wt%Nb-0.15wt%Si (alloy code: TKT34) and its alloy with 0.1wt% added boron (alloy code: TKT35) have been used. The Al or Mo equivalent of these alloys is 9.83 or 2.28, respectively; these equivalent values are significantly higher or slightly higher, respectively, than those of many heat-resistant titanium alloys. The samples were fabricated by the following process: arc melting, casting, forging at 1403 K, caliber-rolling at 1273 K, followed by two types of solution treatment and then aging for 28.8 ks at 863 K. The solution treatment was carried out for 3.6 ks at 1223K (code: LL) or for 1.8 ks at 1323K (code: HS). The length or thickness of the acicular microstructure exhibited a tendency of being larger under HS solution treatment conditions than under LL solution treatment conditions. The creep tests were carried out at an applied stress of 137 MPa and a temperature of 923 K in air. The creep fracture lifetime decreases in the order: TKT34HS, TKT35HS, TKT34LL, and TKT35LL. We will briefly discuss the relationship between the creep properties and the microstructure.

First-principles study of the phase stability and elastic properties of Ti-X alloys (X = Mo, Nb, Al, Sn, Zr, Fe, Co, and O) W. Zhou1,2, R. Sahara1 and K. Tsuchiya1,2 1 Research Center for Structural Materials (RCSM), National Institute for Materials Science 2 Department of Materials Science, University of Tsukuba

We studied the phase stability and elastic properties of Ti1-x-Xx alloys (X = substitutional Mo, Nb, Al, Sn, Zr, Fe, Co, and interstitial O) in body-centered cubic (bcc, β phase) and hexagonal close-packed (hcp, α phase) crystal structures using first-principles calculations.

The predicted formation energies and elastic properties agreed well with previous experimental and theoretical results. Mo stabilized the β phase and destabilized the α phase, and Nb was a weaker β-stabilizer. In Ti-Al and Ti-Sn systems, the compounds formed preferentially at a higher concentration. Zr showed little effect on the phase stability, thus it was a neutral element. For Ti-O systems, the octahedral site was the most stable in both bcc and hcp structures. The formation energies showed that O acts as an α stabilizer. The elastic constants showed that adding Mo, Nb, Fe, or Co increases the mechanical stability of bcc Ti, whereas bcc Ti-Al, Ti-Sn, and Ti-Zr systems were mechanically unstable for all the calculated concentrations. The mechanical stability of their hcp counterparts, Ti-Mo and Ti-Nb, was lower than the Ti-Al, Ti-O, and Ti-Sn systems. Increasing the amount of alloying element and the phase stability smoothened the density of states (DOS). In SQS models, the alloying elements Mo, Zr, and Nb made a large contribution to the DOS of Ti alloys, whereas the contribution from Al and Sn was small.

Investigation of the influence of elemental distribution in Ti-12Mo alloy on its mechanical properties by nanoindentation test J. Ruzic, I. Watanabe and S. Emura Research Center for Structural Materials (RCSM), National Institute for Materials Science

Heterogeneity of Ti-12 mass % Mo alloy was characterized with nanoindentation testing in order to investigate its deformation and strengthening mechanism. Two sides of hot-rolled samples were observed: in transverse direction (TD) and rolling direction (RD). Microstructural characterization and analysis of indents was performed by scanning electron microscopy (SEM) combined with energy dispersive spectroscopy (EDS). Obtained data show that side of sample (TD or RD) has negligible influence on observed mechanical properties. On the other hand, elemental distribution and grain orientation show great effect on hardness and elastic modulus. Regions with greater amount of Mo show lower values of hardness and elastic modulus. Effects of elemental distribution of alloying elements through the grains in Ti-12Mo alloy on its mechanical properties was detected by nanoindentation testing.

Nature-adapted next-generation coatings and adhesives D. Payra1,2 and M. Naito2 1 International Center for Young Scientists (ICYS), National Institute for Materials Science 2 Research Center for Structural Materials (RCSM), National Institute for Materials Science

Coatings and adhesives are integral part of our daily life, in particular related to wide-range structural components (protection, decoration, (dis)similar attachment, etc). With rapid progress of sophisticated/ light-weight devices, advance functionality, and certain user-wish demand for new molecular design, heavy-metal free, (nano)coating, and smart adhesives are ever-increasing. The fundamental need of efficient adhesive and/or coating materials underlies in recognizing strong and versatile substrate binding molecular units. In this context, marine-mussel foot-protein adapted molecular mimic (catechol, dopamine) gained a considerable attention, in recent years. We present here two unique approaches to exploit mussel-mimetic technology for multipurpose coating and adhesive, reported by us recently. In one direction, easy modification of conventional alkyl-methacrylate based synthetic polymers enabled stable coatings on metals/alloys for anticorrosion purpose and high-strength adhesives. On the other hand, a facile modification of natural polyphenol (tannic acid) afforded stable multipurpose (anticorrosion, antibacterial) coatings on various substrates. We further aim to improve efficiency and introduce cutting-edge features in our innovations.

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ic Poster Presentation

Application of DFT and informatics for screening ion conductive ceramics R. Jalem1,2 and M. Nakayama1,2,3 1 Global Research Center for Environment and Energy based on Nanomaterials Science (GREEN), National Institute for Materials Science 2 “Materials research by Information Integration” Initiative, National Institute for Materials Science 3 Department of Materials Science and Engineering, Nagoya Institute of Tecnology

Fast ionic conductors are technologically important materials in applications such as batteries and fuel cells. The ongoing search and development of these materials has led to the widespread use of materials simulations (e.g., density functional theory, DFT) and informatics tools for the comprehensive survey of material properties; the latter provide effective statistical techniques and algorithms that address bottleneck routines and/or parameterize material functionalities that are expensive to evaluate solely by the former (e.g., transition state property calculation by DFT). In this work, the application of DFT and informatics for screening ion conductive ceramics is presented with emphasis on the details of training and deploying a machine learning model for ion migration energy to scan for promising compositions in a chemical search space of interest. In addition, the search space is evaluated by DFT for thermodynamic phase stability by calculating convex hull decomposition energy. Details of the machine learning model for cohesive energy, a surrogate metric for phase stability, are also presented, with a training dataset from thousands of Li-containing compounds and with a newly developed input data representation for crystalline solids.

Design and development of heat-resistant high-strength Ti alloys for jet engines T. Kitashima and Y. Yamabe-Mitarai Research Center for Structural Materials (RCSM), National Institute for Materials Science

High-temperature Ti alloys are used in the compressor of a jet engine. Increasing the temperature capability of the alloys leads to an improvement in the thermal efficiency of the jet engine, which results in a reduction of CO2 gas emission and fuel consumption. In order to design and develop new alloys that meet the requirement of engine makers and airlines, it is necessary to consider not only one but several properties, such as creep strength, fatigue strength, tensile strength, oxidation resistance, etc. However, it is difficult and time-consuming to develop these alloys for practical use because they are multicomponent systems containining six to seven elements. We develop high-temperature titanium alloys and the database of their mechanical and oxidation properties. In addition, we discuss the prediction of those properties.

Hydrogen entry into high strength steel in wear-corrosion environment including Cl- K. Doi1, E. Akiyama2 and M. Hayakawa3

1 International Center for Young Scientists, National Institute for Materials Science

2 Institute for Materials Research, Tohoku University 3 Research Center for Structural Materials (RCSM), National Institute for Materials Science

Expectations have been increasing for hydrogen energy technologies. In order to safely apply hydrogen energy, we have to overcome hydrogen embrittlement, which decreases the long-term reliability of hydrogen storage containers made of metallic materials. The hydrogen storage container suffers from both corrosion and wear and the synergistic effect of them, tribocorrosion. In this study, we examined a possible enhancement of hydrogen incorporation into a high-strength steel by tribocorrosion.

Tribocorrosion tests were conducted using samples of an AISI 4135 steel and 1300 MPa of tensile strength. In the tribocorrosion test, the sample was worn by a SiC ball in a NaCl solution. For comparison, corrosion test without wear was also conducted for samples immersed in the NaCl solution. After tribocorrosion test and corrosion test, the amount of hydrogen in the sample was measured by hydrogen thermal desorption analysis. Results reveal enhanced incorporation of hydrogen in tribocorrosion environment than in corrosion environment.

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ic Poster Presentation

Application of DFT and informatics for screening ion conductive ceramics R. Jalem1,2 and M. Nakayama1,2,3 1 Global Research Center for Environment and Energy based on Nanomaterials Science (GREEN), National Institute for Materials Science 2 “Materials research by Information Integration” Initiative, National Institute for Materials Science 3 Department of Materials Science and Engineering, Nagoya Institute of Tecnology

Fast ionic conductors are technologically important materials in applications such as batteries and fuel cells. The ongoing search and development of these materials has led to the widespread use of materials simulations (e.g., density functional theory, DFT) and informatics tools for the comprehensive survey of material properties; the latter provide effective statistical techniques and algorithms that address bottleneck routines and/or parameterize material functionalities that are expensive to evaluate solely by the former (e.g., transition state property calculation by DFT). In this work, the application of DFT and informatics for screening ion conductive ceramics is presented with emphasis on the details of training and deploying a machine learning model for ion migration energy to scan for promising compositions in a chemical search space of interest. In addition, the search space is evaluated by DFT for thermodynamic phase stability by calculating convex hull decomposition energy. Details of the machine learning model for cohesive energy, a surrogate metric for phase stability, are also presented, with a training dataset from thousands of Li-containing compounds and with a newly developed input data representation for crystalline solids.

DAMAS: an annotation support tool for material information T. M. Dieb1 and K. Tsuda2 1 Center for Materials research by Information Integration, National Institute for Materials Science 2 Graduate School of Frontier Sciences, the University of Tokyo

The massive availability of fresh material information in research papers encouraged several researchers to use text mining techniques to extract such information from literature. Manual annotation of such information is a crucial step to provide learning models for automatic information extraction systems. However, this process is highly time-consuming due to the intellectual effort required by domain experts. In order to facilitate the manual annotation process, we introduce DAMAS (Digital Annotation of Material Information Service): a lightweight web-based annotation support tool to facilitate material information annotation. DAMAS was developed with web technology, and runs on the browser to avoid local installation for users. It also provides a simple and intuitive annotation interface with annotation visualization and configurable information categories. To further speed up material information annotation, DAMAS integrates annotation suggestion for materials` entities using chemical entity recognizer.

Design and development of heat-resistant high-strength Ti alloys for jet engines T. Kitashima and Y. Yamabe-Mitarai Research Center for Structural Materials (RCSM), National Institute for Materials Science

High-temperature Ti alloys are used in the compressor of a jet engine. Increasing the temperature capability of the alloys leads to an improvement in the thermal efficiency of the jet engine, which results in a reduction of CO2 gas emission and fuel consumption. In order to design and develop new alloys that meet the requirement of engine makers and airlines, it is necessary to consider not only one but several properties, such as creep strength, fatigue strength, tensile strength, oxidation resistance, etc. However, it is difficult and time-consuming to develop these alloys for practical use because they are multicomponent systems containining six to seven elements. We develop high-temperature titanium alloys and the database of their mechanical and oxidation properties. In addition, we discuss the prediction of those properties.

Hydrogen entry into high strength steel in wear-corrosion environment including Cl- K. Doi1, E. Akiyama2 and M. Hayakawa3

1 International Center for Young Scientists, National Institute for Materials Science

2 Institute for Materials Research, Tohoku University 3 Research Center for Structural Materials (RCSM), National Institute for Materials Science

Expectations have been increasing for hydrogen energy technologies. In order to safely apply hydrogen energy, we have to overcome hydrogen embrittlement, which decreases the long-term reliability of hydrogen storage containers made of metallic materials. The hydrogen storage container suffers from both corrosion and wear and the synergistic effect of them, tribocorrosion. In this study, we examined a possible enhancement of hydrogen incorporation into a high-strength steel by tribocorrosion.

Tribocorrosion tests were conducted using samples of an AISI 4135 steel and 1300 MPa of tensile strength. In the tribocorrosion test, the sample was worn by a SiC ball in a NaCl solution. For comparison, corrosion test without wear was also conducted for samples immersed in the NaCl solution. After tribocorrosion test and corrosion test, the amount of hydrogen in the sample was measured by hydrogen thermal desorption analysis. Results reveal enhanced incorporation of hydrogen in tribocorrosion environment than in corrosion environment.

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ic Poster Presentation

Improvement of moisture resistance of La2O3 by impurity doping

Y. Adachi and I. SakaguchiResearch Center for Functional Materials, National Institute for Materials Science

High permittivity (k) gate dielectric films have been studied to replace SiO2 as gate oxides to suppress the gate leakage current when the SiO2 gate oxide becomes thin. La2O3 is considered as one of the promising candidate for high-k gate dielectrics because of a high dielectric constant (~27) and its large band offset to Si (~2.3 eV). However, La2O3 is not stable in air and is very hygroscopic, forming hydroxide. The formation of La(OH)3 degrades the k value of a La2O3 gate oxide. Recently, we found that the moisture resistance of La2O3 films was significantly improved by CaF2 doping. As shown in Fig.1, a 1 mol% CaF2 doped La2O3 film was stable even after 3 days of ambient air exposure, whereas the surface of a 0.01 mol% CaF2 doped La2O3 film became rough after 1 day exposure in air. This result indicates that CaF2 doping into La2O3 prevents from the formation of La(OH)3.

Figure. Optical microscopy images of 0.01 mol% and 1 mol% CaF2 doped La2O3 films as-deposited and after 3 days of ambient air exposure.

0.01 mol% dopedAs-deposited

0.01 mol% dopedAfter 1 day

1 mol% dopedAs-deposited

1 mol% dopedAfter 3 days

First principles calculations and machine learning of magnetic properties H. Fujii1, T. Fukushima2 and T. Oguchi1,2 1 Materials research by Information Integration Initiative (MI2I), Center for Materials Research by Information Integration, National Institute for Materials Science 2 Department of Theoretical Nanotechnology, Institute of Scientific and Industrial Research (ISIR), Osaka University In the field of material science, “informatics” is a new and powerful tool not only to accelerate finding new materials with a target property but also to understand the origin of a certain physical properties. We have applied this informatics technique to magnetic materials, such as 3d transition metal alloys, Heusler alloys, and transition metal oxides to extract a set of physically meaningful parameters, i.e., descriptors, which determine their magnetic properties. In this study, we first calculated the Slater-Pauling (SP) curve by using the AkaiKKR code, which is based on the Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) method, and successfully reproduced the experimental SP curve. By using LASSO (least absolute shrinkage and selection operator) method contained in GLMNET library of R package, we also performed regression analysis in order to find the descriptors.

Search for magnet materials based on materials informatics T. Yamashita1,2 and T. Oguchi1,2 1 Center for Materials Research by Information Integration, National Institute for Materials Science 2 Institute of Scientific and Industrial Research, Osaka University

Data-driven approaches in material science have attracted much attention because of the rapid growth of supercomputer performance. To search for new materials, development of basic methods with informatics has been highly desired. One of the key issues to find new materials is how to predict the crystal structures. In this study, we performed crystal structure predictions for rare-earth magnets. Random search algorithm in combination with structure optimization using first-principles calculations is employed. The usability of crystal structure predictions for finding new rare-earth magnet materials is discussed. We searched for the crystal structures of RCo5 and R2Co17 (R means rare-earth element such as Y and Sm) which are important compositions of Sm-Co magnets. The most stable structure of RCo5 and R2Co17 were obtained with probabilities of 8 and 3%, respectively. Our predicted structures completely agree with experimental structures. These results show that the random search method is highly efficient for a relatively small unit cell (fewer than 20 atoms). For a large unit cell including 4 R and 34 Co atoms, however, we could not obtain stable structures within trials of 300 structures. More efficient methods are required to find complex rare-earth magnet materials such as Nd-Fe-B magnet (68 atoms per cell). We further apply a Bayesian optimization method to crystal structure predictions for rare-earth magnet materials.

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Improvement of moisture resistance of La2O3 by impurity doping

Y. Adachi and I. SakaguchiResearch Center for Functional Materials, National Institute for Materials Science

High permittivity (k) gate dielectric films have been studied to replace SiO2 as gate oxides to suppress the gate leakage current when the SiO2 gate oxide becomes thin. La2O3 is considered as one of the promising candidate for high-k gate dielectrics because of a high dielectric constant (~27) and its large band offset to Si (~2.3 eV). However, La2O3 is not stable in air and is very hygroscopic, forming hydroxide. The formation of La(OH)3 degrades the k value of a La2O3 gate oxide. Recently, we found that the moisture resistance of La2O3 films was significantly improved by CaF2 doping. As shown in Fig.1, a 1 mol% CaF2 doped La2O3 film was stable even after 3 days of ambient air exposure, whereas the surface of a 0.01 mol% CaF2 doped La2O3 film became rough after 1 day exposure in air. This result indicates that CaF2 doping into La2O3 prevents from the formation of La(OH)3.

Figure. Optical microscopy images of 0.01 mol% and 1 mol% CaF2 doped La2O3 films as-deposited and after 3 days of ambient air exposure.

0.01 mol% dopedAs-deposited

0.01 mol% dopedAfter 1 day

1 mol% dopedAs-deposited

1 mol% dopedAfter 3 days

Preliminary experiments: causal relation extraction from natural language texts for material development T. Onishi1, T. Kadohira2 and I. Watanabe2 1 Toyota Technological Institute at Chicago 2 Research Center for Structural Materials, National Institute for Materials Science

We propose a causal relation extraction system for material development and show preliminary experiments. Our system extracts causal relations between facts such as manufacturing process, structures and characters of a material by reading natural language resources like material science textbooks with a language model (LM) trained with structured known causal relations and the textbooks. First, the system trains the LM with known causal relations in structured data, e.g. , “process A causes character B“ and “structure C causes character D”. Using machine learning techniques, the LM learns how the pair of facts are described and how the causal relation is expressed in the texts. Second, the system extracts an unknown causal relation of another pair of facts with the trained LM from the texts. We hope the system helps to feed material ontologies and provides deeper intuitive information about materials to researchers. In preliminary experiments, we show the statistics of the data we are targeting and performances of some LMs and reveal difficulties of this challenge.

First principles calculations and machine learning of magnetic properties H. Fujii1, T. Fukushima2 and T. Oguchi1,2 1 Materials research by Information Integration Initiative (MI2I), Center for Materials Research by Information Integration, National Institute for Materials Science 2 Department of Theoretical Nanotechnology, Institute of Scientific and Industrial Research (ISIR), Osaka University In the field of material science, “informatics” is a new and powerful tool not only to accelerate finding new materials with a target property but also to understand the origin of a certain physical properties. We have applied this informatics technique to magnetic materials, such as 3d transition metal alloys, Heusler alloys, and transition metal oxides to extract a set of physically meaningful parameters, i.e., descriptors, which determine their magnetic properties. In this study, we first calculated the Slater-Pauling (SP) curve by using the AkaiKKR code, which is based on the Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) method, and successfully reproduced the experimental SP curve. By using LASSO (least absolute shrinkage and selection operator) method contained in GLMNET library of R package, we also performed regression analysis in order to find the descriptors.

Search for magnet materials based on materials informatics T. Yamashita1,2 and T. Oguchi1,2 1 Center for Materials Research by Information Integration, National Institute for Materials Science 2 Institute of Scientific and Industrial Research, Osaka University

Data-driven approaches in material science have attracted much attention because of the rapid growth of supercomputer performance. To search for new materials, development of basic methods with informatics has been highly desired. One of the key issues to find new materials is how to predict the crystal structures. In this study, we performed crystal structure predictions for rare-earth magnets. Random search algorithm in combination with structure optimization using first-principles calculations is employed. The usability of crystal structure predictions for finding new rare-earth magnet materials is discussed. We searched for the crystal structures of RCo5 and R2Co17 (R means rare-earth element such as Y and Sm) which are important compositions of Sm-Co magnets. The most stable structure of RCo5 and R2Co17 were obtained with probabilities of 8 and 3%, respectively. Our predicted structures completely agree with experimental structures. These results show that the random search method is highly efficient for a relatively small unit cell (fewer than 20 atoms). For a large unit cell including 4 R and 34 Co atoms, however, we could not obtain stable structures within trials of 300 structures. More efficient methods are required to find complex rare-earth magnet materials such as Nd-Fe-B magnet (68 atoms per cell). We further apply a Bayesian optimization method to crystal structure predictions for rare-earth magnet materials.

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TEM characterization of a Mg2Si0.5Sn0.5 solid solution for high-performance thermoelectrics M. Song1, J-W. Liu2, M. Takeguchi1, N. Tsujii3 and Y. Isoda4 1 Transmission Electron Microscopy Station, National Institute for Materials Science 2 School of Materials Science and Engineering, Changzhou University 3 Quantum Beam Unit, Advanced Key Technology Division, National Institute for Materials Science 4 Center for Green Research on Energy & Environmental Materials Division, National Institute for Materials Science

The effect of annealing (1068 K, 250 h) on microstructure and thermoelectric properties of a compound, a 0.33 mol% Sb-doped Mg2Si0.5Sn0.5 solid solution, was studied with TEM, thermoelectric measurements, XRD, SEM, and EPMA. The solid solution was synthesized by combining a liquid-solid reaction and hot pressing. The as-prepared sample contained Si, Sn and MgO inclusions tens of nm in size. After annealing, Si and Sn inclusions disappeared, while the MgO nanoparticles remained almost unchanged; the charge carrier concentration and electrical conductivity decreased and the lattice thermal conductivity increased. As a result, the thermoelectric figure of merit ZT ~ 0.34 at 394 K for the as-prepared sample deteriorated to ~ 0.24 at 388 K after the annealing. The results suggested that there existed a high density of point defects, such as Mg interstitials, and other defects in the as-prepared sample, and that they improved the thermoelectric properties of the material. Thus controlling defects is important for optimizing the thermoelectric properties of materials.

Research and development of Nb3Al superconducting wires for high magnetic field applications Y. Iijima1, A. Kikuchi1 and K. Tsuchiya2 1 Research Center for Functional Materials, National Institute for Materials Science 2 High Energy Accelerator Research Organization (KEK)

The stoichiometric Nb3Al superconductor has both high critical temperature (Tc ～20 K) and upper critical field (Hc2 = 30 T at 4.2 K). It is possible to form the near-stoichiometric Nb3Al compound through the diffusion reaction at high temperatures, however this causes remarkable grain growth and results in drastic degradation of the critical current density, Jc. Quenching from high temperature is the one of techniques to solve the problems of both grain growth and nonstoichiometric composition. We are developing the RHQT (rapid heating/quenching and transformation) process, in which Nb/Al precursor wires are continuously resistive-heated up to about 2000 °C and subsequently quenched into a molten gallium bath at room temperature. The Nb/Al composite filaments having the stoichiometric A15 composition are changed into the metastable Nb-Al supersaturated bcc solid solution, and then massively transformed into the A15 phase upon annealing at 800 °C. The current status and recent R&D activities of the RHQT processed Nb3Al superconducting wires will be reported.

P1-63

P1-64

—56—

Day 1

Academ

ic Poster Presentation

Development of Nb3Sn wire using Cu-Sn-Zn ternary bronze matrix for the prototyped fusion reactor "DEMO" application Y. Hishinuma1, H. Taniguchi2 and A. Kikuchi3 1 Fusion Systems Research Division, National Institute for Fusion Science 2 Osaka Allying Works, Co., Ltd 3 Low-Temperature Superconducting Wire Group, National Institute for Materials Science

Degradation of transport current (Ic) by the high mechanical strain on the practical and commercial Nb3Sn wire is a serious problem for its application in the future fusion magnets operated under high electromagnetic force environment beyond the International Thermonuclear Experimental Reactor (ITER). Recently, we started the development of new bronze processed Nb3Sn wires using various Zn solid solution strengthening ternary bronze matrices (Cu-Sn-Zn) under the framework of collaborative research between NIFS, OAW and NIMS. In this report, we will introduce several features of Cu-Sn-Zn ternary bronze and trial fabrications of the Nb3Sn multifilamentary wires having Cu-Sn-Zn ternary bronze alloy matrices. After the Nb3Sn synthesis and heat treatment, we confirmed that Zn remained homogeneously distributed in the matrices. This result suggested that remained Zn would be able to contribute to the mechanical strengthening of the matrix alloy after the Nb3Sn synthesis. We believe that the solid solution strengthening of bronze matrix is a promising technique to enhance the mechanical properties of the Nb3Sn wire.

TEM characterization of a Mg2Si0.5Sn0.5 solid solution for high-performance thermoelectrics M. Song1, J-W. Liu2, M. Takeguchi1, N. Tsujii3 and Y. Isoda4 1 Transmission Electron Microscopy Station, National Institute for Materials Science 2 School of Materials Science and Engineering, Changzhou University 3 Quantum Beam Unit, Advanced Key Technology Division, National Institute for Materials Science 4 Center for Green Research on Energy & Environmental Materials Division, National Institute for Materials Science

The effect of annealing (1068 K, 250 h) on microstructure and thermoelectric properties of a compound, a 0.33 mol% Sb-doped Mg2Si0.5Sn0.5 solid solution, was studied with TEM, thermoelectric measurements, XRD, SEM, and EPMA. The solid solution was synthesized by combining a liquid-solid reaction and hot pressing. The as-prepared sample contained Si, Sn and MgO inclusions tens of nm in size. After annealing, Si and Sn inclusions disappeared, while the MgO nanoparticles remained almost unchanged; the charge carrier concentration and electrical conductivity decreased and the lattice thermal conductivity increased. As a result, the thermoelectric figure of merit ZT ~ 0.34 at 394 K for the as-prepared sample deteriorated to ~ 0.24 at 388 K after the annealing. The results suggested that there existed a high density of point defects, such as Mg interstitials, and other defects in the as-prepared sample, and that they improved the thermoelectric properties of the material. Thus controlling defects is important for optimizing the thermoelectric properties of materials.

Research and development of Nb3Al superconducting wires for high magnetic field applications Y. Iijima1, A. Kikuchi1 and K. Tsuchiya2 1 Research Center for Functional Materials, National Institute for Materials Science 2 High Energy Accelerator Research Organization (KEK)

The stoichiometric Nb3Al superconductor has both high critical temperature (Tc ～20 K) and upper critical field (Hc2 = 30 T at 4.2 K). It is possible to form the near-stoichiometric Nb3Al compound through the diffusion reaction at high temperatures, however this causes remarkable grain growth and results in drastic degradation of the critical current density, Jc. Quenching from high temperature is the one of techniques to solve the problems of both grain growth and nonstoichiometric composition. We are developing the RHQT (rapid heating/quenching and transformation) process, in which Nb/Al precursor wires are continuously resistive-heated up to about 2000 °C and subsequently quenched into a molten gallium bath at room temperature. The Nb/Al composite filaments having the stoichiometric A15 composition are changed into the metastable Nb-Al supersaturated bcc solid solution, and then massively transformed into the A15 phase upon annealing at 800 °C. The current status and recent R&D activities of the RHQT processed Nb3Al superconducting wires will be reported.

P1-65

—57—

Day 1

Academ

ic Poster Presentation

Day2 Interactive NIMS

招待講演

Day 2

招待講演

材料物性へのデータマイニング手法の適用の現状と展望 Dam Hieu Chi 北陸先端科学技術大学院大学 准教授 望みの物性や機能を持つ物質や材料の開発は、物質・材料研究における基盤的な目標の一つてある。これ

まてのところ、そうした開発を可能とする方法は確立されておらす、「膨大な試み」、経験に基つく「ひらめき」と

か「勘」、それに「偶然」なとの産物として、驚くへく多様て、しはしは驚異の目て見るような新物質・新材料か

開発されてきた。しかし、科学・技術のこれほとまての高度化に伴い、従来のやり方て、新物質・新材料の開

発を続けていくことか困難になりつつあり、より系統的て、かつ効率的・網羅的な方法か必要になってきている。

同時にまた、物質・材料か多様化し高度化するにつれ、それらの物性や機能の理解そのものも困難になりつ

つあり、理解のためのヒントを与えてくれる新しい方法もまた望まれている。 これらの要望に応える可能性を持つものとして、マテリアルス・インフォマティクス(MI)か登場した[1]。MI の基盤技術の一つはデータマイニングと考えられる。データマイニングは機械学習手法を活用してデータを使って

学習し、その学習て得られた知識を使って、データか内包する特徴を抽出し、未知のデータに適用して予測を

することを狙っている。物質のデータから効率的に学習するには、各物質のデータを識別てきるように物質を

記述する属性・記述子を適切に設計しないといけないたけてなく、その属性・記述子を基にした物質同士を定

量的に比較する方式も提案する必要かある。材料科学の研究には物質の構造と物性か最も大事な情報てあ

るか、物質の物性を記述するには従来の記述方法てても物質同士を定量的に比較することかある程度てき

る。一方、物質の構造を記述するには全原子の座標を記述すれはすへての情報か含まれるにも関わらす、

そのままの記述方法ては物質同士を定量的に比較することかてきない。また、物質の構造と物性値を合わせ

て記述しようとすると、膨大な属性・記述子か必要になり、物質空間を表現するためには非常な高次元のデー

タか必要となる。さらに、これらの属性・記述子を基にすると、研究者の直感的行為てある思索や試行錯誤か

追いつかなくなる恐れかある。そのため最先端のデータマイニング技術と高性能コンピューティングを活用し

て、大量のデータから学習するアプローチか期待される。 一方、物質は一般的な物理法則に従うたけてなく、それそれの物質群はそれそれに共通な特色を持ち、共通

な法則に従う。それらの共通な特色と法則はマテリアルサイエンティストか探すものてある。ここて、特色や法

則の存在は属性・記述子同士かお互いに完全に独立てないことを意味する。数学的なイメーシては高次元空

間における各物質のデータか低次元超局面に乗っていることになる。そのため、物質の高次元データを次元

削減てきることか暗黙的に法則を見つけることと等価てある。近年、高次元データから現象の本質を低次元

て抽出するスハースモデリングという技術かトレントとなっている。そのなか、正則化を加えた線形・非線形回

帰解析によるスハース性の学習・重要な記述子を識別選択する方法か非常に有効てある[2]。これらの手法を用いた各記述子の網羅的な関係性を構築することによって、データの背後にある本質的な構造を抽出する

ことかてき、それを用いて因果関係を議論することに近つくことかてき、マテリアルサイエンスにおいてはデー

タ駆動型の材料設計への道か開かれる。本講演てはこの観点て材料物性の研究におけるデータマイニング

手法の適用の現状と展望を紹介したい。 [1] https://www.whitehouse.gov/mgi [2] Tibshirani,JournaloftheRoyalStatisticalSociety, Series B, Vol.58, Issue1267-288(1996)

—61—

Day 2

招待講演

Materials Informatics: Mining, infrastructure, and alloy design Peter Voorhees Frank C. Engelhart Professor of Materials Science and Engineering, Northwestern University Professor of Engineering Sciences and Applied Mathematics, Northwestern University Materials data lies at the core of any materials development effort. It provides the foundation for the

models that are used to compute the properties and structure of materials, and can be used to identify new compounds with novel properties. A classic example is the central role played by CALPHAD free energy functions in simulations of microstructural evolution in hierarchical materials. Another is identifying compounds with unique properties through mining databases created by density functional calculations. However, challenges remain. In many cases it is unclear how to share data and discover existing databases. While many materials databases exist, their long-term sustainability is often unclear. In addition, there is no community-wide consensus on the proper metadata for a given dataset. I will discuss our efforts in data mining, a proposal for a world-wide federated system of materials databases, an approach to handling large materials data, and methods for creating schemas for materials data.

—62—

Day 2

招待講演

Day 2

Materials Informatics: Mining, infrastructure, and alloy design Peter Voorhees Frank C. Engelhart Professor of Materials Science and Engineering, Northwestern University Professor of Engineering Sciences and Applied Mathematics, Northwestern University Materials data lies at the core of any materials development effort. It provides the foundation for the

models that are used to compute the properties and structure of materials, and can be used to identify new compounds with novel properties. A classic example is the central role played by CALPHAD free energy functions in simulations of microstructural evolution in hierarchical materials. Another is identifying compounds with unique properties through mining databases created by density functional calculations. However, challenges remain. In many cases it is unclear how to share data and discover existing databases. While many materials databases exist, their long-term sustainability is often unclear. In addition, there is no community-wide consensus on the proper metadata for a given dataset. I will discuss our efforts in data mining, a proposal for a world-wide federated system of materials databases, an approach to handling large materials data, and methods for creating schemas for materials data. Day2 Interactive NIMS

NIMS 研究成果講演ＮＩＭＳ研究成果講演

Day 2

最先端研究トピックス

研究の背景

研究の狙い

応用分野と今後の展開 実用化へ向けた課題

国立研究開発法人物質・材料研究機構National Institute for Materials Science

計算科学技術支援による蓄電池機構解明と材料設計

エネルギーに関連する諸問題の解決に向けた大型蓄電池、高効率触媒の開発のニーズ大。

高性能化に加えて安全性向上や長寿命化などの高信頼性を両立するための技術的課題多数。

近年計算物質科学・データ科学手法利用が注目を浴びるが、ブレークスルーの発見にはまだ至らず。

次世代蓄電池材料（電極・電解質・界面被膜）の開発

多様な電池・触媒の材料・反応設計

電気化学界面現象の新学理構築（教科書書き換え）

我々は、既存の枠組みを超えた第一原理計算手法・新規計算技術の開発と、京コンピュータ等の高効率利用を図ってきた。このオンリーワン技術により、汎用プログラムでは取り扱いが難しかった化学反応機構の解明が可能になり、それをもとにした新たな材料設計が大いに期待できる状況にある。この方向性は基礎的にも応用的にも大きなブレークスルーをもたらす可能性を秘めている。

Computer­aided mechanism elucidation and material design for next­generation batteries

電池内の微視的反応機構のさらなる解明

機能と信頼性の両者を考慮した電池材料設計

技術移転

研究担当 エネルギー・環境材料研究拠点 界面計算科学グループ館山 佳尚

情報統合型物質・材料研究拠点 モデリンググループ袖山 慶太郎

外部連携部門 事業展開室

負極 電解液 集積体

還元分解 沖合へ拡散 集積 接岸

負極 膜 電解液

原子

135;162136; 1187;1

文科省ポスト京重点課題⑤運営委員（産業連携WG責任者)

stat-CPMDの高効率化・技術移転蓄電池系大規模シミュレーション

京コンピュータの高効率利用プログラム開発 ~ stat­CPMD ~

電極ー電解液界面の酸化還元反応および被膜形成反応の第一原理シミュレーション解析

機構

濃厚電解液の物性解析・材料探索

電子状態 イオン輸送

膜解析

水利用の新たな濃厚電解液開発４級電池に対応可能な超濃厚電解液開発

材料インフォマティクスアプローチ

機械学習による電解液機能予測

ハイスループット計算による新規物性データベース作成

—65—

ＮＩＭＳ研究成果講演

Day 2

最先端研究トピックス

研究の背景

研究の狙い

応用分野と今後の展開 実用化へ向けた課題

国立研究開発法人物質・材料研究機構

芳香族バイオマスを用いた機能性樹脂

日本の文化を背景に開発された日本発の技術である抗菌技術。

海外でも「」の名称が普及。

人や環境に優しく高機能を維持できる材料が熱望。

部分修飾した天然物化合物の新しい用途開発

防錆・抗菌・接着・生分解性など多分野への適用

安価で高性能な資源として、芳香性バイオマスに注目。

が持つコア技術は、抗菌などポリフェノールの優れた機能を損なわず変性・加工する技術、

樹脂・塗料・界面活性剤・接着剤等の開発に成功。

Aromatic Biomass-based Functional Resin

安定性の向上については、すでに対策済み

大量合成・価格・原料供給

技術移転

研究担当 構造材料研究拠点異材接着材料グループ内藤 昌信

外部連携部門 事業展開室

—66—

ＮＩＭＳ研究成果講演

Day 2

最先端研究トピックス

研究の背景

研究の狙い

応用分野と今後の展開 実用化へ向けた課題

国立研究開発法人物質・材料研究機構National Institute for Materials Science

機能性「液体」材料

有機・高分子材料の最大の利点は、材料の「柔らかさ」。表示材料やエレクトロニクス材料の

素材となるπ共役系色素分子における改善要求：光や熱に対する耐久性の向上。分子凝

集が無く、光・電子機能の予測も可能、且つ材料加工性に優れる有機「液体」材料に着目。

フレキシブル・折り畳み可能なエレクトロニクスデバイス。

ポリマー・石油（オイル）・潤滑油などの機能化・添加剤。

セキュリティ用などの特殊用途インク。

液体材料の利点：流動性を活かした形状に依存しない加工性、機械変形の自由度（柔軟性）。

常温「機能性液体」：光・電子機能を司るπ共役分子に柔軟且つ嵩高いアルキル鎖を導入。

π共役部位が隔離・保護→有機色素としての光・熱耐久性が向上。機能性フルイド「新素材」。

Functional “Liquid” Materials

デバイス形状・生産ラインの刷新が必要。

過酷条件下での安定性、材料信頼性の向上。

特殊用途「要求」の情報。ビジビリティーの向上。

技術移転

研究担当 国際ナノアーキテクトニクス研究拠点フロンティア分子グループ

中西 尚志

外部連携部門 事業展開室

・Nature Communications4・Nature Chemistry6参考文献

液体アントラセン（青色発光液体）

アントラセン色素に複数の分岐アルキル鎖を導入→アントラセン色素部位が隔離・孤立化→裸のアントラセン色素と比較して、光安定性が約倍向上

紫外光照射下、青色発光する常温液体ガラス転移温度：－～ －˚高温安定性：～ ˚粘性： ～ （蜂蜜程度）市販の色素分子を混ぜ込み、「フルカラー・白色発光」を達成ボールペンインクとして印字可能プロトタイプの白色発光試作

液体フラーレン（液状ナノカーボン）

フラーレン（）に分岐アルキル鎖を導入、液化ポリマーとの相溶性：優（テニスラケットガットファイバー加工例）

粘性： ～ （液体アントラセンより硬い） またはアルカン分子の添加で自己組織化→組織配向した：光導電性の発現

+ C60 + アルキル（ヘキサンなど）

ファイバー状ゲル

球状ミセル

ナノシート状

液体フラーレン

光導電性：

光導電性：

光導電性：×

光導電性：×

—67—

ＮＩＭＳ研究成果講演

Day 2

最先端研究トピックス

研究の背景

研究の狙い

応用分野と今後の展開 実用化へ向けた課題

国立研究開発法人物質・材料研究機構National Institute for Materials Science

好きな形に切れるディスプレイ

有機／金属ハイブリッドポリマーは、金属イオンと有機配位子が交互につながった構造を有する新しいポリマーであり、ポリマー中の金属イオンと有機配位子間の電子的相互作用により、従来の有機ポリマーにはないユニークな電子・イオン・光機能の発現が期待される。

スマートウインドウ等の調光用途への応用

デジタルサイネージ、電子ペーパー等の表示用途

「色の着替えを楽しむ新しいライフスタイル」の提案

（１）新しい有機／金属ハイブリッドポリマーの開発（２）得られたポリマーを用いた表示デバイスの創製（３）表示デバイス応用に向けたシステム構築

Cuttable display sheets

ハイブリッドポリマーの大量合成

耐熱性の向上

用途の創出

技術移転

研究担当 機能性材料研究拠点電子機能高分子グループ

樋口 昌芳

外部連携部門 事業展開室

酸化

還元

豊富なカラーバリエーション（青、赤、黄、緑）

Cuフレキシブル基板

透明電極

エレクトロクロミック層（有機／金属ハイブリッドポリマー）

固体電解質層

エレクトロクロミック層と固体電解質層を貼り合わせ

好きな形に切れるディスプレイ

デバイス作製法

エレクトロクロミック特性

（電気化学的酸化還元で色が変わる特性）

—68—

ＮＩＭＳ研究成果講演

Day 2

最先端研究トピックス

研究の背景

研究の狙い

応用分野と今後の展開 実用化へ向けた課題

国立研究開発法人物質・材料研究機構National Institute for Materials Science

105 106 107 108 109 1010400

500

600

700

800

900

1000

破断繰返し数, Nf

応力振幅,σ

ac or σ

a (MPa)

ばね鋼SUP7, 室温大気中

※全て内部破壊

100Hz30Hz

超音波,疲労試験

回点曲げ疲労試験

軸荷重疲労試験600Hz20KHz

2

3

2

高強度鋼のギガサイクル疲労強度予測式

・各種の重要部品で使用される高強度鋼では、ギガサイクル疲労強度の評価が必要。

・では加速試験技術を確立したことにより、豊富なデータの蓄積に成功。

・メカニズムの解明と蓄積したデータの活用により、疲労強度予測式の導出が可能。

輸送機器等、軽量化と高信頼性が求められる分野。

高速回転や振動を受ける部品・部材。

社会への普及促進と予測式の拡充。

・メカニズム解明のため、内部微小き裂伝ぱを可視化する技術を確立。

・それにより、高強度鋼のギガサイクル疲労が内部微小き裂伝ぱ支配であることを確認。

・これらに基づき、新しい力学モデルを構築し、ギガサイクル疲労強度予測式を導出。

Predictions for gigacycle fatigue strength of high-strength steel

予測式の拡充（鋼種を増やす必要有）。

鋼種選定の最適化（外部連携の必要有）。

信頼性の獲得（規格・基準に採用できるレベル）。

技術移転

研究担当構造材料研究拠点疲労特性グループ古谷 佳之

外部連携部門 事業展開室

加速試験技術

超音波疲労試験（20 kHz）

109回を1日で！

妥当性を確認！

内部き裂伝ぱの可視化技術

２段多重変動応力疲労試験

20μm

Inclusion

ビーチマークの代表例

ビーチマークを作製！

破面上でき裂伝ぱを可視化！

メカニズムの解明

内部微小き裂 通常の内部き裂 内部き裂伝ぱ速度の測定結果

微小き裂伝ぱ支配であることを確認！

内部微小き裂

新しい内部微小き裂伝ぱモデル

妥当な予測結果！

疲労強度の計算結果導出した予測式

Steel Vickers hardness

Stress ratio

data points

Parameters A1 a2 a3

SCM440 611 R = ­1 95 292.2 ­0.049 ­0.171 R = 0 20 443.8 ­0.053 ­0.107

SUP7­430T 527 R = ­1 42 175.9 ­0.037 ­0.193 SUP7­500T 438 R = ­1 29 237.4 ­0.027 ­0.143

SUJ2 753 R = ­1 43 216.1 ­0.049 ­0.211 SNCM439 598 R = ­1 20 360.3 ­0.059 ­0.171 S40C 585 R = ­1 24 370.8 ­0.072 ­0.188

※古谷佳之：鉄と鋼、102(2016)、pp. 415­422.

試験結果の代表例

通常の疲労試験結果とよく一致！

応力

振幅

、σ

a (MPa)

SCM440 (R = -1)

2

√areainc = 88 μm2

黒塗り印：非破断

√areainc = 24 μm

√areainc = 15 μm

破断繰返し数、Nf

　　実線　：疲労寿命曲線の計算値プロット点：実験結果

104 105 106 107 108 109 1010300

400

500

600

700

800

900

1000

1100

1200

—69—

ＮＩＭＳ研究成果講演

Day 2

最先端研究トピックス

研究の背景

研究の狙い

応用分野と今後の展開 実用化へ向けた課題

国立研究開発法人物質・材料研究機構National Institute for Materials Science

加工性に優れた高強度TiAl基合金

各種産業機械、輸送機械、ならびに発電設備などの燃費向上、排出削減のためには近年実用化された軽量耐熱合金である基合金の利用拡大が非常に有効。ただし、そのためには現状の基合金の課題である加工性と高温強度の大幅改善が必要。

各種大型動翼（800程度）

各種軽量耐熱構造部品（800程度）

新基合金を開発することで以下を実現する。

成形加工温度における変形能の大幅改善

その後の熱処理での組織制御による高温クリープ強度の大幅改善

High-strength TiAl based alloys with excellent workability

用途に応じた成分の改良

各種材料データの取得

新TiAl基合金

従来のTiAl基合金

鍛造試験後の外観状況

鍛造温度において新規な相状態を実現することで変形能が大幅に改善

Ni基鍛造超合金との比クリープ強度の比較

従来の高温用鍛造材であるNi基鍛造超合金よりも大幅に優れた高温クリープ強度を達成

超塑性加工成形部材

型鍛造動翼

技術移転

研究担当 構造材料研究拠点 超合金グループ鉄井 利光

外部連携部門 事業展開室

新TiAl基合金での部材試作例

—70—

ＮＩＭＳ研究成果講演

Day 2

最先端研究トピックス

研究の背景

研究の狙い

応用分野と今後の展開 実用化へ向けた課題

国立研究開発法人物質・材料研究機構National Institute for Materials Science

酸化亜鉛をコーティングしたボールベアリングと

小型ジェットエンジン発電機応用

限られたエネルギーを有効利用し、二酸化炭素の排出を抑えるためには、機械駆動のエネルギーロ

スとなる摩擦を大幅に低減することが極めて有効である。そのためには、高温雰囲気等過酷な駆動

環境に耐える高性能次世代無機材潤滑コーティングをベアリングボールに施し、ベアリングシステム

の性能向上を図ることが不可欠である。

ガスタービンシャフト用ベアリングの高性能化

内燃機関全般のベアリングシステムの高性能化

極限環境使用の駆動機構の耐久性向上や高性能化

ボールにコーティングするための真空サンプル回転機構を備えたスパッタ装置を試作した。ボール

球面に酸化亜鉛をコーティングし、コーティング層が均一かつ一様に形成できていることを確認した。

酸化亜鉛をコーティングしたボールをベアリングに組み込み、ベアリングシテムとしての低摩擦化を

実証した。

ZnO Coated Ball Bearing for Application to Mini Jet Engine Generator

大型部材への最適コーティング技術の開発

3次元複雑形状へのコーティングシステムの開発

コーティング膜の密着性強化と信頼性向上

技術移転

研究担当 構造材料研究拠点トライボロジーグループ土佐正弘情報統合型物質・材料研究拠点

伝熱制御・熱電材料グループ後藤真宏

tosa.masahiro@nims.go.jp

外部連携部門 事業展開室 technology­transfer@nims.go.jp

笠原章 本田博史 鈴木裕

佐々木道子

ZnOをボールにコーティングしたベアリングの回転試験

ベアリングボールへのコーティングとベアリング性能向上

ZnOをコーティングしたベアリングボールの表層断面の電顕像

ジェツトエンジン発電機に組込み産業機械での実証試験

発電機ジェットエンジン

排気口

発電機の燃費を1%以上アップすることに成功

—71—

ＮＩＭＳ研究成果講演

Day 2

最先端研究トピックス

研究の背景

研究の狙い

応用分野と今後の展開 実用化へ向けた課題

国立研究開発法人物質・材料研究機構National Institute for Materials Science

モイスチャーセンサ：微小な水滴を検出・判別

湿気（モイスチャー）のような微小な水滴のサイズは、潤いや結露等に及ぼす影響が大。

従来の湿度計・結露検出器では判別することが不可能。

微小な水滴を高精度・高感度・高速で検出し、サイズを判別する小型センサを開発。

美容・衛生・医療・食料・繊維・紙・プラスチック・インフラ・

モビリティ・ハウス／オフィス・アグリ・ロジスティクス

出てくる／くっつく水滴の検出／判別

微小な水滴を検出： 最小径0.5 ミクロン ＜結露検出器よりも100倍以上高精度＞

水滴のサイズを判別： 0.5～40 ミクロン＜湿度計・結露検出器では不可能＞

短い応答時間： 0.02 秒以内 ＜湿度計よりも10倍以上高速応答＞

Moisture detection/distinction sensor

センサチップのオンデマンド供給

計測システムのカスタマイズ

用途に応じた判定アルゴリズム

技術移転

研究担当 MANA半導体デバイス材料グループ川喜多 仁 KAWAKITA.Jin@nims.go.jp

外部連携部門 事業展開室 technology­transfer@nims.go.jp

センサからの出力信号を表示・保存できるソフトウェア

センサキット

センサチップ

0 10 20 30 40 50

10­410­3

10­4

10­3

10­2

10­1

100

101

102

Current / nA

Time / sec

水滴ブリッジなし

水滴のブリッジ

電流応答あり“高感度＆高速応答”

電流応答なし

高精度判別

センサ動作原理

センサチップ

肌から出る水分をチェック

—72—

ＮＩＭＳ研究成果講演

Day 2

Day2 Interactive NIMS

連携ポスターセッション 連携ポスターセッション

Day 2

鉄鋼材料高強度鋼のギガサイクル疲労強度予測式

Predictions for gigacycle fatigue strength of high-strength steel

古谷 佳之，構造材料研究拠点 疲労特性グループ

＜研究の背景＞

・各種の重要部品で使用される高強度鋼では、ギガサイクル疲労強度の評価が必要。

・NIMS では加速試験技術を確立したことにより、豊富なデータの蓄積に成功。

・メカニズムの解明と蓄積したデータの活用により、疲労強度予測式の導出が可能。

＜研究の狙い＞

・メカニズム解明のため、内部微小き裂伝ぱを可視化する技術を確立。

・それにより、高強度鋼のギガサイクル疲労が内部微小き裂伝ぱ支配であることを確認。

・これらに基づき、新しい力学モデルを構築し、ギガサイクル疲労強度予測式を導出。

右図のように内部微小き裂の伝ぱを可視化・評価する技術を

確立したことにより、内部破壊メカニズムの解明からギガサイ

クル疲労強度予測式の導出へと進むことができた。

20μm

Inclusion

低サイクル疲労寿命10倍化を可能にするFCC合金設計指針 Design criteria of FCC alloys realizing ten times longer low­cycle fatigue life

澤口 孝宏，構造材料研究拠点 振動制御材料グループ

高森 晋 ， 構造材料研究拠点 振動制御材料グループ

＜研究の背景＞

鉄系の形状記憶合金が示す、FCC構造のγ オーステナイトからHCP構造のε マルテンサイトへの

マルテンサイト変態は、繰り返し弾塑性変形下で可逆的な原子配列変化を可能にし、低サイクル疲

労寿命の改善に有効。FCC合金の耐疲労設計指針に活用。

＜研究の狙い＞

成分を系統的に変化させた、様々な高Mnオーステナイト鋼を用いて、合金成分、低サイクル疲労寿

命、疲労変形組織の関係を調査。低サイクル疲労特性に及ぼす添加元素の効果を、相安定性と原

子－転位相互作用の観点から解明。

この知見を基に、新しく開発されたFe-15Mn-10Cr-8Ni-4Si合金の低

サイクル疲労寿命は、従来材の約10倍の高い値を示し、制振ダンパ

ーとして実用化されている。

P2-01

P2-02

—75—

連携ポスターセッション

Day 2

高温耐熱材料

連携ポスターセッション

高温形状記憶合金の設計 Design of high temperature shape memory alloys

御手洗 容子，構造材料研究拠点 耐熱材料設計グループ

＜研究の背景＞

ジェットエンジンなど高温機器内の可動部品に高温形状記憶合金を使用することにより、熱効率が

向上。現在使用可能な形状記憶合金の動作温度は 100以下。200以上で動作可能な合金は

無。

＜研究の狙い＞

200以上で動作可能な合金の設計指針を明確化することを目的。動作温度に関係するマルテン

サイト変態温度が 500以上である TiPd, TiAu, TiPt に着目。高温強度を向上のため、固溶強化に

最適な合金元素を探索。相変態、結晶構造の変化、変態温度、組織、高温での強度を検討し、高

温形状記憶合金の設計指針を確立。

高温で歪みを直接測定する装置を開発。250以上で

700MPa 以下でも 100%回復する合金を開発(図)、400以上

でも 100%回復する合金を開発。繰り返し特性も良好。

酸化亜鉛をコーティングしたボールベアリングと小型ジェットエンジン発電機 応用 ZnO Coated Ball Bearing for Application to Mini Jet Engine Generator

土佐 正弘，笠原 章，本田 博史，鈴木 裕，構造材料研究拠点 トライボロジーグループ

後藤 真宏，佐々木道子，情報統合型物質・材料研究拠点 伝熱制御・熱電材料グループ

＜研究の背景＞

限られたエネルギーを有効利用して二酸化炭素の排出を抑える手段として機械駆動のエネルギー

ロスとなる摩擦を大幅な低減するべく高温雰囲気等過酷な駆動環境に耐える高性能次世代無機材

潤滑コーティングをベアリングボールに行うことによってベアリングシステムの性能向上が不可欠。

＜研究の狙い＞

スパッタ装置内にボールにコーティングするための真空サンプル回転機構を試作し、ボール球面に

酸化亜鉛をコーテイングしてコーティング層が均一かつ一様に形成できていることを観察できた後、

コーティングしたボールをベアリングに組み込みベアリングシテムとしての低摩擦化を実証。

＜最先端研究トピックス＞

小型ジェットエンジンのタービンシャフトのベアリングシステムのボール表面に酸化亜鉛コーティング

を行い、これを小型ジェットエンジンに組み込んで元に戻し、その結果、発電効率１％以上に成功。

加工性に優れた高強度 TiAl 基合金 High-strength TiAl based alloys with excellent workability

鉄井 利光，構造材料研究拠点 超合金グループ

＜研究の背景＞

各種産業機械、輸送機械、ならびに発電設備などの燃費向上、CO2排出削減のためには近年実用

化された軽量耐熱合金である TiAl 基合金の利用拡大が非常に有効。ただし、そのためには現状の

TiAl 基合金の課題である加工性と高温強度の大幅改善が必要。

＜研究の狙い＞

新 TiAl 基合金を開発することで以下を実現する。

成形加工温度における変形能の大幅改善

その後の熱処理での組織制御による高温クリープ強

度の大幅改善

新 TiAl 基合金製部材の一例

P2-03

P2-04

—76—

Day 2

高温耐熱材料

連携ポスターセッション

高温形状記憶合金の設計 Design of high temperature shape memory alloys

御手洗 容子，構造材料研究拠点 耐熱材料設計グループ

＜研究の背景＞

ジェットエンジンなど高温機器内の可動部品に高温形状記憶合金を使用することにより、熱効率が

向上。現在使用可能な形状記憶合金の動作温度は 100以下。200以上で動作可能な合金は

無。

＜研究の狙い＞

200以上で動作可能な合金の設計指針を明確化することを目的。動作温度に関係するマルテン

サイト変態温度が 500以上である TiPd, TiAu, TiPt に着目。高温強度を向上のため、固溶強化に

最適な合金元素を探索。相変態、結晶構造の変化、変態温度、組織、高温での強度を検討し、高

温形状記憶合金の設計指針を確立。

高温で歪みを直接測定する装置を開発。250以上で

700MPa 以下でも 100%回復する合金を開発(図)、400以上

でも 100%回復する合金を開発。繰り返し特性も良好。

High Performance Ni-Fe-based Alloys for A-USC Applications

Yuefeng GU, Superalloy Research Group, Research Center for Structure Materials

<Background>

For the purpose of reducing CO2 emissions and improve thermal efficiency, various high-performance heat-resistant alloys such as Ni-base and Fe-based superalloys should be developed for improving thermal efficiency of thermal power plants and gas turbines.

<Aim>

Much attention has been paid to the development of high performance Ni-Fe-based superalloys used as the key components in next generation of thermal power plants and the advanced gas turbines

酸化亜鉛をコーティングしたボールベアリングと小型ジェットエンジン発電機 応用 ZnO Coated Ball Bearing for Application to Mini Jet Engine Generator

土佐 正弘，笠原 章，本田 博史，鈴木 裕，構造材料研究拠点 トライボロジーグループ

後藤 真宏，佐々木道子，情報統合型物質・材料研究拠点 伝熱制御・熱電材料グループ

＜研究の背景＞

限られたエネルギーを有効利用して二酸化炭素の排出を抑える手段として機械駆動のエネルギー

ロスとなる摩擦を大幅な低減するべく高温雰囲気等過酷な駆動環境に耐える高性能次世代無機材

潤滑コーティングをベアリングボールに行うことによってベアリングシステムの性能向上が不可欠。

＜研究の狙い＞

スパッタ装置内にボールにコーティングするための真空サンプル回転機構を試作し、ボール球面に

酸化亜鉛をコーテイングしてコーティング層が均一かつ一様に形成できていることを観察できた後、

コーティングしたボールをベアリングに組み込みベアリングシテムとしての低摩擦化を実証。

＜最先端研究トピックス＞

小型ジェットエンジンのタービンシャフトのベアリングシステムのボール表面に酸化亜鉛コーティング

を行い、これを小型ジェットエンジンに組み込んで元に戻し、その結果、発電効率１％以上に成功。

加工性に優れた高強度 TiAl 基合金 High-strength TiAl based alloys with excellent workability

鉄井 利光，構造材料研究拠点 超合金グループ

＜研究の背景＞

各種産業機械、輸送機械、ならびに発電設備などの燃費向上、CO2排出削減のためには近年実用

化された軽量耐熱合金である TiAl 基合金の利用拡大が非常に有効。ただし、そのためには現状の

TiAl 基合金の課題である加工性と高温強度の大幅改善が必要。

＜研究の狙い＞

新 TiAl 基合金を開発することで以下を実現する。

成形加工温度における変形能の大幅改善

その後の熱処理での組織制御による高温クリープ強

度の大幅改善

新 TiAl 基合金製部材の一例

P2-05

P2-06

—77—

Day 2

高温耐熱材料

連携ポスターセッション

元素の不均一分布を利用したチタン合金の機械的性質の向上 Improvement of Mechanical Property in Ti Alloys Using Heterogeneous Distribution of Alloying Elements 江村 聡， 構造材料研究拠点耐食合金グループ 土谷 浩一， 構造材料研究拠点耐食合金グループ ＜研究の背景＞ 航空機産業や海洋構造物への適用拡大が期待される高強度高耐食 β型チタン合金の特性向上 ・Mo 等の希少元素の有効活用および使用量の削減 ・Fe 等の汎用（ユビキタス）元素の積極活用 ＜研究の狙い＞ 塑性加工プロセスを通じチタン合金中に合金元素の不均一分布構造を意図的に構築 ・チタン合金中の Mo の偏析を利用した渦状および層状分布構造の作り込みと延性・靭性の向上 ・重ね合わせ圧延によるチタン合金中のFeの層状分布構造の作り込みと強度延性バランスの向上

大型鍛造シミュレータを用いたプロセス開発 Process Development Using the Forging Simulator

黒田 秀治， 技術開発・共用部門 材料創製・加工ステーション

本橋 功会， 構造材料研究拠点 耐熱材料設計グループ

御手洗 容子， 構造材料研究拠点 耐熱材料設計グループ

＜研究の背景＞

・航空機の低燃費化、発電プラントの発電効率向上のため鍛造材の耐熱性、強度向上の要求。

・日本では５万プレス機が稼働し、海外でも同等のプレス機が設置開始。

・欧米ではより難加工材の鍛造技術（恒温鍛造など）の適用に着手。

＜研究の狙い＞

・実験と予測計算を統合した材料加工設計技術を構築。

・実用化を短縮できる「鍛造方案最適化技術」を確立。

・企業のプレス機に直接利用可能な生産技術・拠点を構築。

・精緻なひずみ、平衡度、温度、広範な冷却速度制御。

・鍛造材が大きく、同じ部位の組織解析と

力学特性評価が可能。 → 正確な組織と特性評価。

・共同研究をベースとした外部利用を予定。 写真．1500 トン鍛造シミュレータ

航空機エンジンに用いる高強度耐熱チタン合金の設計・開発 Design and development of heat-resistant high-strength Ti alloys for jet engines

北嶋 具教，構造材料研究拠点 耐熱材料設計グループ

御手洗 容子，構造材料研究拠点 耐熱材料設計グループ

＜研究の背景＞

航空機エンジン用チタン合金の軽量化や耐熱性向上は CO2 排出量削減に貢献

材料のさらなる特性向上への期待

耐熱チタン合金は 6～7 元素で構成される複雑な多元系

＜研究の狙い＞

組成、プロセス、組織形態、特性の関係性を明確化

複雑な多元系合金に適用可能な合金設計手法の開発

データベース構築、特性予測手法の開発、新合金開発

（参考文献）

北嶋具教、御手洗容子、”航空機用チタン合金の材料特性および開発指針”, まてりあ, 55

(2016) 370-376.

T. Kitashima, T. Kawamura, Scripta Mater., 124 (2016) 56-58.

P2-07

P2-08

—78—

Day 2

高温耐熱材料

連携ポスターセッション

元素の不均一分布を利用したチタン合金の機械的性質の向上 Improvement of Mechanical Property in Ti Alloys Using Heterogeneous Distribution of Alloying Elements 江村 聡， 構造材料研究拠点耐食合金グループ 土谷 浩一， 構造材料研究拠点耐食合金グループ ＜研究の背景＞ 航空機産業や海洋構造物への適用拡大が期待される高強度高耐食 β型チタン合金の特性向上 ・Mo 等の希少元素の有効活用および使用量の削減 ・Fe 等の汎用（ユビキタス）元素の積極活用 ＜研究の狙い＞ 塑性加工プロセスを通じチタン合金中に合金元素の不均一分布構造を意図的に構築 ・チタン合金中の Mo の偏析を利用した渦状および層状分布構造の作り込みと延性・靭性の向上 ・重ね合わせ圧延によるチタン合金中のFeの層状分布構造の作り込みと強度延性バランスの向上

PtIr 新規耐酸化コーティング PtIr novel oxidation resistant coating

村上 秀之，構造材料研究拠点 表面界面キネティックスグループ

＜研究の背景＞

二酸化炭素排出量削減のためには、ジェットエンジンやタービンなどの高温運転が有効である。そ

のためには、必要な諸特性を持つ材料基材を設計し、その表面を改質して劣化速度を抑える技術

開発が重要となる。そこでより高性能かつ安価な耐酸化コーティング手法の開発に着手した。

＜研究の狙い＞

基材に Pt を被覆し、熱処理を施して得られる Pt拡散コーティングは、最近のジェットエンジン用ブレ

ードに実用化されている。本研究では、Pt より更に有望と考えられる PtIr 拡散コーティングを試みた。

PtIr 含有ペーストを試料表面に塗布し、熱処理をほどこすペースト法で作製した結果、良好な耐酸

化特性を確認した。

図に示すように従来コーティング手法で

ある電解めっき法と同様の組織がペー

スト法で作製可能なことを確認。必要部

位だけの塗布が可能なことから、より安

価で高収率のプロセスと期待できる。

大型鍛造シミュレータを用いたプロセス開発 Process Development Using the Forging Simulator

黒田 秀治， 技術開発・共用部門 材料創製・加工ステーション

本橋 功会， 構造材料研究拠点 耐熱材料設計グループ

御手洗 容子， 構造材料研究拠点 耐熱材料設計グループ

＜研究の背景＞

・航空機の低燃費化、発電プラントの発電効率向上のため鍛造材の耐熱性、強度向上の要求。

・日本では５万プレス機が稼働し、海外でも同等のプレス機が設置開始。

・欧米ではより難加工材の鍛造技術（恒温鍛造など）の適用に着手。

＜研究の狙い＞

・実験と予測計算を統合した材料加工設計技術を構築。

・実用化を短縮できる「鍛造方案最適化技術」を確立。

・企業のプレス機に直接利用可能な生産技術・拠点を構築。

・精緻なひずみ、平衡度、温度、広範な冷却速度制御。

・鍛造材が大きく、同じ部位の組織解析と

力学特性評価が可能。 → 正確な組織と特性評価。

・共同研究をベースとした外部利用を予定。 写真．1500 トン鍛造シミュレータ

航空機エンジンに用いる高強度耐熱チタン合金の設計・開発 Design and development of heat-resistant high-strength Ti alloys for jet engines

北嶋 具教，構造材料研究拠点 耐熱材料設計グループ

御手洗 容子，構造材料研究拠点 耐熱材料設計グループ

＜研究の背景＞

航空機エンジン用チタン合金の軽量化や耐熱性向上は CO2 排出量削減に貢献

材料のさらなる特性向上への期待

耐熱チタン合金は 6～7 元素で構成される複雑な多元系

＜研究の狙い＞

組成、プロセス、組織形態、特性の関係性を明確化

複雑な多元系合金に適用可能な合金設計手法の開発

データベース構築、特性予測手法の開発、新合金開発

（参考文献）

北嶋具教、御手洗容子、”航空機用チタン合金の材料特性および開発指針”, まてりあ, 55

(2016) 370-376.

T. Kitashima, T. Kawamura, Scripta Mater., 124 (2016) 56-58.

P2-09

P2-10

—79—

Day 2

高温耐熱材料

連携ポスターセッション

微細組織による疲労耐性評価 -微小き裂解析技術の高度化- Microstructural Fatigue Resistance Evaluation -Improvement of Small Fatigue Crack Analysis Technique-

西川 嗣彬，構造材料研究拠点 疲労特性グループ

古谷 佳之，構造材料研究拠点 疲労特性グループ

＜研究の背景＞

材料開発や機器設計において、疲労特性と微細組織の関係の明確化は重要な課題

そのためには、影響因子の分離が難しい S-N 線図や組織に不敏感な巨視的き裂ではなく、組

織に敏感とされる微小疲労き裂領域の特異性の解明と組織因子の抽出が必要

＜研究の狙い＞

微小き裂の特異性解明において一つのボトルネックとなる、微視的挙動の観察・計測の困難さ

を、顕微鏡による自動その場観察システムの構築と画像相関法の活用により解決

溶接熱影響部の多様な微細組織の疲労耐性評価に適用

Aerogel based materials for Thermal Management Applications

Rudder WU, Thermal Energy Materials G, MANA

R. VIRTUDAZO, Thermal Energy Materials G, MANA

<Background>

Efficient energy use, sometimes simply called energy-saving, involves efforts to reduce the

amount of wasted energy. Increasing interest and attention are now being placed on new thermal-

managing technologies. Our research concerns with the fabrication and characterization of high

performance aerogel materials for thermal insulation applications.

<Aim>

This research is focused on understanding phonon scattering at grain boundaries and interfaces.

Approaches involve the enhancement of phonon scattering by optimizing intrinsic nano porosity of

aerogels and engineering extrinsic hollow particles within the aerogel matrix, resulting in a bottom-

up hybrid thermal insulation materials.

サスペンションプラズマスプレー法による微細組織セラミックコーティング Fine Structured Ceramic Coatings by Suspension Plasma Spraying

黒田 聖治，荒木 弘，渡邊 誠，構造材料研究拠点 積層スマート材料グループ

＜研究の背景＞

産業界のセラミックコーティングに対する要求の高度化、多様化、新機能発現への期待

サスペンション溶射は世界的に注目され応用研究が活発だが基礎現象が未解明

溶射プロセス・コーティングに関する NIMS の長年の研究と高い技術力の蓄積

＜研究の狙い＞

原料粉末をサブミクロンからナノレベルに微細化し液体に混合する効果の解明

プラズマジェット中での液体の分裂現象や皮膜組織の形成機構の解明

溶射による高速大面積成膜のメリットを残しつつ、革新的な皮膜構造・機能を発現

＜応用分野＞

遮熱コーティング、耐環境コーティング

固体燃料電池、超撥水・非粘着、光・電子特性

P2-11

P2-12

—80—

Day 2

構造材料評価技術

連携ポスターセッション

微細組織による疲労耐性評価 -微小き裂解析技術の高度化- Microstructural Fatigue Resistance Evaluation -Improvement of Small Fatigue Crack Analysis Technique-

西川 嗣彬，構造材料研究拠点 疲労特性グループ

古谷 佳之，構造材料研究拠点 疲労特性グループ

＜研究の背景＞

材料開発や機器設計において、疲労特性と微細組織の関係の明確化は重要な課題

そのためには、影響因子の分離が難しい S-N 線図や組織に不敏感な巨視的き裂ではなく、組

織に敏感とされる微小疲労き裂領域の特異性の解明と組織因子の抽出が必要

＜研究の狙い＞

微小き裂の特異性解明において一つのボトルネックとなる、微視的挙動の観察・計測の困難さ

を、顕微鏡による自動その場観察システムの構築と画像相関法の活用により解決

溶接熱影響部の多様な微細組織の疲労耐性評価に適用

超伝導 X 線検出器を応用した超高精度分析電子顕微鏡 Superconducting x-ray detector for precise compositional analysis in STEM

原 徹，構造材料研究拠点 構造材料組織解析技術グループ

＜研究の背景＞

電子顕微鏡は、材料の組織評価の際に必須の手法となっている。電子顕微鏡の分解能は近年飛

躍的に向上している一方、電子顕微鏡での組成分析の精度や感度は十分ではない。特に複雑な

組織中での微量な添加元素の分布などは、従来の電子顕微鏡の分析技術では困難である。

＜研究の狙い＞

本研究では、超伝導検出器を用いて従来より一桁高いエネルギー分解能での分析を可能にする走

査透過型電子顕微鏡(STEM)を開発している。STEM の高

い空間分解能を活かしながら、極微量添加元素の検出感

度や組成分析精度の従来比一桁向上、元素分布の可視

化を目指している。

本開発研究は、JST 先端計測分析技術・機器開発プロジェ

クト【機器開発】(H25-28FY)により実施している。現在

(H28FY)最終年度であり、写真に示すように装置開発をほ

ぼ終了して応用研究を開始している。

図 1. 開発した電子顕微鏡の外観

Aerogel based materials for Thermal Management Applications

Rudder WU, Thermal Energy Materials G, MANA

R. VIRTUDAZO, Thermal Energy Materials G, MANA

<Background>

Efficient energy use, sometimes simply called energy-saving, involves efforts to reduce the

amount of wasted energy. Increasing interest and attention are now being placed on new thermal-

managing technologies. Our research concerns with the fabrication and characterization of high

performance aerogel materials for thermal insulation applications.

<Aim>

This research is focused on understanding phonon scattering at grain boundaries and interfaces.

Approaches involve the enhancement of phonon scattering by optimizing intrinsic nano porosity of

aerogels and engineering extrinsic hollow particles within the aerogel matrix, resulting in a bottom-

up hybrid thermal insulation materials.

サスペンションプラズマスプレー法による微細組織セラミックコーティング Fine Structured Ceramic Coatings by Suspension Plasma Spraying

黒田 聖治，荒木 弘，渡邊 誠，構造材料研究拠点 積層スマート材料グループ

＜研究の背景＞

産業界のセラミックコーティングに対する要求の高度化、多様化、新機能発現への期待

サスペンション溶射は世界的に注目され応用研究が活発だが基礎現象が未解明

溶射プロセス・コーティングに関する NIMS の長年の研究と高い技術力の蓄積

＜研究の狙い＞

原料粉末をサブミクロンからナノレベルに微細化し液体に混合する効果の解明

プラズマジェット中での液体の分裂現象や皮膜組織の形成機構の解明

溶射による高速大面積成膜のメリットを残しつつ、革新的な皮膜構造・機能を発現

＜応用分野＞

遮熱コーティング、耐環境コーティング

固体燃料電池、超撥水・非粘着、光・電子特性

P2-13

P2-14

—81—

Day 2

構造材料評価技術

連携ポスターセッション

材料組織の数値シミュレーションによるバルク特性評価 Evaluation of bulk properties using computaitonal simulations of microstructure

渡邊 育夢，構造材料研究拠点 高強度材料グループ

＜研究の背景＞

材料研究・開発における性能評価のために材料組織とバルク特性を関連付ける技術は不可欠。平

均場理論をはじめ理論・計算アプローチに基づく研究が継続されているが、有限ひずみ非線形材料

挙動を伴う構造材料では現在も課題が多い。

＜研究の狙い＞

数値シミュレーションを活用し、微視スケールの不均質性とその平均特性として発現するバルク特

性を関連付け、材料研究・開発を支援するための枠組みを構築。そのために必要となる数値モデリ

ング技術を開発。

実験・理論・原子シミュレーション・熱力学データベースなどの様々な知見・材料データを連続体数

値モデルへ統合するための枠組み開発に取り組み中。

Steel Rebar Evaluation Using Electromagnetic Method

Dongfeng He, Integrated Smart Material Group, Structural Materials Research Center

Mitsuharu Shiwa, Integrated Smart Material Group, Structural Materials Research Center

Makoto Watanabe, Integrated Smart Material Group, Structural Materials Research Center

<Background>

Corrosion of steel rebar in concrete reduces the strength capacity of concrete, and also causes the

crack of concrete. Detection of corrosion at the early stage is important for the safety evaluation

and repairing of the concrete structures.

<Aim>

Using electromagnetic method, we will develop the system to detect the position, the depth, the

diameter and the corrosion of steel rebar, which will have better resolution and accuracy than

commercial available systems.

We developed electromagnetic systems with lower frequency

(about 4KHz) and higher frequency (about 80kHz). For the

system with lower frequency, we use it to detect the position,

depth and diameter of steel rebar; for the system with higher

frequency, we use it to evaluate the corrosion of steel rebar.

中赤外レーザ光源開発と FRP 非破壊評価技術への応用 Non-Destructive Techniques for FRP with Newly Developed Mid-IR laser

草野 正大，構造材料研究拠点 積層スマート材料グループ

畑野 秀樹，機能性材料研究拠点 電子セラミックスグループ

＜研究の背景＞

• 繊維強化プラスチック（Fiber Reinforced Plastic, FRP）における信頼性向上の必要性

• レーザ超音波は非接触・非破壊の探傷測定技術で，検査の効率化が期待できる

• FRP の超音波発生には，3.2 μm（中赤外）のレーザ光源が最適である

＜研究の狙い＞

• NIMS オリジナル結晶（周期分極反転 SLT）を用いた OPO 波長変換により，小型，堅牢，可

搬性を有する中赤外パルスレーザを開発．

• FRP（ファイバ複合素材）の LUT における超音波生成に最適な，波長 3.2μm帯を高効率で

発振．世界初の実用的な LUT 励起光源への第一歩．

レーザ超音波装置による CFRP

サンプルの測定事例．透過法・反

射法ともに，内部の模擬欠陥（ド

リル穴）を検知可能．

P2-15

P2-16

—82—

Day 2

構造材料評価技術

連携ポスターセッション

材料組織の数値シミュレーションによるバルク特性評価 Evaluation of bulk properties using computaitonal simulations of microstructure

渡邊 育夢，構造材料研究拠点 高強度材料グループ

＜研究の背景＞

材料研究・開発における性能評価のために材料組織とバルク特性を関連付ける技術は不可欠。平

均場理論をはじめ理論・計算アプローチに基づく研究が継続されているが、有限ひずみ非線形材料

挙動を伴う構造材料では現在も課題が多い。

＜研究の狙い＞

数値シミュレーションを活用し、微視スケールの不均質性とその平均特性として発現するバルク特

性を関連付け、材料研究・開発を支援するための枠組みを構築。そのために必要となる数値モデリ

ング技術を開発。

実験・理論・原子シミュレーション・熱力学データベースなどの様々な知見・材料データを連続体数

値モデルへ統合するための枠組み開発に取り組み中。

Gigahertz time-domain spectroscopy and imaging for non-destructive materials testing

Dmitry S. Bulgarevich，志波 光晴，積層スマート材料 G, 構造材料 RC

<Background>

Needs for NDT of Social Infrastructure Materials led us to realize the novel optical scheme with

high-speed GHz-TDS imaging, where each data pixel contained the time, amplitude, phase, and

spectral information on transmitted/reflected GHz waves.

<Aim>

Compared to other NDT methods in GHz range, our technique has the full-vectorial spectral

nature, i.e. it can be used to estimate the complex dielectric properties of materials as well as

their thickness and sliced contrast in time/frequency domains.

By using optical sampling with repetition frequency modulation of pump/probe laser pulses on

photoconductive emitter/detector antennas, the high-speed time/frequency domain gigahertz

(GHz) imaging is reported due to the absence of opto-mechanical delay line in this optical scheme. It works at ambient conditions without special sample preparations and with harmless GHz pulses.

This could become a valuable non-destructive testing (NDT) technique in GHz spectral range with

all benefits of time-domain spectroscopy (TDS).

Steel Rebar Evaluation Using Electromagnetic Method

Dongfeng He, Integrated Smart Material Group, Structural Materials Research Center

Mitsuharu Shiwa, Integrated Smart Material Group, Structural Materials Research Center

Makoto Watanabe, Integrated Smart Material Group, Structural Materials Research Center

<Background>

Corrosion of steel rebar in concrete reduces the strength capacity of concrete, and also causes the

crack of concrete. Detection of corrosion at the early stage is important for the safety evaluation

and repairing of the concrete structures.

<Aim>

Using electromagnetic method, we will develop the system to detect the position, the depth, the

diameter and the corrosion of steel rebar, which will have better resolution and accuracy than

commercial available systems.

We developed electromagnetic systems with lower frequency

(about 4KHz) and higher frequency (about 80kHz). For the

system with lower frequency, we use it to detect the position,

depth and diameter of steel rebar; for the system with higher

frequency, we use it to evaluate the corrosion of steel rebar.

中赤外レーザ光源開発と FRP 非破壊評価技術への応用 Non-Destructive Techniques for FRP with Newly Developed Mid-IR laser

草野 正大，構造材料研究拠点 積層スマート材料グループ

畑野 秀樹，機能性材料研究拠点 電子セラミックスグループ

＜研究の背景＞

• 繊維強化プラスチック（Fiber Reinforced Plastic, FRP）における信頼性向上の必要性

• レーザ超音波は非接触・非破壊の探傷測定技術で，検査の効率化が期待できる

• FRP の超音波発生には，3.2 μm（中赤外）のレーザ光源が最適である

＜研究の狙い＞

• NIMS オリジナル結晶（周期分極反転 SLT）を用いた OPO 波長変換により，小型，堅牢，可

搬性を有する中赤外パルスレーザを開発．

• FRP（ファイバ複合素材）の LUT における超音波生成に最適な，波長 3.2μm帯を高効率で

発振．世界初の実用的な LUT 励起光源への第一歩．

レーザ超音波装置による CFRP

サンプルの測定事例．透過法・反

射法ともに，内部の模擬欠陥（ド

リル穴）を検知可能．

P2-17

P2-18

—83—

Day 2

計測技術

連携ポスターセッション

燃料電池における固液界面現象のその場観察 In-situ observation of electrochemical processes at solid/liquid interfaces in PEMFCs

増田 卓也，先端材料解析研究拠点 表面物性計測グループ

＜研究の背景＞

燃料電池や二次電池などのエネルギー変換デバイスにおいてエネルギー/物質変換を司る多電子

移動反応は、複数の電子、プロトンが関与する複雑な過程。高効率材料創製には、反応場への物

質供給、吸着/脱離、中間体生成およびそれらの構造変化といった反応機構の全貌解明が重要。

＜研究の狙い＞

X 線/電子をプローブとした計測法を駆使して、固液界面における分子/幾何/電子構造の動的挙動

を反応が起こっているその場で直接計測・解析するための基盤技術の開発ならびにそれらの燃料

電池/二次電池材料群への応用。

化学状態分析用高分解能Ｘ線分光器の小型・低コスト化 The concept of the downsized high-resolution X-ray spectrometer for chemical state analysis 福島 整， 先端材料解析研究拠点 表面化学分析グループ

奥井 眞人， 神津精機株式会社

森山 倫宏， 神津精機株式会社

＜研究の背景＞

・高度先端物質材料の機能発現解明のための非破壊化学状態分析法の強いニーズ

・迅速簡便で、放射光等の高度な設備を要求しない化学状態分析法の確立

・Ｘ線光電子分光法等で利用される内殻準位変化の原理に対する、統一的解釈の確立

＜研究の狙い＞

・例えば６価クロムが他の状態のクロムと簡単に分離識別できるような、即戦力技術の提供

・従来の高分解能Ｘ線分光器に匹敵する分解能を有する、低コストな特性Ｘ線計測系の実現

・機構が単純で掃引動作が無く、生産ライン等にオンラインで組み込めるコンパクトな設計

従来の高価な二結晶型分光器に対して、高角度 Bragg 反射を用いた一結晶型分光系に独自の逆

ベンド分光結晶とデータ処理系を組み合わせることで、迅速、小型でかつ安価な特性Ｘ線を用いた

化学状態分析装置を提供できることを示す。

金属ダイヤモンドを用いた新しい高圧発生装置 New High Pressure Cell using Metallic Diamond Electrode

高野 義彦，MANA ナノフロンティア超伝導材料グループ

松本 凌 ， MANA ナノフロンティア超伝導材料グループ

＜研究の背景＞

ダイヤモンドは最も硬い物質であり、大きなバンドギャップを持つ絶縁体として知られている。

ホウ素ドープするとダイヤモンドは半導体になり、さらに金属になり、低温では超伝導を示す。

ナノテクを使って金属ダイヤモンドをパターニングして回路を形成することができる。

＜研究の狙い＞

高圧力下の材料特性の研究が盛んに行われているが、電気伝導特性を圧力下で評価することは

大変難しい。従来は金属の電極を挿入していたが、圧力による変形や断線により困難を極めた。本

開発の圧力装置は、世界で最も硬い金属ダイヤモンド電極を使っているため繰り返し測定しても劣

化することなく、容易に圧力下抵抗測定が可能である。

P2-19

P2-20

—84—

Day 2

計測技術

連携ポスターセッション

燃料電池における固液界面現象のその場観察 In-situ observation of electrochemical processes at solid/liquid interfaces in PEMFCs

増田 卓也，先端材料解析研究拠点 表面物性計測グループ

＜研究の背景＞

燃料電池や二次電池などのエネルギー変換デバイスにおいてエネルギー/物質変換を司る多電子

移動反応は、複数の電子、プロトンが関与する複雑な過程。高効率材料創製には、反応場への物

質供給、吸着/脱離、中間体生成およびそれらの構造変化といった反応機構の全貌解明が重要。

＜研究の狙い＞

X 線/電子をプローブとした計測法を駆使して、固液界面における分子/幾何/電子構造の動的挙動

を反応が起こっているその場で直接計測・解析するための基盤技術の開発ならびにそれらの燃料

電池/二次電池材料群への応用。

断面 SPM による実デバイス評価技術 Characterization of Actual Devices using Cross-sectional Scanning Probe Microscopy

石田 暢之，先端材料解析研究拠点 表面物性計測グループ

増田 秀樹，先端材料解析研究拠点 表面物性計測グループ

＜研究の背景＞

近年、デバイス動作下において直接物性を評価する手法は“オペランド計測”と呼ばれ注目を集め

ている。我々は高空間分解能（ナノスケール）オペランド計測技術を開発するために、様々な環境下

で動作する走査型プローブ顕微鏡（SPM）の基盤技術開発を行っている。

＜研究の狙い＞

デバイス動作下で種々の物性を評価することで、デバイス性能向上に資する情報を得ることを目的

として研究を進めている。手法は、断面 SPM 技術を用い、様々な環境下での物性計測のみなら

ず、良好な断面を作製するための試料作製技術の開発にも力を入れている。

化学状態分析用高分解能Ｘ線分光器の小型・低コスト化 The concept of the downsized high-resolution X-ray spectrometer for chemical state analysis 福島 整， 先端材料解析研究拠点 表面化学分析グループ

奥井 眞人， 神津精機株式会社

森山 倫宏， 神津精機株式会社

＜研究の背景＞

・高度先端物質材料の機能発現解明のための非破壊化学状態分析法の強いニーズ

・迅速簡便で、放射光等の高度な設備を要求しない化学状態分析法の確立

・Ｘ線光電子分光法等で利用される内殻準位変化の原理に対する、統一的解釈の確立

＜研究の狙い＞

・例えば６価クロムが他の状態のクロムと簡単に分離識別できるような、即戦力技術の提供

・従来の高分解能Ｘ線分光器に匹敵する分解能を有する、低コストな特性Ｘ線計測系の実現

・機構が単純で掃引動作が無く、生産ライン等にオンラインで組み込めるコンパクトな設計

従来の高価な二結晶型分光器に対して、高角度 Bragg 反射を用いた一結晶型分光系に独自の逆

ベンド分光結晶とデータ処理系を組み合わせることで、迅速、小型でかつ安価な特性Ｘ線を用いた

化学状態分析装置を提供できることを示す。

金属ダイヤモンドを用いた新しい高圧発生装置 New High Pressure Cell using Metallic Diamond Electrode

高野 義彦，MANA ナノフロンティア超伝導材料グループ

松本 凌 ， MANA ナノフロンティア超伝導材料グループ

＜研究の背景＞

ダイヤモンドは最も硬い物質であり、大きなバンドギャップを持つ絶縁体として知られている。

ホウ素ドープするとダイヤモンドは半導体になり、さらに金属になり、低温では超伝導を示す。

ナノテクを使って金属ダイヤモンドをパターニングして回路を形成することができる。

＜研究の狙い＞

高圧力下の材料特性の研究が盛んに行われているが、電気伝導特性を圧力下で評価することは

大変難しい。従来は金属の電極を挿入していたが、圧力による変形や断線により困難を極めた。本

開発の圧力装置は、世界で最も硬い金属ダイヤモンド電極を使っているため繰り返し測定しても劣

化することなく、容易に圧力下抵抗測定が可能である。

P2-21

P2-22

—85—

Day 2

計測技術

連携ポスターセッション

固体ＮＭＲの技術開発と材料分析への応用 Solid-state NMR instrumental development and application for materials research

端 健二郎，技術開発・共用部門 強磁場ステーション

＜研究の背景＞

・NMR（核磁気共鳴）装置は生化学、有機化学など幅広い分野で使用されている分析機器

・NMR 装置の感度と分解能は磁場が高くなればなるほど、向上

・世界最高磁場の NMR 装置を開発し、無機材料分析へ応用

＜研究の狙い＞

・世界最高磁場１０２０MHz の NMR 装置を開発

・NMR 装置としての基本的性能が仕様を満たしていることを確認

・生体材料、無機材料の NMR 測定を行い、感度・分解能が向上していることを実証

その場TEM観察のための試料ホルダー TEM specimen holders for in-situ observation

橋本 綾子，先端材料解析研究拠点 実働環境計測技術開発グループ

＜研究の背景＞

透過型電子顕微鏡(TEM)は、材料の構造や挙動をナノメータースケールで観察・分析できる計測

手法。しかし、TEM内を真空に保ったままで観察を行わなければならない。一方、実材料は様々な

環境下で使用されており、「その場TEM観察」のニーズが非常に高まっている。

＜研究の狙い＞

本研究の目的は、TEM試料ホルダーを用いた観察環境制御システムを開発し、その場観察を行

うこと。対象とする材料は、太陽電池や燃料電池などの環境・エネルギー材料。観察環境の制御方

法には、いくつかあるが、試料ホルダータイプは、改造がしやすく、コスト面で有利。

＜最先端研究トピックス＞

・光照射TEM試料ホルダーを利用した、光照射下での太陽光利用材料のポテンシャル変化の電子

線ホログラフィーによる測定・解析

・ガス雰囲気下加熱TEM試料ホルダーを利用した、ガス雰囲気、高温下での触媒材料の構造や挙

動の観察

リチウム分布の定量的な可視化 Quantitative visualization of lithium distribution

吉川 純，先端材料解析研究拠点 電子顕微鏡グループ

木本 浩司，先端材料解析研究拠点 電子顕微鏡グループ

＜研究の背景＞

リチウムイオン二次電池材料の開発において、ナノメートル（100 万分の 1 ミリ）単位での解析技術

が必要とされている。特に、二次電池を構成する電極活物質中のリチウムイオンの量と分布を高精

度に評価する技術が必要とされている。本研究では、透過電子顕微鏡内で行う先端的電子分光を

駆使して、リチウム定量マッピング手法を確立し、実際に応用することを試みた。

＜研究の狙い＞

先端的電子分光法により、リチウムスペクトル構造を精密に計測する。代表的な正極活物質である

コバルト酸リチウム（LiCoO2）を例に、LixCoO2 中のリチウム量（x）の定量評価方法を確立する。さら

に、充電後の正極活物質（LixCoO2粒子）中のリチウム量（x）の分布を可視化する。

P2-23

P2-24

—86—

Day 2

計測技術

連携ポスターセッション

固体ＮＭＲの技術開発と材料分析への応用 Solid-state NMR instrumental development and application for materials research

端 健二郎，技術開発・共用部門 強磁場ステーション

＜研究の背景＞

・NMR（核磁気共鳴）装置は生化学、有機化学など幅広い分野で使用されている分析機器

・NMR 装置の感度と分解能は磁場が高くなればなるほど、向上

・世界最高磁場の NMR 装置を開発し、無機材料分析へ応用

＜研究の狙い＞

・世界最高磁場１０２０MHz の NMR 装置を開発

・NMR 装置としての基本的性能が仕様を満たしていることを確認

・生体材料、無機材料の NMR 測定を行い、感度・分解能が向上していることを実証

Dual EDS検出器を搭載したTEMによる原子分解能EDS測定 Atomic resolution EDS map using Cs­corrected STEM with dual EDS

上杉 文彦 技術開発・共用部門 電子顕微鏡ステーション

＜研究の背景＞

近年EDSの検出器としてSi drift detectorが用いられるようになってきた．

従来のSiLi検出器と比べて，同じ時間で大量の信号を取得できるので統計的に質の高いデータを

取得することができるようになってきている．

＜研究の狙い＞

統計的に質の高いデータを取得することで軽元素の検出を試みる．

原子分解能で元素情報を取得できるという本装置の能力をユーザーに知っていただき，新規材料

開発・研究に役立てていただきたい．

AlNにHfとMgをドープしたサンプルから

のADF­STEM像（一番左）とEDS結果．

その場TEM観察のための試料ホルダー TEM specimen holders for in-situ observation

橋本 綾子，先端材料解析研究拠点 実働環境計測技術開発グループ

＜研究の背景＞

透過型電子顕微鏡(TEM)は、材料の構造や挙動をナノメータースケールで観察・分析できる計測

手法。しかし、TEM内を真空に保ったままで観察を行わなければならない。一方、実材料は様々な

環境下で使用されており、「その場TEM観察」のニーズが非常に高まっている。

＜研究の狙い＞

本研究の目的は、TEM試料ホルダーを用いた観察環境制御システムを開発し、その場観察を行

うこと。対象とする材料は、太陽電池や燃料電池などの環境・エネルギー材料。観察環境の制御方

法には、いくつかあるが、試料ホルダータイプは、改造がしやすく、コスト面で有利。

＜最先端研究トピックス＞

・光照射TEM試料ホルダーを利用した、光照射下での太陽光利用材料のポテンシャル変化の電子

線ホログラフィーによる測定・解析

・ガス雰囲気下加熱TEM試料ホルダーを利用した、ガス雰囲気、高温下での触媒材料の構造や挙

動の観察

リチウム分布の定量的な可視化 Quantitative visualization of lithium distribution

吉川 純，先端材料解析研究拠点 電子顕微鏡グループ

木本 浩司，先端材料解析研究拠点 電子顕微鏡グループ

＜研究の背景＞

リチウムイオン二次電池材料の開発において、ナノメートル（100 万分の 1 ミリ）単位での解析技術

が必要とされている。特に、二次電池を構成する電極活物質中のリチウムイオンの量と分布を高精

度に評価する技術が必要とされている。本研究では、透過電子顕微鏡内で行う先端的電子分光を

駆使して、リチウム定量マッピング手法を確立し、実際に応用することを試みた。

＜研究の狙い＞

先端的電子分光法により、リチウムスペクトル構造を精密に計測する。代表的な正極活物質である

コバルト酸リチウム（LiCoO2）を例に、LixCoO2 中のリチウム量（x）の定量評価方法を確立する。さら

に、充電後の正極活物質（LixCoO2粒子）中のリチウム量（x）の分布を可視化する。

P2-25

P2-26

—87—

Day 2

光学材料

連携ポスターセッション

遷移金属ダイカルコゲナイド単層膜のスケーラブルな CVD 成長技術 Scalable CVD Technique for Growing Transition Metal Dichalcogenide Monolayers

佐久間 芳樹，機能性材料研究拠点 エピタキシャルナノ構造グループ

＜研究の背景＞

MoS2 や WS2 などの遷移金属ダイカルコゲナイド（TMDC）の研究が活発化。TMDC 単層膜は厚さが

原子 3 個分の 2 次元層状半導体であり、超低消費電力トランジスタをはじめ、柔軟性や透明性を生

かした太陽電池やディスプレイなど、将来のナノエレクトロニクスやフォトニクス材料として有望。

＜研究の狙い＞

TMDC の物性は van der Waals 結合で積層された結晶の層数に敏感。単層化によってバンド構造は

直接遷移型となり、斬新で優れた光学特性が出現。しかし、TMDC の実用化には原子レベルの精

度で膜厚制御が可能で、ウエハの大面積化に対応できるスケーラブルな薄膜形成技術の開発が

必須。

TMDC のスケーラブルな CVD 技術を開発。出発原料にガス状プリカーサーを利用しているため、ガ

ス切り替えバルブでチャンバー内の反応領域に任意のタイミングで原料供給が可能。また、成膜温

度や圧力、キャリアガス種など、広範囲の成膜条件を選択可能。開発した CVD 技術により、SiO2基

板上のMoS2の核形成の制御、および 2インチウエハ全面への高品質MoS2連続膜の形成を実現。

Compact solid state THz sources made of high temperature superconductors

Huabing Wang （王 華兵）, Superconductor Quantum Phase Engineering Group, RC for Functional

Materials

<Background>

Solid state THz sources of high temperature superconductors are competitive against many of the

present semiconducting THz sources due to their broad tunable frequency range and ease of

operation, and can be employed in many applications like radio astronomy, gas spectroscopy, etc.

<Aim>

One of the tasks is to develop compact and economical THz sources operated in a continuous

wave (cw) mode. The frequency should be tunable in the range of 0.3∼3 THz, so that one can

bridge the THz gap with one single source.

The source operating in liquid nitrogen.

ナノインプリントリソグラフィによる光メタマテリアル Visible frequency metamaterial by nanoimprint lithography ~ towards novel optical devices ~

久保 祥一，機能性材料研究拠点 コロイド結晶材料グループ

＜研究の背景＞

・負の屈折率に代表される特異な光学特性を有すメタマテリアルへの期待

・可視光領域で機能する完全レンズ・透明マントなど新奇光学素子への応用可能性

・光メタマテリアルとして機能する極微細構造の大面積化技術の開発

＜研究の狙い＞

・次世代技術であるナノインプリントリソグラフィによる光メタマテリアル構造作製

・異種材料界面の制御による 100nm 以下微細パターンの精密な造形

・電子線リソグラフィ等の従来技術では困難であった大面積化への道筋

異種界面制御によりレジスト薄膜の基板への密着性を向上させたナノインプ

リントリソグラフィにより、100nm 以下サイズの微細構造体を光学応用に資す

る 5mm 角全面に作製することに成功。

P2-27

P2-28

—88—

Day 2

光学材料／電子磁気材料・デバイス材料

連携ポスターセッション

遷移金属ダイカルコゲナイド単層膜のスケーラブルな CVD 成長技術 Scalable CVD Technique for Growing Transition Metal Dichalcogenide Monolayers

佐久間 芳樹，機能性材料研究拠点 エピタキシャルナノ構造グループ

＜研究の背景＞

MoS2 や WS2 などの遷移金属ダイカルコゲナイド（TMDC）の研究が活発化。TMDC 単層膜は厚さが

原子 3 個分の 2 次元層状半導体であり、超低消費電力トランジスタをはじめ、柔軟性や透明性を生

かした太陽電池やディスプレイなど、将来のナノエレクトロニクスやフォトニクス材料として有望。

＜研究の狙い＞

TMDC の物性は van der Waals 結合で積層された結晶の層数に敏感。単層化によってバンド構造は

直接遷移型となり、斬新で優れた光学特性が出現。しかし、TMDC の実用化には原子レベルの精

度で膜厚制御が可能で、ウエハの大面積化に対応できるスケーラブルな薄膜形成技術の開発が

必須。

TMDC のスケーラブルな CVD 技術を開発。出発原料にガス状プリカーサーを利用しているため、ガ

ス切り替えバルブでチャンバー内の反応領域に任意のタイミングで原料供給が可能。また、成膜温

度や圧力、キャリアガス種など、広範囲の成膜条件を選択可能。開発した CVD 技術により、SiO2基

板上のMoS2の核形成の制御、および 2インチウエハ全面への高品質MoS2連続膜の形成を実現。

SiAlON 蛍光体分散ガラス SiAlON-glass composites

瀬川 浩代，機能性材料研究拠点 電子セラミックスグループ

＜研究の背景＞

LED の普及に伴い、光源に用いられる LED からの熱により、ポリマーへの蛍光体封止の応用範囲

が限定されるようになってきた。ガラスと蛍光体を複合化することで高い耐熱性の材料の提案が可

能。

＜研究の狙い＞

耐熱性の高いことで知られる SiAlON 蛍光体をガラス中に分散することで高い耐熱性を有する

SiAlON 分散ガラスを作製。1,溶融法、2.焼結法、3. ゾル-ゲル法の 3 種類の手法を用いて作製。

Compact solid state THz sources made of high temperature superconductors

Huabing Wang （王 華兵）, Superconductor Quantum Phase Engineering Group, RC for Functional

Materials

<Background>

Solid state THz sources of high temperature superconductors are competitive against many of the

present semiconducting THz sources due to their broad tunable frequency range and ease of

operation, and can be employed in many applications like radio astronomy, gas spectroscopy, etc.

<Aim>

One of the tasks is to develop compact and economical THz sources operated in a continuous

wave (cw) mode. The frequency should be tunable in the range of 0.3∼3 THz, so that one can

bridge the THz gap with one single source.

The source operating in liquid nitrogen.

ナノインプリントリソグラフィによる光メタマテリアル Visible frequency metamaterial by nanoimprint lithography ~ towards novel optical devices ~

久保 祥一，機能性材料研究拠点 コロイド結晶材料グループ

＜研究の背景＞

・負の屈折率に代表される特異な光学特性を有すメタマテリアルへの期待

・可視光領域で機能する完全レンズ・透明マントなど新奇光学素子への応用可能性

・光メタマテリアルとして機能する極微細構造の大面積化技術の開発

＜研究の狙い＞

・次世代技術であるナノインプリントリソグラフィによる光メタマテリアル構造作製

・異種材料界面の制御による 100nm 以下微細パターンの精密な造形

・電子線リソグラフィ等の従来技術では困難であった大面積化への道筋

異種界面制御によりレジスト薄膜の基板への密着性を向上させたナノインプ

リントリソグラフィにより、100nm 以下サイズの微細構造体を光学応用に資す

る 5mm 角全面に作製することに成功。

P2-29

P2-30

—89—

Day 2

電子磁気材料・デバイス材料

連携ポスターセッション

1 ミクロンの解像度で電子回路を印刷 Printing of electronic circuits with 1-micron resolution

三成 剛生，国際ナノアーキテクトニクス研究拠点

Xuying Liu，国際ナノアーキテクトニクス研究拠点

＜研究の背景＞

金属ナノ粒子や有機半導体をインクに溶解し、「印刷」プロセスによって配線や回路を作製すること

で、低コスト・大面積の新しい半導体製造工程が実現できる。しかし、現状のプリンテッドエレクトロ

ニクスは、精細度や素子の性能に依然として課題あり。

＜研究の狙い＞

大気下の完全印刷プロセスによって電子回路を製造する技術を確立。すべての工程を室温で行い、

様々なフレキシブル基板の使用が可能な室温印刷技術を実現。独自の微細印刷技術で、線幅 1 ミ

クロンの配線や短チャネル有機トランジスタが形成可能に。

＜応用の可能性＞

室温で配線を形成するので、フレキシブルなウェアラブルデバイス、IoT デバイスが作成できる。

新バッファー層を使った Si 基板上の単結晶 GaN テンプレートの作製 Epitaxial GaN Template film on Si substrate with new buffer layer

知京 豊裕，国際ナノアーキテクトニクス研究拠点 半導体デバイス材料グループ

＜研究の背景＞

GaN を使った汎用性パワーデバイスの必要性の増大

大口径化が可能な高品位の GaN on Si が必要

高品位単結晶 GaN を Si 上に成長させるための新しい緩衝層の導入が必要

＜研究の狙い＞

新緩衝層として硫化物に注目。

硫化物緩衝層 MnS を使い Si(100)基板上単結晶 GaN テンプレートの作製に成功

このテンプレート上に ZnO/GaN LED を作製しその有効性を実証

GaN on Si よる LED やパワーデバイスは基板の大型化が可能なうえ、他の Si デバイスとの融合も

可能など、今後の可能性を秘めています。また NIMS では、Si(111)面上だけでなく、Si(100)面上の

無極性 GaN(11-20)の単結晶成長にも成功しています。

ジスプロシウムを利用しない永久磁石 Dy­free Permanent magnets

広沢 哲，磁性・スピントロニクス材料研究拠点 元素戦略磁性材料研究拠点

三俣 千春，磁性・スピントロニクス材料研究拠点 元素戦略磁性材料研究拠点

＜研究の背景＞

電気自動車などに大量に必要とされる高性能磁石材料を、希少元素を使わずに実現。これに必要

な理論、結晶組織および磁性のナノからマクロまでの先端解析技術、材料組織形成過程の解明な

どを推進し、磁石材料分野における基礎研究の成果を磁石関連産業界に還元。

＜最先端研究トピックス＞

・分析・解析技術の深耕と既存ネオジム磁石における保磁力発生メカニズム徹底研究によるDy削

減およびDyフリー磁石の開発

・電子論・スピン動力学を用いた磁石材料研究の学理構築と新奇磁石化合物の理論予測に基づく

次世代型永久磁石の開発

・粒界破断面における焼結磁石磁区構造の直接観察（世界初）

・走査軟X線MCD顕微鏡装置に８T超伝導磁石を整備(SPring-8 BL25SU)

・マテリアルズインフォマティクス手法を利用した磁石材料の探索を開始

P2-31

P2-32

—90—

Day 2

電子磁気材料・デバイス材料

連携ポスターセッション

1 ミクロンの解像度で電子回路を印刷 Printing of electronic circuits with 1-micron resolution

三成 剛生，国際ナノアーキテクトニクス研究拠点

Xuying Liu，国際ナノアーキテクトニクス研究拠点

＜研究の背景＞

金属ナノ粒子や有機半導体をインクに溶解し、「印刷」プロセスによって配線や回路を作製すること

で、低コスト・大面積の新しい半導体製造工程が実現できる。しかし、現状のプリンテッドエレクトロ

ニクスは、精細度や素子の性能に依然として課題あり。

＜研究の狙い＞

大気下の完全印刷プロセスによって電子回路を製造する技術を確立。すべての工程を室温で行い、

様々なフレキシブル基板の使用が可能な室温印刷技術を実現。独自の微細印刷技術で、線幅 1 ミ

クロンの配線や短チャネル有機トランジスタが形成可能に。

＜応用の可能性＞

室温で配線を形成するので、フレキシブルなウェアラブルデバイス、IoT デバイスが作成できる。

架橋カーボンナノチューブをテンプレートとした超極細超伝導ナノワイヤー Ultra-thin superconducting nanowires based on suspended carbon nanotubes

森山 悟士，国際ナノアーキテクトニクス拠点 量子デバイス工学グループ

＜研究の背景＞

・半導体材料と比べて微細加工が難しい、超伝導材料の微細加工プロセスの開発

・ナノ超伝導体の新奇量子物性の研究

・量子ビットや高感度光検出器の開発に向けた基礎基盤技術の拡充

＜研究の狙い＞

・10 nm スケールの超伝導ナノワイヤーをシリコンチップ上に作製する技術の開発

・1 次元系特有の超伝導輸送現象の観測と量子状態制御

新バッファー層を使った Si 基板上の単結晶 GaN テンプレートの作製 Epitaxial GaN Template film on Si substrate with new buffer layer

知京 豊裕，国際ナノアーキテクトニクス研究拠点 半導体デバイス材料グループ

＜研究の背景＞

GaN を使った汎用性パワーデバイスの必要性の増大

大口径化が可能な高品位の GaN on Si が必要

高品位単結晶 GaN を Si 上に成長させるための新しい緩衝層の導入が必要

＜研究の狙い＞

新緩衝層として硫化物に注目。

硫化物緩衝層 MnS を使い Si(100)基板上単結晶 GaN テンプレートの作製に成功

このテンプレート上に ZnO/GaN LED を作製しその有効性を実証

GaN on Si よる LED やパワーデバイスは基板の大型化が可能なうえ、他の Si デバイスとの融合も

可能など、今後の可能性を秘めています。また NIMS では、Si(111)面上だけでなく、Si(100)面上の

無極性 GaN(11-20)の単結晶成長にも成功しています。

ジスプロシウムを利用しない永久磁石 Dy­free Permanent magnets

広沢 哲，磁性・スピントロニクス材料研究拠点 元素戦略磁性材料研究拠点

三俣 千春，磁性・スピントロニクス材料研究拠点 元素戦略磁性材料研究拠点

＜研究の背景＞

電気自動車などに大量に必要とされる高性能磁石材料を、希少元素を使わずに実現。これに必要

な理論、結晶組織および磁性のナノからマクロまでの先端解析技術、材料組織形成過程の解明な

どを推進し、磁石材料分野における基礎研究の成果を磁石関連産業界に還元。

＜最先端研究トピックス＞

・分析・解析技術の深耕と既存ネオジム磁石における保磁力発生メカニズム徹底研究によるDy削

減およびDyフリー磁石の開発

・電子論・スピン動力学を用いた磁石材料研究の学理構築と新奇磁石化合物の理論予測に基づく

次世代型永久磁石の開発

・粒界破断面における焼結磁石磁区構造の直接観察（世界初）

・走査軟X線MCD顕微鏡装置に８T超伝導磁石を整備(SPring-8 BL25SU)

・マテリアルズインフォマティクス手法を利用した磁石材料の探索を開始

P2-33

P2-34

—91—

Day 2

太陽電池材料

連携ポスターセッション

新規な高性能 ｐ、ｎ対熱電材料の創製と熱電変換素子 Fabrication of novel high efficiency p, n pair thermoelectric material and module evaluation 森 孝雄，国際アーキテクトニクス研究拠点 熱エネルギー変換材料グループ

＜研究の背景＞

・人類が使用する1次エネルギーの約6割が廃熱

・大小の未利用熱を高寿命、高信頼性、メンテナンスフリーで固体素子により電気に変換

・熱電発電の広範囲実用化への接近

＜研究の狙い＞

・軽元素、低毒性、資源豊富な材料の高性能化

・ｐ、ｎ制御により熱電素子に適した対材料の開発

・広範囲実用化に適した高性能熱電材料と素子評価

熱電材料は広範囲実用化フェーズが近いと期待され、世界中で熱電研究開発の競争が激化してき

ている。我々は、従来とは異なる切り口で、新規材料を含めて熱電材料の原子構造レベル、ナノ構

造レベルの制御方法を発見して、新規な高性能熱電材料を開発して先取りしようとしている。

半導体ナノ構造太陽電池 Semiconductor Nanostructured Solar cells

Thiyagu Subramani， 国際ナノアーキテクトニクス研究拠点 半導体ナノ構造物質グループ

Wipakorn Jevasuwan， 国際ナノアーキテクトニクス研究拠点 半導体ナノ構造物質グループ

深田直樹， 国際ナノアーキテクトニクス研究拠点 半導体ナノ構造物質グループ

＜研究の背景＞

Si ナノ構造体を利用した太陽電池材料の開発： 高変換効率、低コスト、新機能

一般的なバルク Si 太陽電池の厚み： 180-200μm

一般的なバルク Si 太陽電池のコスト： 50-70 %が材料費

＜研究の狙い＞

Si ナノ構造体を複合機能化した次世代太陽電池材料の

開発：

1 次元、0 次元ナノ構造の利用

Si ナノ構造体の特徴を利用した変換効率の向上：

pn 接合面積の増大、低反射、高光吸収

Si 材料の削減による低コスト化：

Si 材料の使用量従来比 1/100

高性能ペロブスカイト太陽電池(PSC) High-efficiency perovskite solar cells

Liyuan Han， エネルギー・環境材料研究拠点 太陽光発電材料グループ

Ashraful Islam， エネルギー・環境材料研究拠点 太陽光発電材料グループ

＜研究の背景＞

太陽電池の普及は環境・エネルギー問題の課題解決に不可欠だ。ペロブスカイト太陽電池はペロ

ブスカイト層が光を吸収することを特徴とし、エネルギー変換効率が高く、しかも簡便な塗布法で作

製できるため、熾烈な研究開発競争が続いている。

＜研究の狙い＞

①吸収波長域が広いホルムアミジニウム(FA)系ペロブスカイトは、電子拡散長が短く、短絡電流の

増大に有利だが、電子収集効率（逆型ペロブスカイト太陽電池）が低い。FA 系に適したセル構造

の開発が課題だ。

② 製造コストを詳細に試算し、ペロブスカイト太陽電池のコストパフォーマンスを検討する。

P2-35

P2-36

—92—

Day 2

熱電材料

連携ポスターセッション

新規な高性能 ｐ、ｎ対熱電材料の創製と熱電変換素子 Fabrication of novel high efficiency p, n pair thermoelectric material and module evaluation 森 孝雄，国際アーキテクトニクス研究拠点 熱エネルギー変換材料グループ

＜研究の背景＞

・人類が使用する1次エネルギーの約6割が廃熱

・大小の未利用熱を高寿命、高信頼性、メンテナンスフリーで固体素子により電気に変換

・熱電発電の広範囲実用化への接近

＜研究の狙い＞

・軽元素、低毒性、資源豊富な材料の高性能化

・ｐ、ｎ制御により熱電素子に適した対材料の開発

・広範囲実用化に適した高性能熱電材料と素子評価

熱電材料は広範囲実用化フェーズが近いと期待され、世界中で熱電研究開発の競争が激化してき

ている。我々は、従来とは異なる切り口で、新規材料を含めて熱電材料の原子構造レベル、ナノ構

造レベルの制御方法を発見して、新規な高性能熱電材料を開発して先取りしようとしている。

熱電材料のハイスループットスパッタ材料合成・評価 Thermoelectric conversion materials by a high-throughput sputter material synthesis

後藤 真宏， エネルギー・環境材料研究拠点 熱電材料グループ

佐々木 道子，徐 一斌，高際 良樹，磯田 幸宏，篠原 嘉一

＜研究の背景＞

資源の枯渇の問題が深刻となり、熱電変換材料を用いて、これまで利用されてこなかった廃熱を電

気エネルギーに変換して有効活用することが急務。しかし、変換効率が不十分、環境適応性、コス

トの問題がある。これらを満たすためには、効率よく短期間で、最適な材料の組成・結晶構造、ナノ

レベルの構造制御を行い、材料スクリーニングが必要。

＜研究の狙い＞

ハイスループットスパッタ材料合成法、薄膜・超格子・多層膜作製など、独自に有する技術を駆使

し、ナノレベルで組成・結晶構造・周期構造・界面が制御された新規熱電材料を創製。そこで、新た

に発現する特異な熱電特性を解析することで、高速・高効率で高性能熱電材料の創製を目指す。

半導体ナノ構造太陽電池 Semiconductor Nanostructured Solar cells

Thiyagu Subramani， 国際ナノアーキテクトニクス研究拠点 半導体ナノ構造物質グループ

Wipakorn Jevasuwan， 国際ナノアーキテクトニクス研究拠点 半導体ナノ構造物質グループ

深田直樹， 国際ナノアーキテクトニクス研究拠点 半導体ナノ構造物質グループ

＜研究の背景＞

Si ナノ構造体を利用した太陽電池材料の開発： 高変換効率、低コスト、新機能

一般的なバルク Si 太陽電池の厚み： 180-200μm

一般的なバルク Si 太陽電池のコスト： 50-70 %が材料費

＜研究の狙い＞

Si ナノ構造体を複合機能化した次世代太陽電池材料の

開発：

1 次元、0 次元ナノ構造の利用

Si ナノ構造体の特徴を利用した変換効率の向上：

pn 接合面積の増大、低反射、高光吸収

Si 材料の削減による低コスト化：

Si 材料の使用量従来比 1/100

高性能ペロブスカイト太陽電池(PSC) High-efficiency perovskite solar cells

Liyuan Han， エネルギー・環境材料研究拠点 太陽光発電材料グループ

Ashraful Islam， エネルギー・環境材料研究拠点 太陽光発電材料グループ

＜研究の背景＞

太陽電池の普及は環境・エネルギー問題の課題解決に不可欠だ。ペロブスカイト太陽電池はペロ

ブスカイト層が光を吸収することを特徴とし、エネルギー変換効率が高く、しかも簡便な塗布法で作

製できるため、熾烈な研究開発競争が続いている。

＜研究の狙い＞

①吸収波長域が広いホルムアミジニウム(FA)系ペロブスカイトは、電子拡散長が短く、短絡電流の

増大に有利だが、電子収集効率（逆型ペロブスカイト太陽電池）が低い。FA 系に適したセル構造

の開発が課題だ。

② 製造コストを詳細に試算し、ペロブスカイト太陽電池のコストパフォーマンスを検討する。

P2-37

P2-38

—93—

低温大気圧接合による CFRP-金属ハイブリッド構造材料の構築 Hybrid Integration of CFRP and Structural Metals via Low Temperature Bonding

重藤 暁津，構造材料研究拠点 表面・接着科学グループ

＜研究の背景＞

耐環境性に優れた軽量移動体の開発には金属構造材料と CFRP の高度な複合化が必須 接合プロセスを低温大気圧で実行可能にすることが既存製造工程への応用性確保に必要 内部結合メカニズムの異なる材料の一括接合のためには極薄架橋性皮膜の形成が不可欠 ＜研究の狙い＞ 異種材に汎用性のある水和物架橋を水蒸気含有雰囲気での真空紫外光照射を利用して形成 150程度の低温加熱における水和物架橋間の脱水縮合反応を利用して強固な結合を獲得 架橋皮膜成長挙動を入射水分子数と紫外光照射時間の積などの簡単なパラメタで制御

低温大気圧表面改質技術は，あらゆる材料系・スケールにまたがった材料複合化に必須です．特

に，CFRP のみならずポリエーテルエーテルケトン（PEEK）など，生体センサ基板にも用いられてい

る材料と構造材料を組み合わせることで，機械的・電気的両方の機能を高度に混載したスマート軽

量構造材料の開発に繋がることが期待されます．

磁場を利用したセラミックス結晶配向制御技術 Control of crystalline orientation in ceramics by a strong magnetic field

鈴木 達，機能性材料研究拠点 セラミックスプロセッシンググループ

＜研究の背景＞

物質の特性は結晶方向に依存するため、セラミックスの組織粒を特性の優れた結晶方位に揃える

ことで材料特性が向上する。セラミックスにおいても磁場を用いることによって結晶方位を制御でき

るが、さらに、電気泳動堆積法や異方性粒子のテープキャストと組み合わせることにより、セラミック

スの高次な微構造制御が可能となる。

＜研究の狙い＞

テンプレート粒子成長法やホットフォージ法での配向付与では、形状、配向方位や適用物質に制限

が有る。そこで非立方晶系セラミックスが有する微弱な結晶磁気異方性を利用した。

この技術をイオン伝導体、圧電体、電池電極や透光性セラミックスなど種々のセラミックスへ適用し

た。

風化を模倣した熱化学プロセスによるセラミックの原料微細化とリサイクル Pulverization for production and recycling of ceramics via a chemo­thermally process mimicking weathering

ノビヤント アルフィアン 機能性材料研究拠点 光学単結晶グループ

西村聡之 構造材料研究拠点 構造用非酸化物セラミックスグループ

大橋直樹 機能性材料研究拠点 電子セラミックスグループ (東工大・元素戦略研究センター)

＜研究の背景＞

セラミックス製造プロセス高度化には、粒子形状、組成、分散性が制御された高品質原料が必要

希土類酸化物を加え、貴金属などを共焼成したセラミックス電子部品からの元素抽出の必要性

セラミックスが硬く、化学的に安定であることに由来する粉砕・微粉化プロセスの難しさと高コスト

＜研究の狙い＞

セラミックス製造の側面において

高温での固相反応による、均質化、高結晶性の促進と、粒成長・凝集とのトレードオフの克服

機械的プロセスを経由しないプロセスによって、コンタミネーションの機会を提言

リサイクルの側面において

溶解処理の前に微粉化、選鉱プロセスを解することによるリサイクルコストの低減

天然現象を模倣した新たなプロセスの可能性の提言

地殻表層で見られる風化現象などの地質・鉱物学的な現象とエンジニアリングの融合

P2-39

P2-40

—94—

Day 2

複合材料・特殊機能材料

連携ポスターセッション

低温大気圧接合による CFRP-金属ハイブリッド構造材料の構築 Hybrid Integration of CFRP and Structural Metals via Low Temperature Bonding

重藤 暁津，構造材料研究拠点 表面・接着科学グループ

＜研究の背景＞

耐環境性に優れた軽量移動体の開発には金属構造材料と CFRP の高度な複合化が必須 接合プロセスを低温大気圧で実行可能にすることが既存製造工程への応用性確保に必要 内部結合メカニズムの異なる材料の一括接合のためには極薄架橋性皮膜の形成が不可欠 ＜研究の狙い＞ 異種材に汎用性のある水和物架橋を水蒸気含有雰囲気での真空紫外光照射を利用して形成 150程度の低温加熱における水和物架橋間の脱水縮合反応を利用して強固な結合を獲得 架橋皮膜成長挙動を入射水分子数と紫外光照射時間の積などの簡単なパラメタで制御

低温大気圧表面改質技術は，あらゆる材料系・スケールにまたがった材料複合化に必須です．特

に，CFRP のみならずポリエーテルエーテルケトン（PEEK）など，生体センサ基板にも用いられてい

る材料と構造材料を組み合わせることで，機械的・電気的両方の機能を高度に混載したスマート軽

量構造材料の開発に繋がることが期待されます．

3-D Laser Printing of Structures for Improved Functionality and Safety

Christopher Mercer, Surface and Adhesion Science Group, Research Center for Structural Materials <Background> Laser printing offers a viable method of fabricating three-dimensional structures that can provide enhanced functionality and/or improved safety in a wide range of structural and aerospace applications, such as hypersonic aircraft, spacecraft, satellites and civil engineering structures <Aim> To fabricate three-dimensional structures such as low thermal expansion lattice structures (that would be very difficult to produce by conventional manufacturing methods) via laser printing and to study the properties of the printed structures Variation of the geometry of the printed structures allows factors such as thermal expansion and deformation/failure behavior to be precisely controlled for enhanced functionality and safety.

磁場を利用したセラミックス結晶配向制御技術 Control of crystalline orientation in ceramics by a strong magnetic field

鈴木 達，機能性材料研究拠点 セラミックスプロセッシンググループ

＜研究の背景＞

物質の特性は結晶方向に依存するため、セラミックスの組織粒を特性の優れた結晶方位に揃える

ことで材料特性が向上する。セラミックスにおいても磁場を用いることによって結晶方位を制御でき

るが、さらに、電気泳動堆積法や異方性粒子のテープキャストと組み合わせることにより、セラミック

スの高次な微構造制御が可能となる。

＜研究の狙い＞

テンプレート粒子成長法やホットフォージ法での配向付与では、形状、配向方位や適用物質に制限

が有る。そこで非立方晶系セラミックスが有する微弱な結晶磁気異方性を利用した。

この技術をイオン伝導体、圧電体、電池電極や透光性セラミックスなど種々のセラミックスへ適用し

た。

風化を模倣した熱化学プロセスによるセラミックの原料微細化とリサイクル Pulverization for production and recycling of ceramics via a chemo­thermally process mimicking weathering

ノビヤント アルフィアン 機能性材料研究拠点 光学単結晶グループ

西村聡之 構造材料研究拠点 構造用非酸化物セラミックスグループ

大橋直樹 機能性材料研究拠点 電子セラミックスグループ (東工大・元素戦略研究センター)

＜研究の背景＞

セラミックス製造プロセス高度化には、粒子形状、組成、分散性が制御された高品質原料が必要

希土類酸化物を加え、貴金属などを共焼成したセラミックス電子部品からの元素抽出の必要性

セラミックスが硬く、化学的に安定であることに由来する粉砕・微粉化プロセスの難しさと高コスト

＜研究の狙い＞

セラミックス製造の側面において

高温での固相反応による、均質化、高結晶性の促進と、粒成長・凝集とのトレードオフの克服

機械的プロセスを経由しないプロセスによって、コンタミネーションの機会を提言

リサイクルの側面において

溶解処理の前に微粉化、選鉱プロセスを解することによるリサイクルコストの低減

天然現象を模倣した新たなプロセスの可能性の提言

地殻表層で見られる風化現象などの地質・鉱物学的な現象とエンジニアリングの融合

P2-41

P2-42

—95—

Day 2

複合材料・特殊機能材料

連携ポスターセッション

新規エネルギー変換電極触媒 Novel Electrocatalysts for Electrochemical Energy Conversion Reaction

野口 秀典， エネルギー・環境材料研究拠点 ナノ界面エネルギー変換グループ

坂牛 健， エネルギー・環境材料研究拠点 ナノ界面エネルギー変換グループ

＜研究の背景＞

燃料電池車などＣＯ２削減に貢献する技術を広く世界に普及させるには、新しい電極触媒が必要と

なる。またコストの面から、白金などの貴金属に替わる新規触媒の探索・開発競争は世界的に活発

に行われている。その実現に向けては、固/液界面を反応場とするナノ界面の構造と機能を原子・

分子スケールで高精度に制御・解析し、エネルギー変換システムにおける普遍的な動作原理を解

明することが重要な要素となる。

＜研究の狙い＞

本研究では、非貴金属複合体において白金系触媒を超える燃料電池およびリチウム空気電池の

電極触媒の実現を目標とし、高効率な化学エネルギーと電気エネルギーの相互変換を可能とする

電極触媒技術の構築を目指す。具体的には、以下に示すような化学構造・結晶構造が制御された

モデル触媒を用い、電極触媒反応の基礎的メカニズムの解明を行う。

高性能燃料電池材料設計研究 （高分子形燃料電池、酸化物形燃料電池） Research for design of high quality fuel cell materials (Polymer membrane fuel cell and solid oxide fuel cell) 森 利之，エネルギー・環境材料研究拠点

Andirr Rednyk，鈴木 彰，大久保 弘，エネルギー・環境材料研究拠点

＜研究の背景＞

燃料電池は、水素と空気から電気を生み出すクリーンで高効率なエネルギーデバイス（発電デバイ

ス）。高分子形燃料電池（PEMFC）開発分野においては、高性能省白金電極開発が、固体酸化物

形燃料電池（SOFC）開発分野では中温域（650－700）動作用高性能電極開発が待望。

＜研究の狙い＞

マイクロアナリシス、欠陥構造シミュレーション及び合成プロセス設計を組み合わせる研究手法を用

いて、電極活物質/電解質界面の設計研究を実施。その結果、SOFC では、極微少量の白金をアノ

ードにドープして、中温域での性能の向上を達成。PEMFC では省白金電極の高性能化を推進中。

＜最先端研究トピックス＞

使いやすい温度（700）で動作する SOFC 性能の向上を可能にする極微少量白金（0.8ppm 程度）

がつくる新規機能性界面の創製に成功。

粒界制御による高靱性・延性マグネシウム合金 Development of high-toughness and ductility magnesium alloys by grain boundary control

染川 英俊，構造材料研究拠点 塑性加工プロセスグループ

＜研究の背景＞

・マグネシウムは、その軽量さと地球埋蔵量の豊富さから、次世代の軽量構造材料として注目

・使用時における安全・信頼性確保の観点から、強くて、壊れにくい、または変形しやすい素材創製

が急務な課題

＜研究の狙い＞

・結晶粒サイズ微細化と溶質元素添加は、金属冶金学に基づき広く認知された力学特性の改善策

・結晶粒サイズの微細化にともない増加する結晶粒界体積を制御因子として注目

・結晶粒界制御と微量溶質元素添加による力学特性の改質化に挑戦

具体例：

・粒界脆化因子の場合：亜結晶粒界の高密度化により粒界偏析を抑制し、高靱性化を達成

・粒界すべり助長因子の場合：粒界偏析を活用し、室温高延性化・二次易加工性を示唆

P2-43

P2-44

—96—

Day 2

連携ポスターセッション

複合材料・特殊機能材料／燃料電池材料　

Day 2

燃料電池材料

連携ポスターセッション

新規エネルギー変換電極触媒 Novel Electrocatalysts for Electrochemical Energy Conversion Reaction

野口 秀典， エネルギー・環境材料研究拠点 ナノ界面エネルギー変換グループ

坂牛 健， エネルギー・環境材料研究拠点 ナノ界面エネルギー変換グループ

＜研究の背景＞

燃料電池車などＣＯ２削減に貢献する技術を広く世界に普及させるには、新しい電極触媒が必要と

なる。またコストの面から、白金などの貴金属に替わる新規触媒の探索・開発競争は世界的に活発

に行われている。その実現に向けては、固/液界面を反応場とするナノ界面の構造と機能を原子・

分子スケールで高精度に制御・解析し、エネルギー変換システムにおける普遍的な動作原理を解

明することが重要な要素となる。

＜研究の狙い＞

本研究では、非貴金属複合体において白金系触媒を超える燃料電池およびリチウム空気電池の

電極触媒の実現を目標とし、高効率な化学エネルギーと電気エネルギーの相互変換を可能とする

電極触媒技術の構築を目指す。具体的には、以下に示すような化学構造・結晶構造が制御された

モデル触媒を用い、電極触媒反応の基礎的メカニズムの解明を行う。

ナノ相分離触媒による高効率分子変換 Molecular Conversions by Nanophase-separated Catalysts

阿部 英樹，エネルギー・環境材料研究拠点 水素製造材料グループ

今井 翼，エネルギー・環境材料研究拠点 水素製造材料グループ

＜研究の背景＞

新興国の成長に伴う地球環境汚染の深刻化とシェールガスなど非在来型化石資源の市場拡大を

前に地球環境の維持と資源利用の経済性を両立させる新たな環境・資源マネジメントの確立が急

務。

＜研究の狙い＞ 「ナノ相分離触媒」の創成による革新的環境・資源マネジメントの実現。

雰囲気や温度の変化に応じて合金相が自発的に形成

するナノスケールの相分離構造を活性中心として利用

することによって、従来の触媒材料を陳腐化する超高

活性分子変換材料：「ナノ相分離触媒」の創成に成功

（左図）。

高性能燃料電池材料設計研究 （高分子形燃料電池、酸化物形燃料電池） Research for design of high quality fuel cell materials (Polymer membrane fuel cell and solid oxide fuel cell) 森 利之，エネルギー・環境材料研究拠点

Andirr Rednyk，鈴木 彰，大久保 弘，エネルギー・環境材料研究拠点

＜研究の背景＞

燃料電池は、水素と空気から電気を生み出すクリーンで高効率なエネルギーデバイス（発電デバイ

ス）。高分子形燃料電池（PEMFC）開発分野においては、高性能省白金電極開発が、固体酸化物

形燃料電池（SOFC）開発分野では中温域（650－700）動作用高性能電極開発が待望。

＜研究の狙い＞

マイクロアナリシス、欠陥構造シミュレーション及び合成プロセス設計を組み合わせる研究手法を用

いて、電極活物質/電解質界面の設計研究を実施。その結果、SOFC では、極微少量の白金をアノ

ードにドープして、中温域での性能の向上を達成。PEMFC では省白金電極の高性能化を推進中。

＜最先端研究トピックス＞

使いやすい温度（700）で動作する SOFC 性能の向上を可能にする極微少量白金（0.8ppm 程度）

がつくる新規機能性界面の創製に成功。

粒界制御による高靱性・延性マグネシウム合金 Development of high-toughness and ductility magnesium alloys by grain boundary control

染川 英俊，構造材料研究拠点 塑性加工プロセスグループ

＜研究の背景＞

・マグネシウムは、その軽量さと地球埋蔵量の豊富さから、次世代の軽量構造材料として注目

・使用時における安全・信頼性確保の観点から、強くて、壊れにくい、または変形しやすい素材創製

が急務な課題

＜研究の狙い＞

・結晶粒サイズ微細化と溶質元素添加は、金属冶金学に基づき広く認知された力学特性の改善策

・結晶粒サイズの微細化にともない増加する結晶粒界体積を制御因子として注目

・結晶粒界制御と微量溶質元素添加による力学特性の改質化に挑戦

具体例：

・粒界脆化因子の場合：亜結晶粒界の高密度化により粒界偏析を抑制し、高靱性化を達成

・粒界すべり助長因子の場合：粒界偏析を活用し、室温高延性化・二次易加工性を示唆

P2-45

P2-46

—97—

Day 2

二次電池材料

連携ポスターセッション

酸化物ナノシートでつくる高温対応キャパシタ High-Temperature Capacitors Fabricated from Oxide Nanosheets

長田 実，国際ナノアーキテクトニクス研究拠点 機能性ナノシートグループ

＜研究の背景＞

近年、高度に電子制御されたスマートカーなどの開発が進められており、車載用電子部品に対応で

きる高温電子材料の開発が重要となっている。

＜研究の狙い＞

700の高温環境下で使用可能な高誘電体ナノ材料（ペロブスカイトナノシート）を発見した。この材

料を利用したナノの積木細工により、250の高温環境下でも安定に動作するコンデンサ素子の開

発に成功した。

[1] M. Osada, T. Sasaki, Adv. Mater., 24, 210 (2012); 固体物理, 47, 25 (2012).

[2] M. Osada et al., ACS Nano, 4, 5225 (2010).

[3] B. W. Li, M. Osada et al., ACS Nano, 8, 5449 (2014).

[4] Y.H. Kim, M. Osada et al., ACS Appl. Mater. Interfaces, 6,19510 (2014).

リチウム空気二次電池 Lithium-Air Rechargeable Battery

久保 佳実，エネルギー・環境材料研究拠点 ナノ材料科学環境拠点

伊藤 仁彦，エネルギー・環境材料研究拠点 空気電池グループ

＜研究の背景＞

• 電気自動車や太陽電池の広範な普及に、二次電池の抜本的な小型化と低価格化が必要。

• リチウム空気二次電池は最高の理論エネルギー密度を有する「究極の二次電池」。

• 蓄電容量の劇的な向上と大幅なコストダウンが可能。

＜研究の狙い＞

• リチウム空気二次電池のスタック構造を提案し、動作原理を実証。

• 長寿命化技術のため正極反応の安定性を各種手法で評価し、課題を抽出。

• リチウム金属負極の長寿命化可能な金属組織探索を開始。

全固体リチウム電池用シリコン系高容量負極 High-Capacity Silicon-Based Anodes for All Solid State Lithium Batteries

太田 鳴海，エネルギー・環境材料研究拠点 二次電池材料グループ

＜研究の背景＞

・「高安全性」を担保したうえでの「高容量化が車載用二次電池に対する社会のニーズ

・本研究は高性能・高安全性・高信頼性を有する全固体リチウム電池の高容量化に資する研究

・従来の有機電解液中において合金材料はサイクルに伴う容量低下が非常に顕著で課題

＜研究の狙い＞

・従来の黒鉛負極に比べ７倍以上の重量容量密度を示す高容量負極材料を全固体電池に適用

・従来のインターカレーション材料で無く，体積変化を伴う合金材料を全固体電池の負極に適用

・無機固体電解質の利用と負極内部の固相マトリックスの利用により容量劣化を大幅に低減

P2-47

P2-48

—98—

Day 2

二次電池材料

連携ポスターセッション

酸化物ナノシートでつくる高温対応キャパシタ High-Temperature Capacitors Fabricated from Oxide Nanosheets

長田 実，国際ナノアーキテクトニクス研究拠点 機能性ナノシートグループ

＜研究の背景＞

近年、高度に電子制御されたスマートカーなどの開発が進められており、車載用電子部品に対応で

きる高温電子材料の開発が重要となっている。

＜研究の狙い＞

700の高温環境下で使用可能な高誘電体ナノ材料（ペロブスカイトナノシート）を発見した。この材

料を利用したナノの積木細工により、250の高温環境下でも安定に動作するコンデンサ素子の開

発に成功した。

[1] M. Osada, T. Sasaki, Adv. Mater., 24, 210 (2012); 固体物理, 47, 25 (2012).

[2] M. Osada et al., ACS Nano, 4, 5225 (2010).

[3] B. W. Li, M. Osada et al., ACS Nano, 8, 5449 (2014).

[4] Y.H. Kim, M. Osada et al., ACS Appl. Mater. Interfaces, 6,19510 (2014).

High Performace Graphene Supercapacitors

Jie Tang, Advanced Low-Dimensional Nanomaterials G, Center for Green Research on Energy and

Environmental Materials

<Background>

High performance power storage is crucial for efficient use of energy. Graphene supercapacitors

offer a promising energy storage device with high performance in safety, cycle life, power density,

and cost effectiveness.

<Aim>

To meet the urgent demands for high–quality safety power storage, we are developing graphene

supercapacitors. They are capable of quick charging/discharging and can afford long service life,

enhanced safety, and low cost production.

Developed graphene supercapacitor showed a very high energy

density of 262Wh/kg and power density of 255kW/kg in

electrode materials. The graphene supercapacitor is expected

to spread mobile devices and EV widely. The test samples are

available.

リチウム空気二次電池 Lithium-Air Rechargeable Battery

久保 佳実，エネルギー・環境材料研究拠点 ナノ材料科学環境拠点

伊藤 仁彦，エネルギー・環境材料研究拠点 空気電池グループ

＜研究の背景＞

• 電気自動車や太陽電池の広範な普及に、二次電池の抜本的な小型化と低価格化が必要。

• リチウム空気二次電池は最高の理論エネルギー密度を有する「究極の二次電池」。

• 蓄電容量の劇的な向上と大幅なコストダウンが可能。

＜研究の狙い＞

• リチウム空気二次電池のスタック構造を提案し、動作原理を実証。

• 長寿命化技術のため正極反応の安定性を各種手法で評価し、課題を抽出。

• リチウム金属負極の長寿命化可能な金属組織探索を開始。

全固体リチウム電池用シリコン系高容量負極 High-Capacity Silicon-Based Anodes for All Solid State Lithium Batteries

太田 鳴海，エネルギー・環境材料研究拠点 二次電池材料グループ

＜研究の背景＞

・「高安全性」を担保したうえでの「高容量化が車載用二次電池に対する社会のニーズ

・本研究は高性能・高安全性・高信頼性を有する全固体リチウム電池の高容量化に資する研究

・従来の有機電解液中において合金材料はサイクルに伴う容量低下が非常に顕著で課題

＜研究の狙い＞

・従来の黒鉛負極に比べ７倍以上の重量容量密度を示す高容量負極材料を全固体電池に適用

・従来のインターカレーション材料で無く，体積変化を伴う合金材料を全固体電池の負極に適用

・無機固体電解質の利用と負極内部の固相マトリックスの利用により容量劣化を大幅に低減

P2-49

P2-50

—99—

Day 2

二次電池材料

連携ポスターセッション

全固体電池の最適材料：巨大データベースからの全自動決定に向けてDiscovery Automation for Battery Materials From Structure Database

中山 将伸，館山 佳尚， 情報統合型物質・材料研究拠点 蓄電池材料グループ

＜研究の背景＞

電気自動車の蓄電池では(1) 安全性向上と (2)航続距離増加のため高容量化が求められている。

そこで、可燃性の有機電解液を不燃のセラミックス固体電解質に置き換えることで安全性の向上を

実現し、１価のリチウムイオンを多価イオンに置き換えることで大幅な容量アップを実現する蓄電池

材料の発見に繋がる研究を行う。

＜研究の狙い＞

・環境・エネルギー問題の切り札となる蓄電池開発を加速

・飛躍的な安全性向上と高容量化を実現するポスト・リチウムイオン電池材料の高速探索

・高精度材料シミュレーションに情報学を組み合わせて電池材料ビッグデータを構築

＜最先端研究トピックス＞

１） 力場を用いた高速 Li イオン伝導性評価

２） 粒界の界面エネルギーインフォマティクス評価

３） 第一原理 MD 法による電解液材料探索・DB 構築

４） 機械学習やベイズ推定による物性最適化

簡便、低コストのナノカーボンコート法 Simple and Low Cost Nano-Carbon Coating Method

熊倉 浩明，機能性材料研究拠点 高温超伝導線材グループ

＜研究の背景＞

MgB2超伝導線材の B 原料粉末や、リチウムイオン電池の LiFePO4正極材粉末においては、ナノメ

ートルレベルのカーボンコートを適用することで特性が大幅に向上。問題点はコスト。簡便、低コスト

のナノカーボンコート法の開発でこれらの材料の実用化が加速。

＜研究の狙い＞

芳香族炭化水素の一種であるコロネン（C24H12）を使用した B 原料粉末ならびに LiFePO4電極粉末

への簡便なカーボンナノコートの試み。これらのカーボンコートした B 粉末や電極粉末を用いること

による、MgB2線材の臨界電流密度の向上、ならびにリチウムイオン電池の容量の向上。

＜最先端研究トピックス＞

本方法でカーボンコートした B 粉末を用いることにより、従来よりも大幅に高い臨界電流密度を有す

る MgB2線材の作製に成功。また、カーボンコートした LiFePO4電極粉末を用いることにより、リチウ

ムイオン電池の放電容量が約 2 倍になることを確認。

高機能電気化学インピーダンス解析ソフト High functional software for analysis on electrochemical impedance

小林 清，機能性材料研究拠点 セラミックスプロセッシンググループ

＜研究の背景＞

・高機能な電気化学インピーダンス解析ソフトを開発

・グラフそのものをインターフェイスに用いることにより解析を容易に

・経験則パラメータを用いない解析を簡便に行う新手法を開発

＜研究の狙い＞

・最小限の専門知識で最大限の解析結果を得るためのユーザーインターフェイスを開発

・詳細な解析結果の可視化により，ユーザーによる結果妥当性判断をサポート

・スペクトルに対する現象描像化を強力にサポート

汎用解析ソフト IgorPro (WaveMetrics 社製，http://www.wavemetrics.com)上で作動

クロスプラットフォーム（Windows OS, Mac OS）対応

32 bit, 64 bit 共に対応

高品質グラフ画像の出力，数値データへのアクセスが容易

その他，機能満載

P2-51

P2-52

—100—

全固体電池の最適材料：巨大データベースからの全自動決定に向けてDiscovery Automation for Battery Materials From Structure Database

中山 将伸，館山 佳尚， 情報統合型物質・材料研究拠点 蓄電池材料グループ

＜研究の背景＞

電気自動車の蓄電池では(1) 安全性向上と (2)航続距離増加のため高容量化が求められている。

そこで、可燃性の有機電解液を不燃のセラミックス固体電解質に置き換えることで安全性の向上を

実現し、１価のリチウムイオンを多価イオンに置き換えることで大幅な容量アップを実現する蓄電池

材料の発見に繋がる研究を行う。

＜研究の狙い＞

・環境・エネルギー問題の切り札となる蓄電池開発を加速

・飛躍的な安全性向上と高容量化を実現するポスト・リチウムイオン電池材料の高速探索

・高精度材料シミュレーションに情報学を組み合わせて電池材料ビッグデータを構築

＜最先端研究トピックス＞

１） 力場を用いた高速 Li イオン伝導性評価

２） 粒界の界面エネルギーインフォマティクス評価

３） 第一原理 MD 法による電解液材料探索・DB 構築

４） 機械学習やベイズ推定による物性最適化

計算科学技術支援による蓄電池機構解明と材料設計 Computer­aided mechanism elucidation and material design for batteries

館山 佳尚，エネルギー・環境材料研究拠点 界面計算科学グループ

袖山 慶太郎，情報統合型物質・材料研究拠点 モデリンググループ

＜研究の背景＞

エネルギーに関する諸問題の解決に向けた大型蓄電池、高効率触媒の開発のニーズ大。

高性能化に加えて安全性向上や長寿命化などの高信頼性の両立に対する多くの技術的課題。

近年計算科学・データ科学手法利用が注目を浴びるが、ブレークスルーの発見にはまだ至らず。

＜研究の狙い＞

我々は、既存の枠組みを超えた第一原理計算手法・計算技術の開発と、京コンピュータ等の高効

率利用を図ってきた。このオンリーワン技術により、汎用プログラムでは取り扱いが難しかった化学

反応機構の解明が可能になり、それをもとにした新たな材料設計が大いに期待できる状況にある。

この方向性は基礎的にも応用的にも大きなブレークスルーをもたらす可能性を秘めている。

簡便、低コストのナノカーボンコート法 Simple and Low Cost Nano-Carbon Coating Method

熊倉 浩明，機能性材料研究拠点 高温超伝導線材グループ

＜研究の背景＞

MgB2超伝導線材の B 原料粉末や、リチウムイオン電池の LiFePO4正極材粉末においては、ナノメ

ートルレベルのカーボンコートを適用することで特性が大幅に向上。問題点はコスト。簡便、低コスト

のナノカーボンコート法の開発でこれらの材料の実用化が加速。

＜研究の狙い＞

芳香族炭化水素の一種であるコロネン（C24H12）を使用した B 原料粉末ならびに LiFePO4電極粉末

への簡便なカーボンナノコートの試み。これらのカーボンコートした B 粉末や電極粉末を用いること

による、MgB2線材の臨界電流密度の向上、ならびにリチウムイオン電池の容量の向上。

＜最先端研究トピックス＞

本方法でカーボンコートした B 粉末を用いることにより、従来よりも大幅に高い臨界電流密度を有す

る MgB2線材の作製に成功。また、カーボンコートした LiFePO4電極粉末を用いることにより、リチウ

ムイオン電池の放電容量が約 2 倍になることを確認。

高機能電気化学インピーダンス解析ソフト High functional software for analysis on electrochemical impedance

小林 清，機能性材料研究拠点 セラミックスプロセッシンググループ

＜研究の背景＞

・高機能な電気化学インピーダンス解析ソフトを開発

・グラフそのものをインターフェイスに用いることにより解析を容易に

・経験則パラメータを用いない解析を簡便に行う新手法を開発

＜研究の狙い＞

・最小限の専門知識で最大限の解析結果を得るためのユーザーインターフェイスを開発

・詳細な解析結果の可視化により，ユーザーによる結果妥当性判断をサポート

・スペクトルに対する現象描像化を強力にサポート

汎用解析ソフト IgorPro (WaveMetrics 社製，http://www.wavemetrics.com)上で作動

クロスプラットフォーム（Windows OS, Mac OS）対応

32 bit, 64 bit 共に対応

高品質グラフ画像の出力，数値データへのアクセスが容易

その他，機能満載

P2-53

P2-54

—101—

Day 2

マテリアルズ・インフォマティクス

連携ポスターセッション

スパースモデリングで始める社内 MI イノベハブ Sparce modelling supports in-house MI innovation hub

岡田 真人， 情報統合型物質・材料研究拠点 モデリンググループ

＜研究の背景＞

物質空間は極めて広大（例えば、有機化合物の化学空間には，約 1060個の候補分子が存在）

物質探索の本質は，このような広大な空間から所望の性質を有する埋蔵物質を発掘すること

経験則に基づく試行錯誤的な設計，計算，実験というループだけでは決して超えられない壁がデ

ータ科学の導入により、研究開発プロセスを加速

＜研究の狙い＞

本研究では，物質・材料科学における情報統合型研究の可能性と有効性の検証を目的とする．機

能性材料に関するデータ解析の目標と方略を明確にする．マテリアルズインフォマティクスに必要な

機械学習やデータ解析手法の既存手法を整理し，必要に応じて新規手法の立案と開発を行う．出

口 3 課題と密接に連携し，モデリングの立場で統合することにより，マテリアルズインフォマティクス

の基盤を形成する．

最少労力・最大効率の物性予想 ビッグデータ時代の材料開発汎用パッケージ New Python package for materials development

津田 宏治，情報統合型物質・材料研究拠点 データ科学グループ

＜研究の背景＞

・最小のコストで、最大の物質開発の成果をあげたい

・材料開発の問題は、ブラックボックス関数に関する最適化問題

・ベイズ最適化は、機械学習を用いたブラックボックス関数最適化法

＜研究の狙い＞

・材料科学に関わる研究者が簡単に使える python パッケージを公開

・高速なアルゴリズム・ハイパーパラメータの自動設定などの特徴を持つ

・コンソーシアムなどで広く利用されることを期待

機械学習による磁性予測 コンピュータが考えたキュリー温度 Machine-learning Regression of Magnetic Properties: Computer Predicts Curie Temperature

小口 多美夫，情報統合型物質・材料研究拠点 磁石・スピントロニクスグループ

＜研究の背景＞

・モーター用強力磁石や磁気記録媒体のための新物質・材料への期待

・機械学習と計算科学を用いた物質開発への期待

＜研究の狙い＞

・室温以上での動作環境に耐える高キュリー温度を有する物質探索

・正確かつ効率的な理論的記述の困難

・データ科学的手法による効率化

遷移金属化合物の磁性の記述には最先端の第一原理計算手法が必要で、ハイスループットな物

質開発の障害になっている。希土類・遷移金属化合物を例にとり、機械学習により実験データのキ

ュリー温度が正確に再現できることを示す。この方法を用いた効率的な新磁性物質探索の可能性

を議論する。

P2-55

P2-56

—102—

Day 2

マテリアルズ・インフォマティクス

連携ポスターセッション

スパースモデリングで始める社内 MI イノベハブ Sparce modelling supports in-house MI innovation hub

岡田 真人， 情報統合型物質・材料研究拠点 モデリンググループ

＜研究の背景＞

物質空間は極めて広大（例えば、有機化合物の化学空間には，約 1060個の候補分子が存在）

物質探索の本質は，このような広大な空間から所望の性質を有する埋蔵物質を発掘すること

経験則に基づく試行錯誤的な設計，計算，実験というループだけでは決して超えられない壁がデ

ータ科学の導入により、研究開発プロセスを加速

＜研究の狙い＞

本研究では，物質・材料科学における情報統合型研究の可能性と有効性の検証を目的とする．機

能性材料に関するデータ解析の目標と方略を明確にする．マテリアルズインフォマティクスに必要な

機械学習やデータ解析手法の既存手法を整理し，必要に応じて新規手法の立案と開発を行う．出

口 3 課題と密接に連携し，モデリングの立場で統合することにより，マテリアルズインフォマティクス

の基盤を形成する．

機械学習で埋蔵分子を発掘 ― R 言語パッケージ iqspr Machine Learning for Accelerated Design of New Materials - R Package iqspr

吉田 亮， 情報統合型物質・材料拠点，情報・システム研究機構 統計数理研究所

池端 久貴， 総合研究大学院大学

＜研究の背景＞

・物質空間は極めて広大（例えば、有機化合物の化学空間には、約 1060個の候補分子が存在）

・物質探索の本質は、このような広大な空間から所望の性質を有する埋蔵物質を発掘すること

・経験則に基づく試行錯誤的な設計、計算、実験というループだけでは決して超えられない壁がデ

ータ科学の導入により、研究開発プロセスを加速

＜研究の狙い＞

ベイズ統計と第一原理計算を組み合わせた物質探索技術

(1) 構造・物性データから機械学習で構造から性質のフォーワード予測モデルを導出

(2) これをベイズ則に従い反転させ、性質から構造のバックワード予測モデルを導出

(3) バックワードモデルから仮説構造を発生させ、所望物性を有する埋蔵物質を発掘

最少労力・最大効率の物性予想 ビッグデータ時代の材料開発汎用パッケージ New Python package for materials development

津田 宏治，情報統合型物質・材料研究拠点 データ科学グループ

＜研究の背景＞

・最小のコストで、最大の物質開発の成果をあげたい

・材料開発の問題は、ブラックボックス関数に関する最適化問題

・ベイズ最適化は、機械学習を用いたブラックボックス関数最適化法

＜研究の狙い＞

・材料科学に関わる研究者が簡単に使える python パッケージを公開

・高速なアルゴリズム・ハイパーパラメータの自動設定などの特徴を持つ

・コンソーシアムなどで広く利用されることを期待

機械学習による磁性予測 コンピュータが考えたキュリー温度 Machine-learning Regression of Magnetic Properties: Computer Predicts Curie Temperature

小口 多美夫，情報統合型物質・材料研究拠点 磁石・スピントロニクスグループ

＜研究の背景＞

・モーター用強力磁石や磁気記録媒体のための新物質・材料への期待

・機械学習と計算科学を用いた物質開発への期待

＜研究の狙い＞

・室温以上での動作環境に耐える高キュリー温度を有する物質探索

・正確かつ効率的な理論的記述の困難

・データ科学的手法による効率化

遷移金属化合物の磁性の記述には最先端の第一原理計算手法が必要で、ハイスループットな物

質開発の障害になっている。希土類・遷移金属化合物を例にとり、機械学習により実験データのキ

ュリー温度が正確に再現できることを示す。この方法を用いた効率的な新磁性物質探索の可能性

を議論する。

P2-57

P2-58

—103—

Day 2

マテリアルズ・インフォマティクス

連携ポスターセッション

高温センサー用Ca3TaGa3­xAlxSi2O14 (CTGAS) 圧電単結晶 Piezoelectric Ca3TaGa3­xAlxSi2O14 (CTGAS) Single Crystals

for High Temperature Sensors 島村 清史， 機能性材料研究拠点光学単結晶グループ，機能性材料研究拠点光学単結晶グループ， 機能性材料研究拠点光学単結晶グループ大橋 直樹， 機能性材料研究拠点 ＜研究の背景＞ 内燃機関（自動車のエンジンなど）の燃費向上、排ガスのクリーン化へ向け、燃焼圧を直接計測す

る燃焼圧センサーの必要性が向上。これに適した優れた圧電材料開発への期待の高まり。＜研究の狙い＞ 燃焼圧センサーに適する、優れた圧電体単結晶の提案。高温で圧電体として動作し、かつ、でΩ・以上の抵抗率。低コスト、かつ、量産性を持つ単結晶材料とその育成技術。単結晶の開発。でΩ・を達成。

をで％置換し、低コスト化、抵抗率と圧電定数の

最大化。るつぼでの育成技術確立。右：開発した単結晶。本研究の一部は文部科学省元素戦略プロジェク

ト＜研究拠点形成型 電子材料拠点＞の支援。

情報駆動型材料開発の根幹 データプラットフォーム A Basis of Materials Research by Information Integration: Overview of NIMS Data Platform

徐 一斌， 情報統合型物質・材料研究拠点 データベースグループ

桑島 功， 情報統合型物質・材料研究拠点 データベースグループ

細谷 順子， 情報統合型物質・材料研究拠点 データベースグループ

＜研究の背景＞

物質・材料研究を第４の科学であるデータ駆動型へと変革させる潮流が起きている。物質・材料分

野における膨大なデータ群の蓄積と、ビッグデータ解析の一種である機械学習など、最先端の情報

科学を駆使した解析の組み合わせによって、新規物質・材料の探査を行うためのデータプラットフォ

ームの構築を行った。情報統合型物質・材料開発イニシアティブ(MI2I）のプロジェクトメンバー、コン

ソーシアムメンバーによる利用の後、一般公開を目指す。

＜研究の狙い＞

・ 基礎データとなる無機材料データの充実

・ NIMS 物質・材料データベース(MatNavi)の主要データベースのＡＰＩ開発

・ シミュレーション・ツール・データ解析環境の構築

革新的な構造材料開発のためのマテリアルズインテグレーション（ＭＩ） システム Materials Integration System for Innovative Structural Materials

源 聡， 構造材料研究拠点 SIP-MI ラボ

門平 卓也， 構造材料研究拠点 SIP-MI ラボ

出村 雅彦， 構造材料研究拠点 SIP-MI ラボ

渡邊 誠， 構造材料研究拠点 SIP-MI ラボ

＜研究の背景＞

従来の構造材料開発では、新材料の開発から実機に適用されるまでに、１５～２０年という非常に

長い時間が掛かってきた。この開発期間を短縮することが出来れば、より優れた材料をより早く市

場に投入することができ、産業競争力の大きな向上に繋がると期待できる。

＜研究の狙い＞

内閣府 SIP「革新的構造材料」マテリアルズインテグレーション（代表：小関敏彦 教授（東大））で

は、計算科学やデータ科学、理論、経験式など様々な手法を組み合わせ、コンピュータ上で材料組

織、性能を予測し、材料開発を支援するためのシステム開発を行っている。

P2-59

P2-60

—104—

Day 2

マテリアルズ・インフォマティクス

連携ポスターセッション

高温センサー用Ca3TaGa3­xAlxSi2O14 (CTGAS) 圧電単結晶 Piezoelectric Ca3TaGa3­xAlxSi2O14 (CTGAS) Single Crystals

for High Temperature Sensors 島村 清史， 機能性材料研究拠点光学単結晶グループ，機能性材料研究拠点光学単結晶グループ， 機能性材料研究拠点光学単結晶グループ大橋 直樹， 機能性材料研究拠点 ＜研究の背景＞ 内燃機関（自動車のエンジンなど）の燃費向上、排ガスのクリーン化へ向け、燃焼圧を直接計測す

る燃焼圧センサーの必要性が向上。これに適した優れた圧電材料開発への期待の高まり。＜研究の狙い＞ 燃焼圧センサーに適する、優れた圧電体単結晶の提案。高温で圧電体として動作し、かつ、でΩ・以上の抵抗率。低コスト、かつ、量産性を持つ単結晶材料とその育成技術。単結晶の開発。でΩ・を達成。

をで％置換し、低コスト化、抵抗率と圧電定数の

最大化。るつぼでの育成技術確立。右：開発した単結晶。本研究の一部は文部科学省元素戦略プロジェク

ト＜研究拠点形成型 電子材料拠点＞の支援。

熱輸送物性の統合と産業用素材の設計 Integration of Heat Transportation Related Properties & Materials Design for Industry

徐 一斌， 情報統合型物質・材料研究拠点 伝熱制御・熱電グループ

塩見 淳一郎， 情報統合型物質・材料研究拠点 伝熱制御・熱電グループ

篠原 嘉一， 情報統合型物質・材料研究拠点 伝熱制御・熱電グループ

＜研究の背景＞

LED やパワーデバイスなどの長寿命・高効率化、エンジンの熱効率の向上、廃熱や再生可能熱エ

ネルギーを利用した発電など、熱エネルギーの有効利用は、深刻化するエネルギー問題解決の

鍵。伝熱制御材料と熱電材料は、それを実現するための基盤である。しかし、従来の熱伝導制御理

論及び材料開発手法は、限界があり、新素材の探索には、ブレークスルーが必要。

＜研究の狙い＞

本研究は、フォノン輸送特性シミュレーション、コンビナトリアル実験、データベース、機械学習など

の手法を融合させることにより、極高熱伝導率を有する放熱材料、極低熱伝導率を有する断熱薄

膜、および、高機能ユビキタス元素系熱電変換材料の探索・開発を行う。

情報駆動型材料開発の根幹 データプラットフォーム A Basis of Materials Research by Information Integration: Overview of NIMS Data Platform

徐 一斌， 情報統合型物質・材料研究拠点 データベースグループ

桑島 功， 情報統合型物質・材料研究拠点 データベースグループ

細谷 順子， 情報統合型物質・材料研究拠点 データベースグループ

＜研究の背景＞

物質・材料研究を第４の科学であるデータ駆動型へと変革させる潮流が起きている。物質・材料分

野における膨大なデータ群の蓄積と、ビッグデータ解析の一種である機械学習など、最先端の情報

科学を駆使した解析の組み合わせによって、新規物質・材料の探査を行うためのデータプラットフォ

ームの構築を行った。情報統合型物質・材料開発イニシアティブ(MI2I）のプロジェクトメンバー、コン

ソーシアムメンバーによる利用の後、一般公開を目指す。

＜研究の狙い＞

・ 基礎データとなる無機材料データの充実

・ NIMS 物質・材料データベース(MatNavi)の主要データベースのＡＰＩ開発

・ シミュレーション・ツール・データ解析環境の構築

革新的な構造材料開発のためのマテリアルズインテグレーション（ＭＩ） システム Materials Integration System for Innovative Structural Materials

源 聡， 構造材料研究拠点 SIP-MI ラボ

門平 卓也， 構造材料研究拠点 SIP-MI ラボ

出村 雅彦， 構造材料研究拠点 SIP-MI ラボ

渡邊 誠， 構造材料研究拠点 SIP-MI ラボ

＜研究の背景＞

従来の構造材料開発では、新材料の開発から実機に適用されるまでに、１５～２０年という非常に

長い時間が掛かってきた。この開発期間を短縮することが出来れば、より優れた材料をより早く市

場に投入することができ、産業競争力の大きな向上に繋がると期待できる。

＜研究の狙い＞

内閣府 SIP「革新的構造材料」マテリアルズインテグレーション（代表：小関敏彦 教授（東大））で

は、計算科学やデータ科学、理論、経験式など様々な手法を組み合わせ、コンピュータ上で材料組

織、性能を予測し、材料開発を支援するためのシステム開発を行っている。

P2-61

P2-62

—105—

Day 2

連携ポスターセッション

マテリアルズ・インフォマティクス／センサー材料

Day 2

センサー材料

連携ポスターセッション

細胞移動解析のための新材料 Materials for cell migration assay

中西 淳，MANA メカノバイオロジーグループ

山口 和夫，神奈川大学理学部化学科

＜研究の背景＞

細胞移動はがんの転移や組織の線維化と関連しており，その制御機構の解明や活性を調節する

薬剤の探索は病態進行阻止に重要である。特に移動活性は細胞外マトリクス（ECM）の力学・幾何

学的特徴に応じて大きく変動するため，この点を踏まえた細胞移動解析系の開発が重要である。

＜研究の狙い＞

・細胞の光パターニング技術に基づく細胞移動解析系を開発。

・生体組織に近いハイドロゲル表面での細胞パターニングを実現。

・マルチウェルプレートを用いた薬剤解析系の開発と検証実験。

モイスチャーセンサ：微小な水滴を検出・判別 Moisture detection/distinction sensor

川喜多 仁，MANA 半導体デバイス材料グループ

＜研究の背景＞

・湿気（モイスチャー）のような微小な水滴のサイズは、潤いや結露等に及ぼす影響が大。

・従来の湿度計・結露検出器では判別することが不可能。

・微小な水滴を高精度・高感度・高速で検出し、サイズを判別する小型センサを開発。

＜研究の狙い＞

・微小な水滴を検出： 最小径0.5 ミクロン ＜結露検出器よりも100倍以上高精度＞

・水滴のサイズを判別： 0.5～40 ミクロン＜湿度計・結露検出器では不可能＞

・短い応答時間： 0.02 秒以内 ＜湿度計よりも10倍以上高速応答＞

応用先：出てくる／くっつく水滴の検出／判別

応用分野：美容・衛生・医療・食料・繊維・紙・プラスチック・インフ

ラ・モビリティ・ハウス／オフィス・アグリ・ロジスティクス

波長選択型赤外線デバイス Miniature Wavelength-selective Infrared Sensors

長尾 忠昭， 国際ナノアーキテクトニクス研究拠点 ナノ光制御グループ

横山喬大，石井智，DAO Duy Thang， 国際ナノアーキテクトニクス研究拠点 ナノ光制御グループ

＜研究の背景＞

サーモグラフィ―、赤外線カメラなどは赤外線の強度を元に温度の情報を画像化している。赤外線

センサーに波長分解能を付与することで、温度だけでなく、物質の種類や状態に関するより詳細な

情報が得られる。本開発では、赤外線の波長を区別して検出できる小型なセンサーを開発した。

＜研究の狙い＞

地上の全ての物体は赤外線を放射する。この放射される赤外線の種類を区別することで、温度だ

けでなく物体の種類や状態について、より詳細な情報を得ることができる。このような計測を可能と

する小型の赤外線波長分別器を、ナノリソグラフィー法により開発し、赤外線検出材料に組み込ん

だ。このような素子により、将来は赤外線をカラー画像として認識させ、環境・物質センシングとして

使用する方法が可能になるものと考えている。

P2-63

P2-64

—106—

Day 2

生体材料

連携ポスターセッション

細胞移動解析のための新材料 Materials for cell migration assay

中西 淳，MANA メカノバイオロジーグループ

山口 和夫，神奈川大学理学部化学科

＜研究の背景＞

細胞移動はがんの転移や組織の線維化と関連しており，その制御機構の解明や活性を調節する

薬剤の探索は病態進行阻止に重要である。特に移動活性は細胞外マトリクス（ECM）の力学・幾何

学的特徴に応じて大きく変動するため，この点を踏まえた細胞移動解析系の開発が重要である。

＜研究の狙い＞

・細胞の光パターニング技術に基づく細胞移動解析系を開発。

・生体組織に近いハイドロゲル表面での細胞パターニングを実現。

・マルチウェルプレートを用いた薬剤解析系の開発と検証実験。

血管新生能と組織接着能を有する成長因子フリー多孔膜 Growth Factor­free and Porous Adhesive Membrane with Angiogenic Property

田口 哲志，機能性材料研究拠点 バイオポリマーグループ

＜研究の背景＞

血流が不足している部位等への血管新生を促すために、材料に成長因子を浸みこませて徐放させ

る研究や成長因子を産生する幹細胞と材料を組み合わせる等の既存研究あり。しかしながら、成

長因子は高価で増殖効果が低下しやすいなどが課題。

＜研究の狙い＞

ブタ由来ゼラチンに、組織接着性が高く成長因子との結合性も高いヘキサノイル基を化学修飾した

ヘキサノイル化ゼラチンを用いて多孔膜を開発。この多孔膜は、高い軟組織接着性を示し、体内の

成長因子を吸着・徐放することにより材料のみで高い血管新生能を保持。

モイスチャーセンサ：微小な水滴を検出・判別 Moisture detection/distinction sensor

川喜多 仁，MANA 半導体デバイス材料グループ

＜研究の背景＞

・湿気（モイスチャー）のような微小な水滴のサイズは、潤いや結露等に及ぼす影響が大。

・従来の湿度計・結露検出器では判別することが不可能。

・微小な水滴を高精度・高感度・高速で検出し、サイズを判別する小型センサを開発。

＜研究の狙い＞

・微小な水滴を検出： 最小径0.5 ミクロン ＜結露検出器よりも100倍以上高精度＞

・水滴のサイズを判別： 0.5～40 ミクロン＜湿度計・結露検出器では不可能＞

・短い応答時間： 0.02 秒以内 ＜湿度計よりも10倍以上高速応答＞

応用先：出てくる／くっつく水滴の検出／判別

応用分野：美容・衛生・医療・食料・繊維・紙・プラスチック・インフ

ラ・モビリティ・ハウス／オフィス・アグリ・ロジスティクス

波長選択型赤外線デバイス Miniature Wavelength-selective Infrared Sensors

長尾 忠昭， 国際ナノアーキテクトニクス研究拠点 ナノ光制御グループ

横山喬大，石井智，DAO Duy Thang， 国際ナノアーキテクトニクス研究拠点 ナノ光制御グループ

＜研究の背景＞

サーモグラフィ―、赤外線カメラなどは赤外線の強度を元に温度の情報を画像化している。赤外線

センサーに波長分解能を付与することで、温度だけでなく、物質の種類や状態に関するより詳細な

情報が得られる。本開発では、赤外線の波長を区別して検出できる小型なセンサーを開発した。

＜研究の狙い＞

地上の全ての物体は赤外線を放射する。この放射される赤外線の種類を区別することで、温度だ

けでなく物体の種類や状態について、より詳細な情報を得ることができる。このような計測を可能と

する小型の赤外線波長分別器を、ナノリソグラフィー法により開発し、赤外線検出材料に組み込ん

だ。このような素子により、将来は赤外線をカラー画像として認識させ、環境・物質センシングとして

使用する方法が可能になるものと考えている。

P2-65

P2-66

—107—

Day 2

生体材料

連携ポスターセッション

ドープフリー高伝導性有機材料 Doping-free highly-conducting organic materials

小林 由佳，機能性材料研究拠点 分子機能化学グループ

＜研究の背景＞

・軽量，柔軟，安価，高加工性を有する有機物材料 ―次世代電子材料としての期待

・高伝導性有機材料の利用用途は特に多岐にわたる ―透明電極や太陽電池など

・プリンタブルに使用可能な高伝導性有機物 ―強酸でドープした伝導性高分子のみ

＜研究の狙い＞

・安定かつ環境にやさしい高伝導性有機材料の新合成法を確立すべき

・伝導性発現の根源に立ち返り，新原理に基づいた有機伝導性物質を創製

・用途に合わせた電子物性のチューニングができる物質系の確立

ドーピングや電気化学的手法を必要とせず, 溶液プロセスのみで純物質から成る高伝導性有機物

を合成する新技術を開発．プリンタブルな新規高伝導性有機材料を紹介．

リン脂質のみで構成される多孔性固体粒子を利用した薬物治療システムMesoporous Particles Composed Solely of Phospholipids for Drug Delivery

川上 亘作，国際ナノアーキテクトニクス研究拠点 医療応用ソフトマターグループ

＜研究の背景＞

薬物担体は医薬品化合物が有する能力を最大化するが、それ自身の安全性担保に対する手間と

コストが障害となるため、新規担体の採用へのハードルは極めて高い。我々は、既に医薬品担体と

して利用されており、安全性も極めて高いリン脂質のみを原料として、新規薬物担体を開発した。

＜研究の狙い＞

我々のリン脂質薬物担体は、固形製剤に適用できる多孔性粒子であり、経口、経肺、経鼻投与や、

化粧品等への利用が想定される。例えば難水溶性薬物の経口吸収性を顕著に改善できることが確

認された。調製は凍結乾燥のみで行うことができ、工業化も極めて容易と期待される。

生体膜成分であるレシチンのみを用いて、多孔性粒子（右写真）を作成

する技術を開発した。本粒子は、親水性、疎水性、両方の薬物担体とし

て機能し、それらの経粘膜吸収を促進する。従来 DDS において代表的

薬物担体として用いられてきたリポソームと異なり、固形製剤として利

用が容易である。

Development of Nanostructured Scaffolds

Guoping Chen, Tissue Regeneration Materials Group, MANA

Naoki Kawazoe, Tissue Regeneration Materials Group, MANA

<Background>

Nanostructured porous scaffolds play an important role in three-dimensional cell culture to control

cell functions such as cell proliferation and differentiation and to guide regeneration of new tissues

for transplantation, which has been growing to a huge market in human healthcare.

<Aim>

Porous scaffolds with precisely controlled pore structures and bioactive molecules are designed for

tissue regeneration. Highly functional scaffolds are prepared by hybridization with cell-killing

nanoparticles or drugs for cancer therapy.

A few novel types of scaffolds with unique pore structures, excellent biocompatibility and high

functions are designed and prepared. They include porous scaffolds with precisely controlled nano-

and microporous structures and hybrid scaffolds of biodegradable polymers and bioactive molecules.

The scaffolds can be used for tissue engineering of a variety of tissues such as skin, cartilage, bone

and muscle and for efficient cancer therapy.

P2-67

P2-68

—108—

Day 2

有機材料

連携ポスターセッション

ドープフリー高伝導性有機材料 Doping-free highly-conducting organic materials

小林 由佳，機能性材料研究拠点 分子機能化学グループ

＜研究の背景＞

・軽量，柔軟，安価，高加工性を有する有機物材料 ―次世代電子材料としての期待

・高伝導性有機材料の利用用途は特に多岐にわたる ―透明電極や太陽電池など

・プリンタブルに使用可能な高伝導性有機物 ―強酸でドープした伝導性高分子のみ

＜研究の狙い＞

・安定かつ環境にやさしい高伝導性有機材料の新合成法を確立すべき

・伝導性発現の根源に立ち返り，新原理に基づいた有機伝導性物質を創製

・用途に合わせた電子物性のチューニングができる物質系の確立

ドーピングや電気化学的手法を必要とせず, 溶液プロセスのみで純物質から成る高伝導性有機物

を合成する新技術を開発．プリンタブルな新規高伝導性有機材料を紹介．

分子で操るトンネル電流 Organic molecules for tunneling devices

若山 裕 ，国際ナノアーキテクトニクス研究拠点 量子デバイス工学グループ

早川竜馬，国際ナノアーキテクトニクス研究拠点 量子デバイス工学グループ

＜研究の背景＞

・微細化と高密度集積化の限界と消費電力の膨大な増加

・トンネル素子実現に向けたナノスケール量子構造の精密設計

・多彩な分子機能を活用したナノエレクトロニクス素子の開発

＜研究の狙い＞

・超低消費電力、高記録密度を兼ね備えた次世代単一電子メモリ

・分子機能を活用した高集積密度、高速動作を併せ持つ縦型トンネルトランジスタの開発

・Ｓｉプロセスと分子エレクトロニクスの融合。More than Moore に向けたデバイス開発

このままだと 2025 年頃には総電力量の 20％が IT 機器により消費されるとの試算もある。

そのため低消費電力に向けたデバイスの開発が喫緊の課題となりつつある。私たちはこの問

題を解決するため、わずかな電流で駆動する新しい電子デバイスの開発に取り組んでいる。

リン脂質のみで構成される多孔性固体粒子を利用した薬物治療システムMesoporous Particles Composed Solely of Phospholipids for Drug Delivery

川上 亘作，国際ナノアーキテクトニクス研究拠点 医療応用ソフトマターグループ

＜研究の背景＞

薬物担体は医薬品化合物が有する能力を最大化するが、それ自身の安全性担保に対する手間と

コストが障害となるため、新規担体の採用へのハードルは極めて高い。我々は、既に医薬品担体と

して利用されており、安全性も極めて高いリン脂質のみを原料として、新規薬物担体を開発した。

＜研究の狙い＞

我々のリン脂質薬物担体は、固形製剤に適用できる多孔性粒子であり、経口、経肺、経鼻投与や、

化粧品等への利用が想定される。例えば難水溶性薬物の経口吸収性を顕著に改善できることが確

認された。調製は凍結乾燥のみで行うことができ、工業化も極めて容易と期待される。

生体膜成分であるレシチンのみを用いて、多孔性粒子（右写真）を作成

する技術を開発した。本粒子は、親水性、疎水性、両方の薬物担体とし

て機能し、それらの経粘膜吸収を促進する。従来 DDS において代表的

薬物担体として用いられてきたリポソームと異なり、固形製剤として利

用が容易である。

Development of Nanostructured Scaffolds

Guoping Chen, Tissue Regeneration Materials Group, MANA

Naoki Kawazoe, Tissue Regeneration Materials Group, MANA

<Background>

Nanostructured porous scaffolds play an important role in three-dimensional cell culture to control

cell functions such as cell proliferation and differentiation and to guide regeneration of new tissues

for transplantation, which has been growing to a huge market in human healthcare.

<Aim>

Porous scaffolds with precisely controlled pore structures and bioactive molecules are designed for

tissue regeneration. Highly functional scaffolds are prepared by hybridization with cell-killing

nanoparticles or drugs for cancer therapy.

A few novel types of scaffolds with unique pore structures, excellent biocompatibility and high

functions are designed and prepared. They include porous scaffolds with precisely controlled nano-

and microporous structures and hybrid scaffolds of biodegradable polymers and bioactive molecules.

The scaffolds can be used for tissue engineering of a variety of tissues such as skin, cartilage, bone

and muscle and for efficient cancer therapy.

P2-69

P2-70

—109—

Day 2

有機材料

連携ポスターセッション

機能性「液体」材料 Functional “Liquid” Materials

中西 尚志，国際ナノアーキテクトニクス研究拠点 フロンティア分子グループ

＜研究の背景＞

有機・高分子材料の最大の利点は、材料の「柔らかさ」。表示材料やエレクトロニクス材料の素材と

なるπ共役系色素分子における改善要求：光や熱に対する耐久性の向上。

分子凝集が無く、光・電子機能の予測も可能、且つ材料加工性に優れる有機「液体」材料に着目。

＜研究の狙い＞

液体材料の利点：流動性を活かした形状に依存しない加工性、機械変形の自由度（柔軟性）。

常温「機能性液体」：光電子機能を司るπ共役分子に柔軟且つ嵩高いアルキル鎖を導入。

π共役部位が隔離・保護→有機色素としての光・熱耐久性が向上。機能性フルイド「新素材」。

好きな形に切れるディスプレイ Cuttable display sheets

樋口 昌芳，機能性材料研究拠点 電子機能高分子グループ

＜研究の背景＞

有機／金属ハイブリッドポリマーは、金属イオンと有機配位子が交互につながった構造を有する新

しいポリマーであり、ポリマー中の金属イオンと有機配位子間の電子的相互作用により、従来の有

機ポリマーにはないユニークな電子・イオン・光機能の発現が期待される。

＜研究の狙い＞

（１）新しい有機／金属ハイブリッドポリマーの開発

（２）得られたポリマーを用いた表示デバイスの創製

（３）表示デバイス応用に向けたシステム構築

今回、有機／金属ハイブリッドポリマーの優れた製膜性を生かして、フレキシブルなシート状のエレ

クトロクロミックディスプレイの開発に成功。湿気や酸素に対する本ポリマーの高い安定性に基づい

て、ハサミで切り取っても、電圧印加により繰り返し表示させることができました。

P2-71

P2-72

—110—

Day 2

有機材料

連携ポスターセッション

芳香族バイオマスを用いた機能性樹脂 Aromatic Biomass-based Functional Resin

内藤 昌信，構造材料研究拠点 異材接着材料グループ

＜研究の背景＞

・日本の文化を背景に開発された日本発の技術である抗菌技術。

・海外でも「KOHKIN」の名称が普及。

・人や環境に優しく高機能を維持できる材料が熱望。

＜研究の狙い＞

・安価で高性能な資源として、芳香性バイオマスに注目。

・NIMS が持つコア技術は、タンニン酸（ポリフェノール）の抗菌などの優れた機能を損なわず、さら

にはより引き出して、変性・加工する技術。

・すでに、樹脂・塗料・界面活性剤・接着剤等の開発に成功。

機能性「液体」材料 Functional “Liquid” Materials

中西 尚志，国際ナノアーキテクトニクス研究拠点 フロンティア分子グループ

＜研究の背景＞

有機・高分子材料の最大の利点は、材料の「柔らかさ」。表示材料やエレクトロニクス材料の素材と

なるπ共役系色素分子における改善要求：光や熱に対する耐久性の向上。

分子凝集が無く、光・電子機能の予測も可能、且つ材料加工性に優れる有機「液体」材料に着目。

＜研究の狙い＞

液体材料の利点：流動性を活かした形状に依存しない加工性、機械変形の自由度（柔軟性）。

常温「機能性液体」：光電子機能を司るπ共役分子に柔軟且つ嵩高いアルキル鎖を導入。

π共役部位が隔離・保護→有機色素としての光・熱耐久性が向上。機能性フルイド「新素材」。

好きな形に切れるディスプレイ Cuttable display sheets

樋口 昌芳，機能性材料研究拠点 電子機能高分子グループ

＜研究の背景＞

有機／金属ハイブリッドポリマーは、金属イオンと有機配位子が交互につながった構造を有する新

しいポリマーであり、ポリマー中の金属イオンと有機配位子間の電子的相互作用により、従来の有

機ポリマーにはないユニークな電子・イオン・光機能の発現が期待される。

＜研究の狙い＞

（１）新しい有機／金属ハイブリッドポリマーの開発

（２）得られたポリマーを用いた表示デバイスの創製

（３）表示デバイス応用に向けたシステム構築

今回、有機／金属ハイブリッドポリマーの優れた製膜性を生かして、フレキシブルなシート状のエレ

クトロクロミックディスプレイの開発に成功。湿気や酸素に対する本ポリマーの高い安定性に基づい

て、ハサミで切り取っても、電圧印加により繰り返し表示させることができました。

P2-73

—111—

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