Office of Basic Energy Sciences Office of Science U.S. Department of Energy. BASIC ENERGY SCIENCES -- Serving the Present, Shaping the Future. Basic Energy Sciences Update. Dr. Harriet Kung Director, Office of Basic Energy Sciences (Acting) Office of Science U.S. Department of Energy
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Office of Basic Energy SciencesOffice of ScienceU.S. Department of Energy
Basic Energy Sciences Update
Dr. Harriet Kung
Director, Office of Basic Energy Sciences (Acting)
Office of Science
U.S. Department of Energy
21 February 2008
Execution of the FY 2008 budget
FY 2009 budget request
Looking Forward: Tackling Our Energy Challenges in a New Era of Science
Department of Energy
Office of the Under Secretary for Science
Dr. Raymond L. Orbach
Under Secretary for Science
FY 2008 budget $1.27 B
Budget Request (shaded)
vs. Appropriation (solid)
Budget (in $B)
Department of Energy Funding
Red: Energy (EERE, NE, FE & OE)
Blue: Office of Science
Appropriations (in $B)
Data from DOE CF-30, http://www.mbe.doe.gov/crOrg/cf30.htm
Impacts of FY 2008 Appropriations to BES Programs
Results of FY 2007 Solicitations
A Retrospective View of A Remarkable Journey-
Defining the Science Directions
Basic Research Needs To Assure A Secure Energy Future
Current projections estimate that the energy needs of the world will more than double by the year 2050. This is coupled with increasing demands for “clean” energy—sources of energy that do not add to the already high levels of carbon dioxide and other pollutants in the environment. These enormous challenges cannot be fully met by existing technologies, and scientific breakthroughs will be required to provide reliable, economic solutions for our future energy security
This seminal workshop report indentified the broad basic research directions that will help provide the major scientific discoveries necessary for major technological changes in the largest industries in the world—those responsible for energy production and use.
The findings of this 2003 report gave birth to a series of ten follow-on Basic Research Needs workshops over the next five years, which together attracted more than 1,500 participants from universities, industry, and Department of Energy laboratories. These reports provide in-depth analyses on how the work of the scientific community can further our Nation’s most challenging energy missions.
BESAC Basic Research Needs to Assure A Secure Energy Future Report
Basic Research Needs Workshops:
Help Define Research Directions and Provide the Links to Societal Needs
Full reports released since the last BESAC meeting in 09/07
Electrical Energy Storage
The projected doubling of world energy consumption within the next 50 years, coupled with the growing demand for low- or even zero-emission sources of energy, has brought increasing awareness of the need for efficient, clean, and renewable energy sources. Energy based on electricity generated from renewable sources, such as solar or wind, offer enormous potential for meeting future energy demands. However, practical use of large scale solar- or wind-based electrical generation requires electrical energy storage (EES) systems to level their cyclic nature. In addition, greatly improved EES systems are needed to replace today’s hybrid electric vehicles with plug-in hybrids or all-electric vehicles.
The discovery of novel nanoscale materials with architectures tailored for specific performance offer particularly exciting possibilities for the development of revolutionary three-dimensional architectures that simultaneously optimize ion and electron transport and capacity. New capabilities are also needed to “observe” the dynamic composition and structureat an electrode surface, in real time, during charge transport and transfer processes. New in situ photon- and particle-based microscopic, spectroscopic and scattering techniques with time resolution down to the femtosecond range and spatial resolution spanning the atomic and mesoscopic scales are needed to meet this challenge. Research to formulate a predictive knowledge of structural and functional relationships based upon multiscale integrating theory-based methods at different time and length scales can effectively complement experimental efforts to provide insight into mechanisms, predict trends and identify new materials.
BES Basic Research Needs for Electrical Energy Storage Report
Catalysis for Energy
As the domestic reserves of petroleum and natural gas decline, the volumes of imported fuels grow, and the environmental impacts resulting from fossil fuel combustion become severe, our nation must earnestly reassess our future chemical energy sources. Catalysis—the essential technology for accelerating and directing chemical transformation—is key to realizing environmentally friendly, efficient and economical processes for the conversion of fossil and renewable or alternative energy feedstocks.
The workshop examined basic research needs to maximize the potential for new catalytic discoveries in three specific areas according to source: bio-derived chemicals, heavy fossil-derived chemicals, and end-product (such as carbon dioxide and water) reconversion. The grand challenge identified at the core of all of these areas was to achievedetailed mechanistic understanding of catalytic dynamics for complex heavy molecular mixtures, bio-derived species, and solid nanostructures and interfaces. Such understanding would allow scientists to build effective catalysts with atom-by-atom precision and convert complex reactants to energy-storing products with molecular precision. The means to resolve this challenge is several-fold: creating new and expanding existing fundamental theories of chemical kinetics that effectively take into account the dynamics and statistical fluctuations of structurally complex and diverse feedstocks; creating and advancing instrumentation that permit real-time high-resolution chemical imaging of reacting species and catalysts; synthesizing new and more complex catalyst structures that exploit multifunctionality and versatility in order to guide reactions through highly selective pathways.
BES Basic Research Needs in Catalysis for Energy Applications
Materials under Extreme Environments
Materials are recognized as being central to every energy technology, and future energy technologies will place increasing demands on materials performance with respect to extremes in stress, strain, temperature, pressure, chemical reactivity, photon or radiation flux, and electric or magnetic fields. Hence, it is not surprising that the failure of materials is a principal bottleneck for developing future energy technologies. New fundamental research of materials under extreme conditions will have a major impact on the development of numerous integrated technologies that can meet future requirements for abundant, affordable, and clean energy.
Reaching the intrinsic limit of materials performance is a key challenge, and solutions to this challenge require new understanding regarding the most fundamental atomic and molecular origins of material failure. In particular, ultra-high spatial and ultrafast temporal resolution characterization tools are needed to observe and follow the initiation and evolution of atomic-scale to cascading macroscale damage events. Complementary advanced computational capabilities to simulate and predict multiscale damage from atomic to macroscopic dimensions are also needed. Such new understanding of damage and failure will underpin research to discover how atomic and molecular structures could be manipulated in a predicable manner to enable development of new materials having an extraordinary tolerance to function within an extreme environment without property degradation, or even with the ability for self-repair.
BES Basic Research Needs for Materials under Extreme Environments Report
Research for a Secure Energy Future
Supply, Carbon Management, Distribution, Consumption
Decision Science and Complex Systems Science
Electricity Production & Grid
Oil shale, tar sands, hydrates,…
Global Climate Change Science
Crosscutting – catalysis
Crosscutting – materials under extreme conditions
BRN Workshops Address Many Elements Required for a Decades-to-Century Energy Security Strategy
Carbon Energy Sources
No-net-carbon Energy Sources
Energy Conservation, Energy Efficiency, and Environmental Stewardship
Topical Grand Challenges- From the BRN Workshops
Together, these workshop reports highlighted the remarkable scientific journey that has taken place during the past few decades. The resulting scientific challenges, which no longer were discussed in terms of traditional scientific disciplines, described a new era of science – an era in which materials functionalities are designed to specifications and chemical transformations are manipulated at will.
BESAC Grand Challenge Subcommittee Report
Synchrotron Light Sources help the research community extend basic knowledge and advance technology development. DOE synchrotron radiation light sources epitomize the contributions of our Nation's government research facilities, both to our understanding of fundamental science and to the technological foundations of U.S. industry.
Advanced Light Source (ALS) at LBNL
Advanced Photon Source (APS) at ANL
National Synchrotron Light Source (NSLS) at BNL
Stanford Synchrotron Radiation Laboratory (SSRL) at SLAC
Neutron Sources provide a unique probe for application in many fields of science and technology. Virtually everything we know about the fundamental structure of magnetic materials—which lie at the heart of today’s motors and generators, telecommunications, and video and audio technologies—has been learned through neutron scattering. Among other applications are biomolecular structure, polymer science, high-temperature superconductivity, the structure and dynamics of solids and liquids, and the engineering properties of structural materials.
High Flux Isotope Reactor (HFIR) at ORNL
Manuel Lujan Jr. Neutron Scattering Center (LANSCE) at LANL
Spallation Neutron Source (SNS) at ORNL
The DOE Nanoscale Science Research Centers (NSRCs) are designed to be the Nation’s premier user centers for interdisciplinary research at the nanoscale, serving as the basis for a national program that encompasses new science, new tools, and new computing capabilities. Each NSRC is housed in a new laboratory building near one or more other DOE scientific user facilities.
Center for Functional Nanomaterials (CFN) at BNL
Center for Integrated Nanotechnologies (CINT) at SNL and LANL
Center for Nanophase Materials Sciences (CNMS) at ORNL
Center for Nanoscale Materials (CNM) at ANL
Molecular Foundry (Foundry) at LBNL
Driving Transformational Science and U.S. Innovation
Next Generation Tools
Linac Coherent Light Source: a revolutionary x-ray free electron laser that will allow probing of chemical and biological structures and examination of chemical reactions in real time at the single molecule level
National Synchrotron Light Source-II: a state-of-the-art light source for x-ray imaging, capable of nanometer resolution of structures and features of individual atoms, molecules, and crystals
Major Items of Equipment:
The instrument project for the Linac Coherent Light Source Ultrafast Science Instrumentation (LUSI) will be a suite of four x-ray instruments for exploiting the unique scientific capability of the Linac Coherent Light Source (LCLS). Two of these instruments will be optimized for hard x-ray studies of ultrafast dynamics at the atomic level, addressing basic problems in chemistry and materials science. A third instrument will concentrate on hard x-ray coherent imaging of nano-particles and large biomolecules. The fourth instrument will give LCLS the capability of using soft x-rays to study magnetic structures and surface chemistry.
Spallation Neutron Source Instrumentation II (SING II) is a Major Item of Equipment project to install four instruments at the Spallation Neutron Source (SNS). The instrument concepts for the project were competitively selected using a peer review process, and the instruments will be installed at the SNS on a phased schedule beginning in about FY 2012. The SING II instruments are in addition to the five instruments to be provided by the SING I MIE.
Driving Transformational Science and U.S. Innovation
- continued -
BES Budget Requests & Appropriations
Research (~$100M devoted to EFRCs)
Facility related research
(Accelerator & Detector, E-beams)
LCLS + linac operations + instruments
Summary of FY09 BES Budget Increases
Energy Frontier Research Center Program
Energy Frontier Research Centers are based on the scientific knowledge base of energy-relevant research that has been articulated through the series of twelve workshop reports, and have the following distinguishing attributes:
Energy Frontier Research Center Program
- continued -
Grand Challenges Discovery and Use-Inspired Basic Research How nature works Materials properties and functionalities by design
BESAC & BES Basic Research Needs Workshops
BESAC Grand Challenges Panel
DOE Technology Office/Industry Roadmaps
BES Energy Frontier Research Centers
Tackling our Energy Challenges in a New Era of Science
Next Step: Charge to BESAC
Following the completion of the 10 Basic Research Needs (BRNs) workshop reports by BES in the past five years and the recent Grand Challenges study under the auspices of BESAC, BESAC is now charged to conduct a study to tie together the aforementioned reports.
This study has two primary goals: (1) to assimilate the scientific research directions that emerged from these workshop reports into a comprehensive set of science themes; and (2) to identify the new tools required to accomplish the science. Included in this should be the consideration of future light sources with technical characteristics that will address the science questions posed by these BESAC and BES studies. This is predicated by the fact that the coherent interaction between light and matter lies at the heart of quantum control, which is one of the central themes of these reports and defines the new science frontier of the 21st Century. Furthermore, the development of the next generation of light sources not only fulfills the Department’s core missions, it is also part of our unique contribution to the Nation’s scientific strength.
BESAC Membership for the 2008-2009 Term
Chair: John Hemminger, U. of California, Irvine
Vice Chair: Martin Moskovits, U. of California, Santa Barbara
Simon Bare, UOP LLC
Nora Berrah, Western Michigan U.
Sylvia Ceyer, Massachusetts Inst of Tech.
Sue Clark, Washington State University
Peter Cummings, Vanderbilt University
Frank DiSalvo, Cornell University
Mostafa El-Sayed, Georgia Institute of Tech.
George Flynn, Columbia U.
Bruce Gates, University of California, Davis
Laura Greene, U. of Illinois
Sharon Hammes-Schiffer, Penn. State Univ.
John Hemminger, U.of Calif., Irvine
Michael Hochella, Virginia Tech.
Eric Isaacs, Argonne National Lab.
Bruce Kay, Pacific Northwest National Lab.
Kate Kirby, Harvard-Smithsonian Center
William McCurdy, Lawrence Berkeley National Lab.
Daniel Morse, U. of Calif., Santa Barbara
Martin Moskovits, U. of Calif., Santa Barbara
Kathryn Nagy, University of Illinois, Chicago
John Richards, California Institute of Tech.
John Spence, Arizona State University
Kathleen Taylor, General Motors (retired)
Douglas Tobias, University of California, Irvine
John Tranquada, Brookhaven National Lab.
New members indicated in red.
Simon Bare, UOP LLC
B.Sc. Chemistry, University of Liverpool (1979)
Ph.D. Chemistry, University of Liverpool (1982)
Postdoc, Cornell University (1979-1982)
Postdoc, Lawrence Berkeley National Laboratory (1982-1984)
Dow Chemical Co. (1985-1995)
Senior Research and Development Associate in Materials Characterization, UOP LLC (1996-present)
Characterization of heterogeneous catalysis materials with an emphasis on x-ray based in situ methods to determine precise molecular structures of the active phase. Main expertise in x-ray absorption spectroscopy, x-ray photoemission, and other surface characterization techniques. Well known for the application of synchrotron-based methods to problems of industrial interest.
Uniform Catalytic Site in Sn-β-Zeolite Determined Using X-ray Absorption Fine Structure
Bare, Kelly, Sinkler, Low, Modica, and Valencia, J. Am. Chem. Soc.127, 12924 (2005).
Sharon Hammes-Schiffer, Pennsylvania State University
B.A., Chemistry, Princeton University (1988)
Ph.D., Chemistry, Stanford University (1993)
Postdoctoral research scientist, AT&T Bell Laboratories (1993-1995)
Clare Boothe Luce Assistant Professor, University of Notre Dame (1995-2000)
Shaffer Associate Professor, Pennsylvania State University (2000-2003)
Professor of Chemistry, Pennsylvania State University (2003-present)
Eberly Professor of Biotechnology, Pennsylvania State University (2006-present)
Proton and hydride transfer reactions in enzymes Proton-coupled electron transfer reactions Development of mixed quantum/classical molecular dynamics methodology Development of multistate continuum theory Development of the nuclear-electronic orbital (NEO) method
Buffer-Assisted Proton-Coupled Electron Transfer in a Model Rhenium-Tyrosine Complex
Ishikita, Soudackov, and Hammes-Schiffer, J. Am. Chem. Soc. 129, 11146 (2007)
Michael F. Hochella, Jr., Virginia Tech
B.S., Geological Sciences, Virginia Tech (1975)
Ph.D., Earth Sciences, Stanford University (1981)
Senior Scientist, Corning, Inc. (1981-1983)
Senior Research Associate, Stanford University (1983-1989)
Associate Professor (Research), Stanford University (1989-1992)
Associate Professor, Virginia Tech (1992-1996)
Professor, Virginia Tech (1996-2007)
University Distinguished Professor, Virginia Tech (2007-Present)
Elucidating the roles that nanoscience and mineral surface geochemistry/biogeochemistry play in major aspects of Earth sciences, particularly environmental contamination issues. Applications range from fundamental issues of how bacteria communicate with each other and with the abiotic Earth (e.g. minerals) to figuring out how toxic heavy metals are carried many hundreds of miles away from the contaminant source.
TEM of nanoparticles extracted from Washington, DC tap water.
Wigginton, Haus and Hochella, J. Environ. Monit.9, 1306 (2007).
Bruce Kay, Pacific Northwest National Laboratory
B.S., Chemistry, University of Illinois, Chicago (1976)
Ph.D., Chemical Physics, University of Colorado (1982)
Member of Technical Staff & Senior Member of Technical Staff, Sandia National Laboratories, NM (1982-1991)
Laboratory Fellow, Pacific Northwest National Laboratory (1991-present)
Affiliate Professor of Physical Chemistry, Univ. of Washington (1997-present)
Affiliate Professor of Chemical Engineering, Univ. of Washington (1998- present)
Molecular beam studies of physicochemical phenomena on the surface and in the bulk of Amorphous Solid Water (ASW), Crystalline Ice, Crystalline and Amorphous Materials. Physisorption and chemisorption on metal and oxide surfaces related to catalysis. Synthesis and characterization on nanoporous materials using molecular beams.
Watching water dissociate on a TiO2 surface
Zhang, Bondarchuk, Kay, White, Dohnalek, J. Phys. Chem.B110, 21840 (2006)
Kathryn Nagy, University of Illinois at Chicago
B. Sc., Geology, University of Delaware (1977)
Sc. M., Geological Sciences, Brown University (1981)
Ph.D., Geology, Texas A&M University (1988)
Postdoc, Yale University (1987-1990)
Associate Research Scientist, Yale University (1990-1991)
Senior Research Geologist, Exxon Production Research Co. (1991-1994)
Senior Member of Technical Staff, Sandia National Laboratories (1992-1997)
Associate Professor of Geological Sciences, Univ of Colorado (1997-2002)
Faculty Associate, Argonne National Laboratory (2003-present)
Professor, Earth and Environmental Sciences, Univ of Illinois, Chicago (2002-present)
Hydration and distribution of ions at the mica-water interface
Park, Fenter, Nagy, and Sturchio, Phys. Rev. Lett.97, 016101 (2006).
Douglas J. Tobias, UC Irvine
B.S., Chemistry, UC Riverside (1984)
Ph.D., Chemistry/Biophysics, Carnegie Mellon University (1991)
Postdoc, University of Pennsylvania (1991-1995)
Guest Researcher, Center for Neutron Research, NIST (1995-1997)
Assistant Professor of Chemistry, UC Riverside (1997– 2003)
Associate Professor of Chemistry, UC Riverside (2003-2005)
Professor of Chemistry, UC Riverside (2005-present)
Atomic-scale computer simulation techniques based on classical and quantum mechanics to study the structure and dynamics of biological molecules and biomimetic materials, and aqueous interfaces with air that are important in atmospheric chemical processes. A substantial portion of our work is devoted to the development, implementation, and optimization of novel simulation methodology and analysis tools.
Neutron structure factor for deuterated methanol calculated using molecular dynamics simulations
Thomas, Tobias, and MacKerell, J. of Phys. Chem. B 111, 12941 (2007)
John Tranquada, Brookhaven National Lab
B.A. Physics, Pomona College (1977)
Ph.D. Physics, University of Washington (1983)
Post-doc, NCSU and Brookhaven National Lab (1983-1986)
Assist./Assoc./Physicist, Brookhaven National Lab (1986-2000)
Group Leader for Neutron Scattering, BNL (1998-present)
Senior Physicist, Brookhaven National Lab (2000-present)
Quantum magnetic excitations from stripes in copper oxide superconductors
Tranquada, Woo, Perring, Goka, Gu, Xu, Fujita, and Yamada, Nature429, 534 (2009).
T. Russ, Prog. Asst.
R. Felder, Prog. Asst.
Photo- and Bio-
S. Watson, Prog. Asst.
Scattering & Instrumentation
C. Howard, Prog. Asst.
Condensed Matter and Materials Physics
M. Agnant, Prog. Asst.
Materials Discovery, Design, and Synthesis
Vacant, Prog. Asst.
Office of Basic Energy Sciences
Harriet Kung, Acting Director
Vacant, Administrative Specialist
Richard Burrow, DOE Technical Office Coordination
Don Freeburn, DOE and Stakeholder Interactions
Ken Rivera, Laboratory Infrastructure/ES&H
Karen Talamini, Program Analyst/BESAC
BES Budget and Planning
Robert Astheimer,Technical Advisor
Margie Davis, Budget Analyst
Materials Sciences and
Chemical Sciences, Geosciences,
and Biosciences Division
Scientific User Facilities Division
Aravinda Kini, Acting Director
Christie Ashton, Program Analyst
Charnice Waters, Secretary
Pedro Montano, Director
Linda Cerrone, Program Analyst
Eric Rohlfing, Director
Diane Marceau, Program Analyst
Michaelene Kyler-King, Program Assistant
Exp. Cond. Mat. Phys.
D. Finnemore, Ames
James McBreen, BNL
X-ray and Neutron Scattering Facilities
Atomic, Molecular, and Optical Sciences
Michael Chen, ANL
Theo. Cond. Mat. Phys.
James Davenport, BNL
Kim Ferris, PNNL
Heavy Element Chemistry
Norman Edelstein, LBNL
Nanoscience Centers &
Altaf (Tof) Carim
Gas-Phase Chemical Physics
Synthesis and Processing Tim Fitzsimmons
Daniel Friedman, NREL
Separations and Analysis
Larry Rahn, SNL
Electron and Scanning Probe Microscopies
Accelerator and Detector R&D
Spallation Neutron Source Upgrades
Condensed-phase and Interfacial Mol. Sci.
Robert Stack, PNNL
Tech. Coordination Program Management
Facility Coordination, Metrics, Assessment
Ultrafast Science and Instrumentation
Computational and Theoretical Chemistry
Patrick Dobson, LBNL
and Radiation Effects
Technology Office Coordination
Exp. Program to Stimulate Competitive Research
Helen Farrell, INL
(SING, LUSI, etc.)
Detailee, 1/2 time, not at HQ
Detailee, 1/4 time, not at HQ
ALS User Support Bldg