Basic Energy Sciences

Harriet Kung Associate Director of Science for Basic Energy Sciences

U.S. Department of Energy

Board on Physics and Astronomy Keck Center of the National Academies

April 26, 2013

FY 2012 BES Program Highlights

EFRCs Early Career Awards Light Sources

FY 2014 Budget Request

Upcoming Strategic Planning

Outline

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Energy Frontier Research Centers

Participants: 46 EFRCs in 35 States + Washington D.C. ~850 senior investigators and

~2,000 students, postdoctoral fellows, and technical staff at ~115 institutions >250 scientific advisory board members from 13 countries and >40 companies

Progress to date (~3.5 years funding): >3,400 peer-reviewed papers including

>110 publications in Science and Nature 18 PECASE and 11 DOE Early Career Awards >200 patent/patent applications, plus an additional

>60 invention disclosures and at least 30 licenses At least 60 companies have benefited from EFRC research EFRC students and staff now work in: >195 university faculty and staff positions;

>290 industrial positions; >115 national labs, government, and non-profit positions

http://science.energy.gov/bes/efrc/

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Companies that Benefit from EFRC Research

Scientific Achievement Experimental confirmation of prediction of a metal-organic framework (MOF) material that purifies gas mixtures at near-ambient conditions

Significance and Impact For oil and chemical industries, MOFs could reduce costs and environmental impacts by replacing large-scale, energy-intensive gas separation processes

Research Details – MOFs are crystals consisting of metal clusters attached to

organic molecules to form porous structures. – Today, oil companies produce hydrocarbons by cracking

long-chain hydrocarbons at high temperatures and then separating them using energy intensive distillation at high pressures and cryogenic temperatures.

– MOFs separate at lower pressures and 45°C by preferential adsorption of hydrocarbons at iron (Fe) centers with high selectivity.

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Metal-Organic Framework (MOF) Materials Enable Efficient, Low-Cost Hydrocarbon Separation

Experimentally determined crystal structure of the gas separating MOF [Fe2(dobdc)] with an ethylene molecule bound to the open coordination site at each iron center.

E. D. Bloch et al. Science 335, 1606-1610 (2012). Work was performed at the Center for Gas Separations Relevant to Clean Energy Technologies EFRC.

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Autonomic Shutdown of Overheated Li-ion Batteries

Scientific Achievement Thermally-triggered shutdown of lithium-ion batteries was achieved using thermo-responsive microcapsules.

Significance and Impact Engineered microcapsules do not harm performance and do prevent fires through shutdown of overheated lithium ion batteries.

Research Details – ~4 μm thermo-responsive

polyethylene microspheres were deposited on battery components with no impact on normal operation.

– Batteries were cycled at 110°C to activate micro- spheres, which safely terminated battery operation.

. M. Baginska, B.J. Blaiszik, R.J. Merriman, N.R. Sottos, J.S. Moore, and S.R. White, Advanced Energy Materials 2(5), 583–590 (2012). Work was performed at the University of Illinois, Urbana-Champaign

Cross section (left) and top-down (right) views of: Top: a graphite (MCMB) anode. Middle: an MCMB anode coated with thermoresponsive PE microspheres. Bottom: a coated MCMB anode that has undergone autonomic shutdown (110°C).

Real example of a laptop with a lithium ion battery experiencing a thermal runaway. The owner dropped it on the ground as it started to flame. Moments later there was a small explosion that ejected the CD drive.

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SUF Awards CSGB Awards

MSE Awards BES Applications

29 BES Early Career Awards in FY12

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Office of Science Early Career Research Program – Started in FY10 Purpose: To support individual research programs of outstanding scientists early in their

careers and to stimulate research careers in the disciplines supported by the Office of Science http://science.energy.gov/early-career/

Eligibility: Within 10 years of receiving a Ph.D., either untenured academic assistant or associate professors on the tenure track or full-time DOE national lab employees

5-Yr Awards: University grants $150,000/yr, National lab awards $500,000/yr min FY12 Program • 24 Program Areas in BES • ~850 SC proposals received • 29 BES Awards out of 68 total for SC – 21 Universities, 8 National Labs • 3-Yr Total = 86 BES Early Career Awards is

~40% of all 206 SC Awards

FY 13 Early Career Program Announced on July 20, 2012

Early Career Awards Bring New Talent and Ideas to BES

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PI: Wei-Ren Chen, ORNL Goal: Combine tailored synthesis, neutron scattering experiments, and computa-tional modeling to understand novel soft colloid systems for energy materials.

Multiphasic soft colloids: From fundamentals to application of energy sustainability Rational Design and Nanoscale Integration of Multi-Heterostructures as Highly Efficient Photocatalysts

PI: Xiangfeng Duan, UCLA Goal: Investigate fundamental electronic, optoelectronic properties of nanostructured semiconductor photodiodes to enable efficient charge separation, transportation and photon-to-electron conversion.

Assembling Microorganisms into Energy Converting Materials

PI: Gary Douberly, Univ. Georgia Goal: Use HENDI (Helium nanodrop isolation) spectroscopy to make the first direct observation of the elusive combustion hydroalkyl peroxy radical (QOOH) and its oxygen adducts (O2QOOH) which play important roles in combustion.

PI: Ozgur Sahin, Columbia Goal: Investigate basic science aspects of using bacterial spores as functional materials that can robustly and efficiently convert energy from variations in ambient conditions.

Vibrational Spectroscopy of Transient Combustion Intermediates Trapped in Helium Nanodroplets

01,0002,0003,0004,0005,0006,0007,0008,0009,000

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CFN CNMCINT MFCNMS ShaRENCEM EMCLujan HFIRSNS HFBRLCLS APSALS SSRLNSLS

More than 300 companies from various sectors of the manufacturing, chemical, and pharmaceutical industries conducted research at BES scientific user facilities. Over 30 companies were Fortune 500 companies.

BES User Facilities Hosted Over 15,000 Users in FY 2012

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X-ray light source leading to solar shingles development

• In situ x-ray diffraction / differential scanning calorimetry studies by researchers from Dow Chemical using the DND-CAT 5-ID beamline at the U.S. Department of Energy Office of Science’s Advanced Photon Source at Argonne National Laboratory were used to investigate process / structure / property relationships in CuInGaSe materials (the active material in the first “solar shingles”).

Phases, Kinetics, Processing Manufacturing Solar power that isn’t on

the roof, but IS the roof!

Opening 2013 Will employ 1200 people by 2015

In

Se

Cu

B. Landes, S. Rozeveld, B. Kern, B. Nichols, and J. Gerbi (Dow Chemical Co.)

Research at APS (2007-2009)

DOW POWERHOUSE™ Solar Shingles

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4 Nobel Prizes in 10 Years Using SC Light Sources

2003: Roderick MacKinnon (Chemistry) for “structural and mechanistic studies of ion channels.” Used NSLS beamlines X25 and X29.

2006: Roger Kornberg (Chemistry) "for his studies of the molecular basis of eukaryotic transcription.” Used SSRL macromolecular crystallography beamlines.

2009: Venkatraman Ramakrishnan, Thomas A. Steitz, and Ada E. Yonath (Chemistry) "for studies of the structure and function of the ribosome.” Used all 4 DOE light sources.

2012: Robert J. Lefkowitz and Brian K. Kobilka (Chemistry) "for studies of G-protein-coupled receptors.” Used APS beamline 23-ID.

The visualized transcription process.

The 50S subunit structure at 2.4Å resolution.

The overall view of a voltage-dependent potassium ion channel.

The structure of the β2AR-Gs complex.

Previously, LCLS has performed one experiment at a time due to the difficulty of splitting the beam A novel beam splitting scheme now allows two experiments to be performed simultaneously – A thin diamond crystal transmits 70% of the incident

broad bandpass beam and the transmitted beam is used for nano-crystallography experiments at the CXI station

– The thin diamond crystal also reflects a monochromatic

slice out of the incident beam and this is redirected by a second diamond crystal into the XPP station for pump-probe studies

– The data for both CXI and XPP is of the same quality as when the experiments are performed one at a time

Simultaneous Hard X-ray Experiments at LCLS

X-ray beam profiles in CXI showing minimal effects of the thin diamond crystal

Mono out Mono In

XPP

CXI

Two diamond(111) crystals

SCU0 5th Harmonic and Undulator A at 85 keV

SCU0 5th harmonic scan (680 Amps to 580 Amps)

Undulator A scan (12 to 11mm)

SCU0 flux at 85 keV is 1.4x higher than Undulator A

SCU0 spatial distribution at 85 keV as undulator current is scanned (movie)

Increased high energy flux and beamtime - 6 user groups already have performed experiments with SCU0 at 85-125 keV since commissioning in February

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Basic Energy Sciences

Understanding, predicting, and ultimately controlling matter and energy flow at the electronic, atomic, and molecular levels

FY 2014 Budget Highlights: Energy Frontier Research Centers (EFRCs) are recompeted (both existing and new) Energy Innovation Hubs

Fuels from Sunlight Hub: Joint Center for Artificial Photosynthesis (JCAP) will be in its fourth project year. Batteries and Energy Storage: Joint Center for Energy Storage Research (JCESR) will be in its second year.

Core research Research, approximately flat at the FY 2012 level, increases work at the mesocale (2012 BESAC report From Quanta to

the Continuum: Opportunities for Mesoscale Science).

Scientific user facilities are funded at optimum operations Construction projects

National Synchrotron Light Source-II Linac Coherent Light Source-II

Major Items of Equipment Advanced Photon Source Upgrade NSLS-II Experimental Tools

Energy Frontier Research Centers Re-competition in FY2014

The initial 46 EFRCs were funded for 5-years beginning in FY 2009: 30 EFRCs were funded annually at about $100M; 16 were fully funded by Recovery Act support

For FY 2014, funding continues at $100M plus one-time funding of $68.7M Solicitation will request both renewal and new EFRC applications including:

– Areas of energy-relevant research identified by recent BES and BESAC workshops – Research to advance the rate of materials and chemical discovery – Mesoscale science

Selection of awards will be based on rigorous peer review of applications of the proposed research

– Renewal awards will include assessment of the progress during the first 5-year award

Renewal and new awards will maintain a balanced EFRC portfolio for grand challenge and use-inspired energy research

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Status of BES Projects

CD-0 CD-1 CD-2 CD-3 or CD-3a │ CD-3b

CD-4 FY 2013

FY 2014 Request

FY 2014 Activities

NSLS-II August 2005

July 2007

January 2008

January 2009 3Q FY15 $71.6M $53.7M Startup and commissioning of the storage ring and remaining accelerator systems, completion of the project beamlines, and transition to operations in anticipation of an early finish in June 2014

LCLS-II April 2010

October 2011

4Q FY13 March 2012

4Q FY13 4Q FY19 $45M $95.7M Continuation of engineering design, procurements, technical systems, and civil and conventional construction

APS-U April 2010

Sept 2011

3Q FY13 August 2012

1Q FY14 4Q FY20 $20M $39.2M Design and procurement activities in support of the short-pulse X-ray source development and the project begins construction

NEXT May 2010

Dec 2011

4Q FY13 4Q FY13 1Q FY14 4Q FY17 $12M $25M Continue design, procurements, and begin construction/fabrication activities after CD-3b (Approve Start of Construction) is received.

SING-II October 2005

Sept 2007

Feb 2008 Jan 2009 Jan 2009 Feb 2010

Jan 2009 Feb 2010 Feb 2010 Jan 2011

Feb 2012

4Q FY13 4Q FY14 4Q FY14

N/A N/A Continue fabrication and deliver the final two instruments (USANS, CORELLI) and request CD-4 (Project Completion) for the project.

Feb 2012

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Light Source Upgrades and Instrumentation

Advanced Photon Source Upgrade (APS-U) Temporal resolution to 1 picosecond, spatial resolution <1 nm above 25 keV Accelerator and x-ray source upgrades, new and upgraded beamlines Cost Range: $310M - $450M (Major Item of Equipment) FY 2013 $20M to continue R&D, design, and begin fabrication of the technical

scope FY 2014 Request of $39.2M for design and procurement activities in support of

the short-pulse X-ray source development and the project begins construction

NSLS-II Experiment Tools (NEXT) Enhance NSLS-II with 5 best-in-class beamlines chosen from peer reviewed

proposals (fabricate 5 beamlines; complete the design for the 6th) Beamlines will support 300-400 users per year Cost Range: $83M - $90M (Major Item of Equipment) FY 2013 $12M to continue equipment design and long lead procurements FY 2014 Request $25M to continue design, procurements, and begin

construction/fabrication activities after CD-3b (Approve Start of Construction) is approved.

CD-0 CD-1 CD-2 CD-3a CD-3b CD-4 FY 2013 FY 2014 Request

APS-U April 2010 Sept 2011 3Q FY13 August 2012

1Q FY14 4Q FY20 $20M $39.2M

NEXT May 2010 Dec 2011 4Q FY13 4Q FY13 1Q FY14 4Q FY17 $12M $25M

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LCLS Has Significant International Competition

LCLS-I, II 2009, 2018 14.5 GeV, 120 Hz NC

SACLA 2011 8.5 GeV, 60 Hz NC

XFEL 2015 17.5 GeV, 3000 x 10 Hz SC

PAL XFEL 2015 10 GeV, 100 Hz NC

SWISS FEL 2017 5.8 GeV, 100 Hz NC Four normal conducting (NC) linacs

One pulsed superconducting (SC) linac

DOE Light Sources & Key Worldwide Competitors There are many more UV/X-ray rings, IR/UV FELs, and a few ERLs (2013)

ALS NSLS-I,II

SSRL

MAX IV

SIRIUS

Storage Rings in Blue FELs in Red

APS,U

PETRA III

SPRING8,U

ESRF,U

LCLS-I,II

XFEL PAL XFEL

SACLA XFEL

SWISSFEL

NGLS

FLASH-I,II

PSI SLS

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Specifying the Next U.S. Light Source

BESAC Study (4Q 2008): Next Generation Photon Sources for grand Challenges in Science and Energy

Described important connections between science challenges and photon source characteristics

Two most important source requirements Femtosecond time resolution Nanometer spatial resolution

BES Workshop (3Q 2009): Accelerator Physics for Future Light Sources

Defined the state of the art in accelerator physics & technology for future light sources

BESAC Study (1Q 2013): SC “Priority Goal” Rated existing & planned facilities based on their impact on

science in the next decade and their readiness to proceed to construction (for “planned”)

Endorsed a new light source to maintain world leadership

BESAC Study (3Q 2013): Future science & light source facility assessment

Will evaluate science grand challenges requiring new light sources Will evaluate future light source tech specs and concepts that

would maximize the impact on science grand challenges Will identify R&D initiatives