Frontiers of Science at the Intersection of Physical and Life Sciences

First Committee MeetingKeck Center of the National Academies

Washington, DCSeptember 14, 2007September 14, 2007

DOEDOE--BES PerspectivesBES Perspectives

Arvind KiniMaterials Sciences and Engineering DivisionMaterials Sciences and Engineering Division

Office of Basic Energy SciencesOffice of Basic Energy Sciencesa.kini@science.doe.gov

BASIC ENERGY SCIENCESBASIC ENERGY SCIENCESServing the Present, Shaping the FutureServing the Present, Shaping the Future http://http://www.science.doe.gov/beswww.science.doe.gov/bes//

Raymond L. Orbach

The Department of Energy: A Large, Complex, Mission AgencyThe Department of Energy: A Large, Complex, Mission Agency

BES

FY 2008 Request$1.45 B

Physical BiosciencesMichael Kahn, PNNL

Photosynthetic Systems

Photo- and Bio-Chemistry

Richard GreeneVacant, Prog. Asst.

Scattering & Instrumentation

Sciences

Helen KerchC. Howard, Prog. Asst.

Condensed Matter and Materials Physics

Jim HorwitzM. Agnant, Prog. Asst.

Materials Discovery, Design, and Synthesis

Arvind KiniVacant, Prog. Asst.

Chemical Sciences, Geosciences,and Biosciences Division

Eric Rohlfing, DirectorDiane Marceau, Program Analyst

Michaelene Kyler-King, Program Assistant

Harriet Kung, DirectorChristie Ashton, Program Analyst

Ann Lundy, Secretary

Materials Sciences and Engineering Division Scientific User Facilities Division

Pedro Montano, DirectorLinda Cerrone, Program Analyst

Secretary (Vacant)

Operations Construction

X-ray ScatteringLane Wilson

Helen Farrell, INL

Neutron ScatteringLane Wilson

Electron and Scanning Probe Microscopies

Jane Zhu

Ultrafast Science and Instrumentation

Jim Glownia (8/07)

Exp. Cond. Mat. Phys.James Horwitz

D. Finnemore, AmesDaniel Friedman, NREL

Theo. Cond. Mat. Phys.Dale Koelling

Randy Fishman, ORNLJames Davenport, BNL

Physical Behavior of MaterialsRefik Kortan

Mechanical Behaviorand Radiation Effects

John Vetrano

Tech. Coordination Program Management

John Vetrano

Materials ChemistryRichard Kelley

James McBreen, BNL

Biomolecular MaterialsArvind Kini

Synthesis and Processing Science

Tim FitzsimmonsBonnie Gersten

Exp. Program to Stimulate Competitive

ResearchKristin Bennett

Catalysis ScienceRaul MirandaPaul Maupin

Michael Chen, ANL

Heavy Element Chemistry

Lester MorssNorman Edelestein, LBNL

Separations and Analysis

William MillmanLarry Rahn, SNL

GeosciencesNicholas Woodward

Patrick Dobson, LBNLMarsha Bollinger, AAAS

Chemical Transformations

John MillerT. Russ, Prog. Asst.

Solar PhotochemistryMark Spitler, NREL

Atomic, Molecular, and Optical SciencesElliot Kanter, ANL

Condensed-phase and Interfacial Mol. Sci.Gregory Fiechtner

Computational and Theoretical Chemistry

Richard Hildebrandt

Fundamental Interactions

Michael CasassaR. Felder, Prog. Asst.

Spallation Neutron Source Upgrades

Tom Brown

NSLS II Tom Brown

TEAMAltaf (Tof) Carim

Instrument MIEs(SING, LUSI, etc.)

Tom Kiess

ALS User Support BldgTom Brown

Ultrafast Chemical Sciences

Gas-Phase Chemical Physics

Frank Tully, SNL

X-ray and Neutron Scattering Facilities

Roger Klaffky

Nanoscience Centers &E-beam CentersAltaf (Tof) Carim

Accelerator and Detector R&D

Facility Coordination, Metrics, Assessment

Linac CoherentLight SourceTom Brown

Patricia Dehmer, DirectorMary Jo Martin, Administrative Specialist

Office of Basic Energy SciencesOffice of Basic Energy SciencesBES Budget and Planning

Robert Astheimer, Technical AdvisorMargie Davis, Budget Analyst

BES OperationsLinda Blevins, International/IntergovernmentalRichard Burrow, DOE Technical Office CoordinationDon Freeburn, DOE and Stakeholder InteractionsKen Rivera, Laboratory Infrastructure/ES&HKaren Talamini, Program Analyst/BESAC

$311 M Materials Core Research

$254 M CSGB Core Research

$706 M Facilities Operations $160 M New Constructions$18 M Facilities Research

All funding levels based on FY2008 President’s Requests

Our Mission:

• Foster and support fundamental research program fundamental research program to expand the scientific foundation for new and improved energy technologies and for understanding and mitigating the environmental impacts of energy use

• Plan, construct, and operate major scientific user facilitiesmajor scientific user facilities for “materials sciences and related disciplines” to serve researchers at universities, federal laboratories, and industrial laboratories

Office of Basic Energy SciencesOffice of Basic Energy Sciences

Our Energy Future Depends on Atomic, Molecular, and Our Energy Future Depends on Atomic, Molecular, and NanoscaleNanoscale Level Level Control of Matter and ProcessesControl of Matter and Processes

Scientific Innovations Leading to Economic Competitiveness and Energy Security

Solid-state lighting and applications of quantum confinement

Bio-inspired nanoscale assemblies –Designer catalysts

Self-repairing and defect-tolerant systems

Mn

Mn MnMn

O

OO

O

OOMn

MnMn

MnO

O OO

2H2O 4H+ + 4e-

photosystem II

Reliable, high-capacity electric grid: High Tc

superconductors

Ru

Pt

Atomic scale control of catalytic reactions for energy technologies

Organic and quantum dot-based PV cells

Nanocomposites for extreme environments

Layer Thickness (nm)

Helium bubbles

5 nm

No Helium bubbles

2.5 nm Cu-Nbmultilayer

10 µm grain Cu metel

Technology Maturation& Deployment

Relationship Between the Science and the Technology Offices in DRelationship Between the Science and the Technology Offices in DOEOE

Applied Research

Basic research for fundamental new understanding on materials or systems that may be only peripherally connected or even unconnected to today’s problems in energy technologies Development of new tools, techniques, and facilities, including those for advanced modeling and computation

§ Basic research for fundamental new understanding, with the goal of addressing short-term showstoppers on real-world applications in the energy technologies

Discovery Research Use-inspired Basic Research

§ Research with the goal of meeting technical milestones, with emphasis on the development, performance, cost reduction, and durability of materials and components or on efficient processes§ Proof of technology concepts

Office of ScienceOffice of ScienceBESBES

Applied Energy OfficesApplied Energy OfficesEERE, NE, FE, TD, EM, RW, EERE, NE, FE, TD, EM, RW, ……

§ Scale-up research § At-scale demonstration§ Cost reduction§ Prototyping§ Manufacturing R&D§ Deployment support

Goal: new knowledge / understandingMandate: open-endedFocus: phenomenaMetric: knowledge generation

Goal: practical targetsMandate: restricted to targetFocus: performanceMetric: milestone achievement

I. Basic Research -- Mission challenges§ Basic Research Needs for a Secure Energy Future (BESAC)§ Nanoscience Research for Energy Needs (NSTC) § Basic Research Needs for the Hydrogen Economy§ Basic Research Needs for Solar Energy Utilization§ Basic Research Needs for Superconductivity§ Basic Research Needs for Solid State Lighting§ Basic Research Needs for Advanced Nuclear Energy Systems§ Basic Research Needs for Electrical Energy Storage§ Basic Research Needs for Materials Under Extreme Environments§ Basic Research Needs for Catalysis in Energy Applications In Preparation

II. Basic Research -- Discovery Science§ The ultra-small§ The ultra-fast§ Complexity§ Theory, modeling, and simulation

III. Enabling tools – Major scientific user facilities & other special instruments§ Scientific user facilities for the Nation

DOEDOE--BES Program Planning and Investment StrategiesBES Program Planning and Investment Strategies

Reports can be found at: http://www.sc.doe.gov/bes/reports/list.html

§ New materials discovery, design, development, and fabrication, especially materials that perform well under extreme conditions§ Science at the nanoscale, especially low-dimensional systems that

promise materials with new and novel properties§ Methods to “control” photon, electron, ion, and phonon transport in

materials for next-generation energy technologies§ Structure-function relationships in both living and non-living systems§ Designer catalysts§ Interfacial science and designer membranes§ Bio-materials and bio-interfaces, especially at the nanoscale where soft

matter and hard matter can be joined§ New tools for:§ Spatial characterization, especially at the atomic and nanoscales and

especially for in-situ studies§ Temporal characterization for studying the time evolution of processes§ Theory and computation

Topical Grand Challenges Topical Grand Challenges -- From the Basic Research Needs WorkshopsFrom the Basic Research Needs Workshops

Strategic Theme 1Energy Security

Strategic Theme 2Nuclear Security

Strategic Theme 3Scientific discovery and Innovation

Strategic Theme 4Environmental Responsibility

Strategic Theme 5Management Responsibility

DOE Mission and Strategic Themes

Basic Energy Sciences Advisory Committee (BESAC)Subcommittee on Grand Challenges

Graham Fleming and Mark Ratner—Co-chairs

http://www.sc.doe.gov/bes/BESAC/BESAC.htmDraft report ready and currently being finalized

1. Identify and articulate for the broader scientific community the most important scientific questions and science-driven technical challenges facing the disciplines supported by BES. The challenges should be limited in number to perhaps one dozen and should be described in a manner that is independent of current disciplinary labels and of terms such as “multidisciplinary” or “interdisciplinary.” These challenges should arise from major gaps in our understanding, future discovery potential, and excitement of the quest.

2. Describe the importance of these challenges to advances in disciplinary science, to technology development, and to energy and other societal needs.

3. Describe what might be needed to address these challenges, including the development of theories, instruments, facilities, and computational capabilities and education and workforce development.

4. Connect the challenges with disciplines outside of those supported by BES, as appropriate.

5. Use as resource material previous discussions at BESAC and relevant studies by BESAC, other SC Advisory Committees, the NRC, and other bodies.

6. Suggest follow-on activities, as appropriate.

Charge to BESAC Subcommittee on Grand Challenges

The Necessity of Grand Challenge Science § Properly posed Grand Challenges will provide the scientific foundation for transformative progress in basic energy sciences.§ They will provide necessary instruments and theoretical framework and language for understanding what happens when:

1) we go to the very small2) we go far from equilibrium3) we encounter strongly correlated systems & systems

with emergent properties 4) we want to define the limits of material properties5) we want to manipulate energy and information ever

more rapidly and efficiently6) we want to recreate in synthetic systems properties and

capabilities we find in nature

DOEDOE--BES Program Planning BES Program Planning –– Input from NAS, NRC StudiesInput from NAS, NRC Studies

• National Academy of Sciences– A Decadal Assessment and Outlook for the Field of Condensed Matter and Materials

Physics (Spring 2007)• Review of the field of CMMP; make recommendations on how U.S. research might realize the

full potential of CMMP research.

– Materials Discovery and Crystal Growth (Winter 2007)• An assessment of the status of U.S. capabilities in the discovery of new materials and in crystal

growth

– Biomolecular Materials and Processes (Spring 2008)• An assessment of the compelling science at the interface between biology and materials, and

identification of future research opportunities.

– Frontiers of Science at the Interface of Physical and Life Sciences (Winter 2008)• A more comprehensive assessment of the scientific opportunities at the broader interface

between physical and life sciences• Identification of complex, large-scale problems which, when successfully pursued, will produce

scientific breakthroughs in BOTH.

Some Currently Supported Studies

Charge1. Develop a conceptual framework for new scientific forefronts, 2. Identify and prioritize the most promising research opportunities, articulate the benefits to society,

and recommend strategies for realizing them,3. Explore ways to enable and enhance effective interdisciplinary collaboration.

Expected Outcomes§ A key outcome of the study will be to communicate the intrinsic scientific value of this interface

area to the core disciplinary research communities. For example, key questions in the life sciences also have relevance to basic research in the physical sciences and vice versa.

§ The study will also seek to communicate the excitement of this interface to a broad audience.

A Peer Review Comment

“All the example opportunities discussed in the application (protein folding, biomolecularmachines, signal transduction and mechanics and special structure of the cell) seem to put much of the focus on life sciences. For a balanced final report on the intersection of physical and life sciences, the application (and the study) should also emphasize the benefits to the physical sciences from life sciences.”

Frontiers of Science at the Interface of Physical and Life SciencesCommittee Charge, Outcomes, ExpectationsCommittee Charge, Outcomes, Expectations

Anticipated ImpactAnticipated Impact

§ Basic research for fundamental new understanding on materials or systems that may revolutionize or transform today’s energy technologies § Development of new

tools, techniques, and facilities, including those for advanced modeling and computation

§ Basic research for fundamental new understanding, usually with the goal of addressing showstoppers on real-world applications in the energy technologies

§ Research with the goal of meeting technical milestones, with emphasis on the development, performance, cost reduction, and durability of materials and components or on efficient processes§ Proof of technology

concepts

§ Scale-up research § At-scale demonstration§ Cost reduction§ Prototyping§ Manufacturing R&D§ Deployment support

Technology Maturation& DeploymentApplied ResearchGrand Challenges Discovery Research Use-Inspired Basic Research

Basic research to address fundamental limitations of current theories and descriptions of matter in the energy range important to everyday life – typically energies up to those required to break chemical bonds.Particularly challenging are the failures to understand systems that are ultrasmall or isolated or that display emergent phenomena of many kinds.

BES Basic Research Needs Workshops

BESAC Grand Challenges PanelDOE Technology Office/Industry Roadmaps

Forefronts of Science at the Intersection of the Physical and Life Sciences