ФИЗИКО-ХИМИЧЕСКИЕ ОСНОВЫ НАНОТЕХНОЛОГИИ

ФИЗИКО-ХИМИЧЕСКИЕФИЗИКО-ХИМИЧЕСКИЕОСНОВЫОСНОВЫ

НАНОТЕХНОЛОГИИНАНОТЕХНОЛОГИИ

Профессор Н.Г. Профессор Н.Г. РамбидиРамбиди

14. Национальная 14. Национальная нанотехнологическая нанотехнологическая

инициатива СШАинициатива СШАи ее международные и ее международные

следствияследствия

NSF – National Science FoundationNSF – National Science FoundationNEC – National Economic CommissionNEC – National Economic CommissionDOD – Department of DefenseDOD – Department of DefenseDOC – Department of CommerceDOC – Department of CommerceDOE – Department of EnergyDOE – Department of EnergyDOT – US Department of TransportationDOT – US Department of TransportationDoTREAS – Department of TreasuryDoTREAS – Department of TreasuryOSTP – Office of Science and Technology PolicyOSTP – Office of Science and Technology PolicyNSTC – National Science and Technology CouncilNSTC – National Science and Technology CouncilOMB – Office of Management and BudgetOMB – Office of Management and BudgetNASA – National Aeronautic and Space NASA – National Aeronautic and Space Administration AdministrationNIH – National Institute of HealthNIH – National Institute of Health

ННИ : организации соучредители

Структура ННИСтруктура ННИ

The essence of nanotechnology is the ability to work The essence of nanotechnology is the ability to work at the molecular level, atom by atom, to create large at the molecular level, atom by atom, to create large

structures with fundamentally new molecular structures with fundamentally new molecular organization … organization …

Nanotechnology is concerned with materials and Nanotechnology is concerned with materials and systems whose structures and components exhibit systems whose structures and components exhibit

novel and significantly improved physical, chemical, novel and significantly improved physical, chemical, and biological properties, phenomena, and processes and biological properties, phenomena, and processes

due to their nanoscale size. The aim is to exploit due to their nanoscale size. The aim is to exploit these properties by gaining control of structures and these properties by gaining control of structures and

devices at atomic, molecular, and supramolecular devices at atomic, molecular, and supramolecular levels and to learn to efficiently manufacture and levels and to learn to efficiently manufacture and

use these devices. Maintaining the stability of use these devices. Maintaining the stability of interfaces, and the integration of these interfaces, and the integration of these

"nanostructures" at the micron-length scale and "nanostructures" at the micron-length scale and macroscopic scale is another objective.macroscopic scale is another objective.

ННИ – основные ННИ – основные направлениянаправления

Нанотехнология: Нанотехнология: финансирование до 2000 гфинансирование до 2000 г

ННИ: финансирование ННИ: финансирование 2001 г2001 г

ННИ: финансирование ННИ: финансирование 2001г2001г

Некоторые результатыНекоторые результаты

Опреснение морской Опреснение морской водыводы

Молекулярная Молекулярная оперативная памятьоперативная память

Наноструктурированные Наноструктурированные катализаторыкатализаторы

Наночастицы доставляют Наночастицы доставляют лекарстволекарство

Полимеры с дисперснымПолимеры с дисперснымнаполнителемнаполнителем

ДНК диагностикаДНК диагностика

Нанотехнология и энергетикаНанотехнология и энергетика

D.D. KoellingD.D. KoellingBasic Energy SciencesBasic Energy Sciences

May 15, 2002May 15, 2002

Nanoscience ActivitiesNanoscience Activitiesin Basic Energy Sciencesin Basic Energy Sciences

BASIC ENERGY SCIENCES -- Serving the Present, Shaping the Future

<With special thanks to Walter J. Stevens><With special thanks to Walter J. Stevens>

NNI FY 2003 Funding RequestsNNI FY 2003 Funding RequestsDOE is one of the three lead agenciesDOE is one of the three lead agencies

National Nanotechnology Initiative(NNI Coordination Office compilation, as of 1/18/02)

FY 2003

221.0201.0133.0

678.7

NSFDODDOE

TOTAL NNI

(Dollars in millions)

117.4All other agencies

+ up to $15M in FY 02 *

* Excludes funding for synchrotron light source and neutron scattering facility operations and beamlines.

National Nanotechnology Initiative Focus AreasNational Nanotechnology Initiative Focus Areas

Long-term, fundamental nanoscience and engineering research FY 2001: BES awarded $26.5M in new NNI funds based on peer review --

76 university grants ($16.1M) and 12 laboratory awards ($10.4M) FY 2002: BES may award up to $15M based on peer review

340 university proposals + 37 national lab proposals under review FY 2003 (Request)

BES $93M for research + $35M for construction and PED(including ~$3.0M for Theory and Modeling in Nanoscience)

ASCR $4M (including $3.0M for support of Theory and Modeling in Nanoscience)

FY 2004: …

Centers and networks of excellence BES Nanoscale Science Research Centers – the DOE “flagship” NNI activity

Research infrastructure BES supports the synchrotron light sources, neutron scattering facilities, and other

specialized facilities in support of nanoscale science

Some Interesting ChallengesSome Interesting Challenges

Nanoparticles contain between hundreds and billions of atoms.Nanoparticles contain between hundreds and billions of atoms.Molecular dynamics and Monte Carlo atomic studies can deal with Molecular dynamics and Monte Carlo atomic studies can deal with billions of atoms. billions of atoms.Density Functional Theory can deal with the electrons of up to a Density Functional Theory can deal with the electrons of up to a thousand atoms. thousand atoms.Quantum Monte Carlo calculations can deal with the electrons more Quantum Monte Carlo calculations can deal with the electrons more closely correlating their motions up to ~150 atoms. closely correlating their motions up to ~150 atoms.Quantum Chemical calculations describe that correlated motion for Quantum Chemical calculations describe that correlated motion for smaller numbers of atoms (50?) smaller numbers of atoms (50?)

Nanoparticles contain “countable” numbers of atoms.Nanoparticles contain “countable” numbers of atoms.We probably will do the atomistic calculations.We probably will do the atomistic calculations.We also will use the larger scale descriptions --- but now we can We also will use the larger scale descriptions --- but now we can benchmark them! benchmark them!

Nanoparticles are dynamic entities --- here is where the community will have to Nanoparticles are dynamic entities --- here is where the community will have to confront the limitations of different time scales. confront the limitations of different time scales.

Some Computational IssuesSome Computational Issues

Eigensystems and Linear Algebra for very large NEigensystems and Linear Algebra for very large NO(N) approachesO(N) approachesSparseSparse

Fast Algorithms (FFT, FMM, • • • • )Fast Algorithms (FFT, FMM, • • • • )- Fast Poisson Solver- Fast Poisson Solver

OptimizationOptimization

Changing Time and Length ScalesChanging Time and Length Scales

Data Visualization/MiningData Visualization/Mining

A workshop has been recently held (most slides were stolen from there) and a A workshop has been recently held (most slides were stolen from there) and a report will be out shortly. Some items that mix my own thoughts with those report will be out shortly. Some items that mix my own thoughts with those discussed there ----discussed there ----

NSRCs:

Research facilities for synthesis, processing, and fabrication of nanoscale materials

Co-located with existing user facilities (synchrotron radiation light sources, neutron scattering facilities, other specialized facilities) to provide characterization and analysis capabilities

Operated as user facilities; available to all researchers; access determined by peer review of proposals

Provide specialized equipment and support staff not readily available to the research community

Conceived with broad input from university and industry user communities to define equipment scope

NSRCs have been extensively reviewed by external peers and by the Basic Energy Sciences Advisory Committee

Nanoscale Science Research Centers (NSRCs)Nanoscale Science Research Centers (NSRCs)

NSRCs ( ) and the BES User FacilitiesNSRCs ( ) and the BES User Facilities

Under construction

In design/engineering

In design/engineering

Advanced Light Source

Stanford Synchrotron

Radiation Lab

National Synchrotron Light Source

Advanced Photon Source

National Center for Electron

Microscopy

Shared Research Equipment Program

Center for Microanalysis of

Materials

Electron Microscopy Center for Materials

Research

High-Flux Isotope Reactor

Intense Pulsed Neutron Source

Combustion Research Facility

James R. MacDonald Lab

Pulse Radiolysis Facility

Materials Preparation Center

Surface Modification & Characterization

Center

Los Alamos Neutron Science

Center

Center for Nanophase

Materials Sciences

Spallation Neutron Source

Linac Coherent Light Source

Center for Integrated

Nanotechnologies

MolecularFoundry

The Molecular FoundryThe Molecular FoundryLawrence Berkeley National LaboratoryLawrence Berkeley National Laboratory

O O

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21st Century Challenge

Combine nanoscale building blocks to make functional devices, e.g., a photosynthetic reaction center with integral semiconductor storage

Unique tools and capabilities: Advanced Light Source National Center for Electron Microscopy National Energy Research Scientific Computing Center Nationally unique facilities, such as the

e-beam nanowriter – nanofabrication facility Outstanding faculty and students in multidisciplinary

research, including materials science • physics • chemistry • biochemistry • biomolecular materials • engineering

Scientific focus areas: Combination of “soft” and “hard” materials/building units Multicomponent functional assemblies

ННИ: перспективыННИ: перспективы

ННИ: финансирование ННИ: финансирование 2005 г2005 г

Нанотехнология Нанотехнология и Министерство и Министерство обороны СШАобороны США

Нанотехнология Нанотехнология и ВМФ СШАи ВМФ США

Нанаотехнология и Нанаотехнология и космические космические исследованияисследования

Международная Международная активностьактивность

Европейская активностьЕвропейская активность

FP6 NanoMatPro (NMP)FP6 NanoMatPro (NMP)

The new Work Programme 2004- 2nd Call opportunities

Nanotechnologies and nanosciences, knowledge-based multifunctional materials, and new production processes and devices - NMP

Nicholas HartleyDG Research, Unit G-1 “Policy Aspects”

Focusing and Integrating ERA 13345• Pr 1 genomics and biotech for health 2255• Pr 2 information society technologies 3625• Pr 3 nanotech, intelligent mat, production nanotech, intelligent mat, production 1300 1300• Pr 4 aeronautics and space 1075• Pr 5 food safety and health risks 685 • Pr 6 sustainable dev & global change 2120• Pr 7 citizens and governance 225• Pr 8 anticipating needs (INCO, CRAFT, JRC, etc) 2080

Structuring the ERA 2605research & innovation, human resources, infrastructures, science & society

Strengthening the Foundations of ERA 320coordination of activities, development of policies

TOTAL (Millions €)

FP6:FP6:Budget 2002 – 2006 Budget 2002 – 2006

(excluding Euratom)(excluding Euratom)

16270

Thematic Priority 3 concentrates on:

i) Nanotechnology, as a flagship of the next industrial revolution

ii) Multi-functional knowledge-based Materials, as critical drivers of innovation

iii)New Production processes and devices, as the key to sustainable development

Focus on:

Self-organisation and self-assembling (STREP) Molecular motors (STREP) Expanding knowledge in size-dependent phenomena (SSA) New knowledge on interfaces for new applications (STREP) Nanostructured surfaces (IP) Industrially relevant production of nanoparticles (IP) Characterisation and/or manipulation devices & techniques (STREP) Impact on human health and environment (SSA; CA) Ethical, legal, social aspects of research in nanotechnology (SSA)

AREA 1: AREA 1: Nanosciences and Nanotechnologies

WP 2004 and next callsWP 2004 and next callsNext Call 2004

Нанотехнология в ЯпонииНанотехнология в Японии

Последние результатыПоследние результаты

Автомобиль без водителяАвтомобиль без водителя

Автомобиль без водителяАвтомобиль без водителя

Автомобиль без водителяАвтомобиль без водителя