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Office of Basic Energy Sciences Patricia M. Dehmer Associate Director of Science for the Office of Basic Energy Sciences Materials Sciences Chemical Sciences Geosciences Biosciences Engineering Sciences Serving the Present, Shaping the Future Office of Science U.S. Department of Energy

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The BES Emblem* The logo shows the orientation distribution function - a map of the most probable locations of the atoms in a solid - of buckminsterfullerene, C60, as determined from neutron powder diffraction studies performed at the ISIS spallation neutron source. This spherical molecule is the prototypic member of the fullerene family, which is the third known major form of the element carbon. Research supported by BES led to the discovery of C60, and the BES program continues to fund a variety of projects involving fullerenes. BES-supported user facilities are routinely used to characterize the fullerenes and their abundant derivatives. A second version (shown at lower right) of the orientation distribution function was determined at the NSLS using x-ray powder diffraction. C60 shown surrounded by C36 molecules -- recently synthesized “stickyballs”. * It’s not a logo.

Office of Basic Energy SciencesMission & Organization Structure: 

Office of Basic Energy Sciences Mission & Organization Structure Materials Sciences Iran Thomas Director Phone: 301-903-3427 Fax: 301-903-9513 E-Mail: iran.thomas@science.doe.gov Chemical Sciences William Millman Acting Director Phone: 301-903-5805 Fax: 301-903-4110 E-Mail: william.millman@science.doe.gov Engineering & Geosciences Iran Thomas Acting Director Phone: 301-903-3427 Fax: 301-903-0271 E-Mail: iran.thomas@science.doe.gov Energy Biosciences Gregory Dilworth Director Phone: 301-903-2873 Fax: 301-903-1003 E-Mail: greg.dilworth@science.doe.gov Robert Astheimer Phone: 301-903-4410 Fax: 301-903-6594 E-Mail: robert.astheimer@science.doe.gov http://www.er.doe.gov/production/bes/bes.html Mission: Foster and support fundamental research to provide the basis for new, improved, environmentally conscientious energy technologies; Plan, construct, and operate major scientific user facilities and advance user communities for researchers at universities, national laboratories, and industrial laboratories.

Office of Basic Energy SciencesA Tradition of Excellence in Fundamental Research: 

Office of Basic Energy Sciences A Tradition of Excellence in Fundamental Research Fundamental Tenets: Excellence in fundamental research Relevance to the Nation’s energy future Stewardship to ensure stable, essential scientific communities, facilities, and institutions Mission: Foster and support fundamental research to provide the basis for new, improved, environmentally conscientious energy technologies; Plan, construct, and operate major scientific user facilities and advance user communities for researchers at universities, national laboratories, and industrial laboratories.

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Excellent fundamental research produces new knowledge and ideas that change the way people think, that endure, and that are widely used by others. Research supported by the BES program is recognized as outstanding by peers and is widely used by other scientific disciplines, by the DOE technology offices, and by industry. “Excellence in Fundamental Research”

BES Program Goals: 

BES Program Goals Maintain U.S. world leadership in areas of the natural sciences and engineering that are relevant to energy resources, production, conversion, and efficiency and to the mitigation of the adverse impacts of energy production and use; Foster and support the discovery, dissemination, and integration of the results of fundamental, innovative research in these areas; Provide world-class scientific user facilities for the Nation; and Act as a steward of human resources, essential scientific disciplines, institutions, and premier scientific user facilities.

Tenets (i.e., Principles)Help Prevent Bad Outcomes: 

Tenets (i.e., Principles) Help Prevent Bad Outcomes Why Balance? The Failure to Maintain Balance “Bad Outcomes” Tenets Excellence in basic research Relevance to the Nation’s energy future Stewardship to ensure stable, essential scientific communities, facilities, and institutions ... and ... Balance through management Loss of intellectual leadership Portfolio stagnation Ivory-tower mentality; failure to impact science or technology Evaluation according to short-term economic impacts Fashion-driven churning of portfolio Mostly mega-science; few small groups Inability to respond quickly to national needs

Energy Policy Act of 1992Public Law 102-486: 

Energy Policy Act of 1992 Public Law 102-486 “Section 2203. Supporting Research and Technical Analysis (a) Basic Energy Sciences (1) Program Direction -- The Secretary shall continue to support a vigorous program of basic energy sciences to provide basic research support for the development of energy technologies. Such program shall focus on the efficient production and use of energy, and the expansion of our knowledge of materials, chemistry, geology, and other related areas of advancing technology development. (2) User Facilities -- (A) As part of the program referred to in paragraph (1), the Secretary shall carry out planning, construction, and operation of user facilities to provide special scientific and research capabilities, including technical expertise and support as appropriate, to serve the research needs of our laboratories, and others.”

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The National Science Foundation (NSF) is an independent agency of the U.S. Government established by the National Science Foundation Act of 1950, as amended, and related legislation 42 U.S.C. 1861 et seq., and was given additional authority by the Science and Engineering Equal Opportunities Act (42 U.S.C. 1885), and Title I of the Education for Economic Security Act (20 U.S.C. 3911 to 3922). The Act established the NSF’s mission: To promote the progress of science; to advance the national health, prosperity, and welfare; and to secure the national defense. National Science Foundation

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Highlights of Research Supported by BES

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Visualizing the nanoworld -- atoms to mesostructures Photon, neutron, electron, and ion scattering “Plan, construct, and operate” major scientific user facilities Developed synchrotrons as major user facilities from electron storage rings (NSLS and SSRL) Developed insertion devices (wigglers and undulators) that form the basis of the third generation synchrotrons (ALS and APS) Developed research reactors (HFBR and HFIR) and spallation sources (IPNS, LANSCE, and SNS) as high-flux neutron sources Established electron-beam microcharacterization national user centers Construct major user facilities -- commissioned ALS and APS and initiated construction of SNS in the 1990s Operate 17 facilities for photon, neutron, electron, and heavy particle scattering -- the largest collection of such facilities operated by a single organization in the world Innovative techniques for spectroscopy, scattering, imaging At the synchrotron light sources -- discovered/developed magnetic x-ray scattering; multiwavelength anomalous diffraction (MAD) phasing, now used extensively for protein crystallography; extended x-ray absorption fine structure (EXAFS) and near-edge x-ray absorption fine structure (NEXAFS); microbeam diffraction; x-ray microscopy; photoelectron spectroscopy and holography; inelastic x-ray scattering using nuclear resonances for materials characterization; ... At the neutron sources -- developed spectrometers (high-resolution triple axis, powder diffraction, small angle neutron scattering, reflectometry) to measure structure and excitations and to characterize materials for reactor research; developed time-of-flight spectrometers for spallation sources Currently developing “better than best-in-class” spectrometers for SNS Interactions of photons, neutrons, electrons, and ions with matter Discovered and developed neutron diffraction -- elastic and inelastic neutron scattering -- used for the determination of crystalline structure and excitations and for magnetic structure and excitations in all kinds of materials (1994 Nobel Prize in Physics, Cliff Shull) Continuously supported the “who’s who” in the atomic/molecular physics community to understand the fundamental physics of particle-matter interactions, ultimately leading to new understanding, new techniques, new instrumentation R&D for the next generation of facilities Supported the R&D for current synchrotron, neutron, and electron scattering facilities Currently supporting a nationwide effort to develop 4th generation light sources -- coherent, x-ray Free Electron Lasers and tabletop lasers Programmatic research at the facilities Currently supporting research in a wide variety of disciplines including materials characterization, processing, and design; chemical kinetics, reaction dynamics, and reaction diagnostics; the molecular basis of geochemistry and environmental chemistry; materials under extremes of temperature and pressure for geophysical and earth sciences; ...

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Condensed matter and materials physics DOE is materials sciences Discovery Antiferromagnetism using neutron scattering Giant and colossal magnetoresistive (GMR and CMR) materials Charge stripes separated by antiferromagnetic stripes in high temperature superconductors “Vortex matter” in high temperature superconductors Fundamental understanding The major support for fundamental research in high temperature superconductivity since its discovery Verification of the Nobel prize-winning BCS theory of low temperature superconductivity Radiation induced failure via computational modeling Spin dynamics to understand magnetic performance in demanding applications Why stainless steels is stainless The dependency of microstructure on thermal gradients and cooling rates during welding -- and in doing so, changed welding from an art to a science Computational models of materials joining, now used by industry for intelligent materials processing Better, faster, cheaper Combinatorial chemistry for optimization of materials properties Nickel surfaces with twice the hardness of steel Diamond-like boron nitride films with hardness and low reactivity that could revolutionize the tool industry Tenfold increase in the electrical conductivity of gallium arsenide semiconductors Economical fabrication of high-strength, heat-resistant nickel aluminide Cheaper, stronger permanent magnets twice as powerful as iron in tiny nanophase dimensioned particles New family of bulk ferromagnetic metallic glasses that may improve the energy efficiency of motors and transformers New fabrication route for gallium nitride semiconductors -- because of their increased brightness, extended lifetimes, and reduced energy consumption, they are replacing conventional lighting Rapid, efficient self-assembly process for nanophase composites to produce a strong and crack resistant material Tough, fracture resistant structural ceramics Nanostructured ceramics with tailored nanoscale pore sizes and pore chemistry Nanoscale ropes that can conduct electricity 50-100 times better than copper Non-hazardous, environmentally benign production of the world’s lightest solids and best thermal insulators.

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Better, faster, cheaper (con’t.) Discovered a process to grow a crystalline oxide on silicon that will enable the semiconductor and computer industries to continue improvements as projected by Moore's Law Film growth methods that yield compositions and microstructures having properties for applications requiring wear and corrosion resistance, specific optical properties, or diffusion barriers Nanophase molecular template method to synthesize films with ultra-low dielectric constants for the next generation of microelectronic devices and computers Advanced photonic band-gap materials, which offer great promise for the development of antennas, resonant filters, and detectors or optical signal systems. Ion implantation techniques to dope semiconductors for use as electronic switches and to modify surfaces for increased hardness and chemical resistance Characterization High resolution scanning transmission electron microscope capable of both atomic resolution and chemical element identification -- (a sub-Angstrom resolution microscope is now under development) Three-dimensional, energy-compensated, position-sensitive atom microprobe Development High-temperature superconducting quantum interference devices (SQUIDs) with great sensitivity, which led to the development of a zero field magnetic resonance imaging (MRI) device Novel process to join superconducting ceramics without throttling the flow of supercurrent Electronic theory of atomic interactions between near-neighbor atoms in alloys World record solar photovoltaic efficiency of 30% using a multilevel, gallium indium phosphide/gallium arsenide photovoltaic solar cell -- this design is already being used in satellites Magnetic refrigeration that eliminates ozone depleting refrigerants while performing with better efficiency Thermoacoustic refrigeration -- development of cryocoolers, a Stirling cycle thermoacoustic refrigerator, and a thermoacoustic natural gas-fired natural gas liquefier Computer code for analysis of x-ray absorption (EXAFS) data -- used on desktop PCs throughout the world Service to the community The Materials Preparation Center at Ames, Iowa provides unique, carefully controlled materials specimens for advanced research Isolated rare earth metals for the Manhattan Project; for phosphors; and for cheaper, stronger permanent magnets Condensed matter and materials physics DOE is materials sciences

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Chemical sciences Discovered chemical elements heavier than plutonium through the nation’s only heavy element program Conceived of host-guest complexation, changing the way we think about processes for separation and sequestration of chemical species (1987 Nobel Prize in Chemistry, Donald Cram) Investigated the intermediate reactions in photosynthesis (1961 Nobel Prize in Chemistry, Calvin) Pioneered "crossed-molecular beam" experiments, which showed how two molecules undergoing a chemical reaction collide, combine, and transform into products (1986 Nobel Prize in Chemistry, Yuan T. Lee) Determined the destructive potential of chlorofluorocarbons (Freons) on stratospheric ozone (1995 Nobel Prize in Chemistry, Sherwood Rowland, Mario Molina) Produced and characterized C60, buckminsterfullerene, opening the field of fullerene/nanoscience research (1996 Nobel Prize in Chemistry, Richard Smalley & Robert Curl) Electron transfer reaction research in metal complexes led, in part, to receipt of the 1983 Nobel Prize in Chemistry by Taube. Further, an “inverted region” theoretically predicted by Marcus was confirmed experimentally at Argonne for which Marcus received the 1992 Nobel Prize in Chemistry Discovered that the noble gases such as xenon could form stable compounds, thus changing hundreds of years of accepted knowledge about the inert nature of these gases and our understanding of the periodic table Synthesized 18F, a positron emitter which was a prerequisite to PET (Positron Emission Tomography) scan technology Developed the inductively-coupled plasma as an excitation source for optical emission spectroscopy and as an ionization source for mass spectrometry, now widely used commercially Provided the basis for today’s commercial lithium and lithium ion primary and rechargeable batteries through fundamental research in non-aqueous solutions from which reactive metals could be electrolytically deposited

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Plant and microbial sciences Determined the mechanism of formation of adenosine triphosphate, ATP, the carrier of energy in all living organisms -- bacteria, fungi, plants, and animals (1997 Nobel Prize in Chemistry, Paul Boyer) Developed the recombinant DNA cloning vector, M13, which revolutionized the field of DNA sequencing. Dr. Joachim Messing was the world's most cited scientist in the previous decade. Developed the plant, Arabidopsis, as the experimental "model plant" system and participate in the international effort to completely sequence the genome of Arabidopsis in the year 2000 Developed technologies for plant genetic transformation. The first multigene transfer resulted in a plant that made significant amounts of a biodegradable thermoplastic Determined the biosynthetic pathway, receptor molecule, and part of the signal transduction pathway for the plant growth hormone, ethylene; determined the ethylene-controlled mechanism for the unusual growth of deep water rice, the major food source for 100 million people Provided the first assignment of a known biochemical function for a specific plant pathogen defense gene Discovered similarities among plant resistance genes revealed common mechanisms used by plants to resist a wide range of unrelated pathogens Identified the function of a chaperonin -- a protein found in bacteria, yeast, plants, and animals -- that not only helps newly made proteins fold up into the right shape but also helps assemble different proteins into larger complexes Demonstrated that a plant blue-light photoreceptor not only influences plant growth and development but plays a broader role in helping plants sense light-dark cycles -- the corresponding mammalian protein is essential for maintaining a proper day-night rhythm, the disruption of which causes jetlag and insomnia Utilized recombinant DNA technology to interconvert enzymatic activity between two plant proteins that control the melting response of fatty acids to heat

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Geosciences program Developed 3-D imaging algorithms to generate faster, sharper images of subsurface rocks and fluids than could be obtained by stacking 2-D slices Developed synchrotron computed tomography and laser confocal microscopy to determine three-dimensional pore structures and connectivities of rocks and soils Developed spatially and temporally resolved synchrotron-based spectroscopy for investigating mineral-fluid interactions and contaminant sorption onto mineral surfaces Developed high-resolution mass spectrometry for dating “young rocks” -- instrumental in proving the plate-tectonic hypothesis Developed multicollector inductively coupled plasma mass-spectrometry for measuring high-resolution heavy element isotope contents to document chemical exchanges among rocks and fluids Developed an experimental/theoretical model explaining brittle rock behavior Developed theory for porous and fractured rock enabling accurate prediction of flow and transport properties in geological formations Provided geochemical techniques that support a dynamic fluid injection model for oil reservoirs, such that many reservoirs can be considered “renewable” resources replenished from deeper resources Developed non-imaging optics -- now used in automobile taillights, solar energy collectors, and displays Developed computer algorithms and codes for increased efficiency of chemical processing plants. These computer codes are used by several companies, including Dow, Kellog, Dupont, Goodrich, and Bayer, and the work has led to a company that now has 1,100 employees. Developed major improvements in the control and processing of gas-metal arc welding, which have been adopted by major industries such as John Deere, Ford, GM, and Chrysler Developed a fast method for finding global minimum -- winner of a 1998 R&D 100 Award Engineering program

FY1999 & FY2000 Program Priorities: 

Spallation Neutron Source A research program in “complex systems” -- Conveying the excitement and the promise of the frontiers of science FY1999 & FY2000 Program Priorities Maintain the breadth and depth of the BES portfolio Expand scientific programs & continue beamline construction at ALS, APS, NSLS, SSRL and at HFIR, LANSCE R&D for novel, coherent (“4th generation”) x-ray light sources SSRL SPEAR 3 upgrade Scientific simulation and modeling NSLS upgrades Improvements to electron beam microcharacterization centers Centers of excellence, e.g., for areas in “complex systems” research, for nanoscience, for combinatorial materials science and technology, ...

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Collective Phenomena: Can we achieve an understanding of collective phenomena to create materials with useful properties? Materials by Design: Can we design materials upon demand having predictable properties? Functional Systems: Can we construct molecular devices and machines? Nature’s Mastery: Can we harness and control the exquisite complexity of nature to create new materials that self-assemble, self-repair, respond to their environment, and perhaps even evolve? New Tools: Can we develop the instruments and the theory to help us probe the world of complexity? Complex Systems -- Science for the 21st Century

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Program Planning & Coordination Program direction/initiation are influenced by: Input from the scientific community, from the technology offices, and from industry, e.g., via workshops and contractor meetings Basic Energy Sciences Advisory Committee BES Divisional Council Panel Workshops Department and administrative initiatives Legislative direction Program coordination is facilitated by: DOE standing committees Interagency coordinating committees Cofunding and collocation of research About 1/3 of BES laboratory PIs receive funding from a DOE technology office Industrial interactions BES provides only minimal direct funding to industry, but BES researchers have documented over 800 interactions with industrial researchers. BES researchers have been responsible for over 150 CRADAs or more than 10% of all DOE CRADAs. Formal and informal day-to-day contacts among program managers BES program managers have coordination and liaison (now R&D integration) as part of their performance standards. • Solar • Renewables • Energy Efficiency • Fossil • Geothermal • Environment • Defense

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Siting Research at DOE Labs & Universities -- The BES Perspective Labs support most of the Nation’s premier major scientific user facilities and attendant fundamental research activities. Labs support specialized facilities apart from major scientific user facilities that are not typically found at universities (e.g., hot cells) and attendant fundamental research activities (e.g., heavy element chemistry). Research can be sited at labs that may not be “in vogue” in universities (e.g., combustion dynamics, basic research in coal chemistry,...). Research at the labs can be collocated and cofunded with that of the technology offices. Research at the labs can be longer term than that of a typical Ph.D. thesis and can involve large interdisciplinary teams. Labs are often home to outstanding individual investigators who may be funded in the same mode as university investigators if circumstances warrant. Universities provide access to a major scientific talent pool. Universities train the next generation of scientists. Faculty and students work in areas important to the mission of DOE and develop an appreciation for basic research problems associated with this mission agency. Researchers are not captives of the DOE system. Universities provide a perspective -- a dynamic tension -- that often complements that of DOE laboratories. Universities can provide academic (faculty/student) links to the major scientific user facilities and other specialized facilities at the DOE laboratories through, e.g., joint appointments with laboratories. Strengths/Characteristics of Universities Strengths/Characteristics of DOE Laboratories

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Capabilities needed at the laboratories An atmosphere conducive to recruiting and retaining talent - Top research performers at the beginning of their careers - Top research performers at the peak of their careers A culture that encourages and rewards - Excellence in research - Multidisciplinary/interdisciplinary research and R&D integration - Intralaboratory collaborations - University and industrial collaborations Stability and continuity in research programs Infrastructure necessary to maintain the facilities and the research programs Affordable FTEs The scientific user facilities Plans for major new national scientific user facilities should occur now. Constant or declining budgets jeopardize optimum use of the facilities. Issues Related to the DOE Laboratories

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7/22/99

Office of Basic Energy SciencesA Tradition of Excellence in Fundamental Research: 

Office of Basic Energy Sciences A Tradition of Excellence in Fundamental Research 1,400 Peer-Reviewed Research Projects 200 Research Institutions 18 National User Facilities