BASIC ENERGY SCIENCES Serving the Present, Shaping the Future

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BASIC ENERGY SCIENCES -- Serving the Present,
Shaping the Future
Basic Energy Sciences in DOEs Office of Science
Patricia M. Dehmer Director, Basic Energy
Sciences 17 June 2003
http//www.sc.doe.gov/bes/
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BASIC ENERGY SCIENCES -- Serving the Present,
Shaping the Future

• BES from 35,000 feet
• Recent (February 2003) seminal reports fromthe
  Basic Energy Sciences Advisory Committee
• Basic Research Needs to Assure a Secure Energy
  Future
• A 20-year Roadmap for BES Scientific User
  Facilities
• Whats hot?

http//www.sc.doe.gov/bes/
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Department of Energy Organization
EM
DP
EE/RE
NN
FE
SC
NE
RW
You are here
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DOEs Office of Science
Director Raymond Orbach Principal Deputy
Director James Decker Deputy Director for
Operations Milton Johnson
You are here
Office of Advanced Scientific Computing
Res. Associate Director C. Edward Oliver
Office of Basic Energy Sciences Associate
Director Patricia Dehmer
Office of Biological and Environmental
Res Associate Director Aristides Patrinos
Office of Fusion Energy Sciences Associate
Director N. Anne Davies
Office of High Energy and Nuclear
Physics Associate Director S. Peter Rosen
to foster and support fundamental research to
expand the scientific foundations for new and
improved, environmentally conscientious energy
technologies to plan, construct, and operate
major scientific user facilities for the Nation
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SCs Basic Energy Sciences Program
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• is one of the Nation's largest sponsors of
  basic research
• supports research in more than 150 academic
  institutions and 13 DOE laboratories
• supports world-class scientific user
  facilities and
• is uniquely responsible in the Federal
  government for supporting fundamental research in
  materials sciences, chemistry, geosciences, and
  aspects of biosciences related to energy
  resources, production, conversion, efficiency,
  and use.

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BES Where Does the 1 Billion Go?
SBIR/STTR
GPP/GPE
FACILITY OPERATIONSCS,G,B (Combustion Research
Facility)
CONSTRUCTION Scientific User Facilities(the
Spallation Neutron Source, 5 Nanoscale Science
Research Centers, and the Linac Coherent Light
Source)
RESEARCHChemical Sciences, Geosciences,
Biosciences
RESEARCHMaterials Sciences and Engineering
FACILITY OPERATIONSMaterials Sciences
Eng.(X-ray and Neutron Scattering Facilities)
1 Billion
2002 Appropriation
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Nobel Prizes during the Past 20 Years
1983 Chemistry Henry Taube, Stanford University,
for "his work on the mechanisms of electron
transfer reactions, especially in metal
complexes 1986 Chemistry Yuan Tseh Lee, UC
Berkeley, for "dynamics of chemical elementary
processes 1987 Chemistry Donald J. Cram, UC Los
Angeles, for "development of molecules with
structurally specific interaction of high
specificity" 1994 Physics Clifford G. Shull
(MIT) for pioneering contributions to the
development of neutron scattering techniques for
studies of condensed matter 1995
Chemistry Frank Sherwood Rowland (UC, Irvine) for
work in atmospheric chemistry, particularly
concerning the formation and decomposition of
ozone 1996 Chemistry Richard E. Smalley and
Robert Curl (Rice U) for collaborative discovery
that carbon could occur in a uniquely beautiful
and satisfying structure that engendered an
entirely new branch of chemistry 1997
Chemistry Paul D. Boyer (UC, Los Angeles) for
elucidation of the enzymatic mechanism
underlying the synthesis of adenosine
triphosophate (ATP) 2003 Physics Raymond Davis
(U.Penn) for pioneering contributions to
astrophysics, in particular for the detection of
cosmic neutrinos(Supported at BNL by the
predecessors of BES Chemistry from 1948 to mid
1970s when the program was transferred to SCs
Nuclear Physics Program.)
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Materials Sciences and Engineering Research

• Catalysis
• Ceramics
• Condensed matter physics
• Corrosion
• Intermetallic alloys
• Magnetism and magnetic materials
• Materials chemistry
• Mechanical and physical behavior
• Metallic glasses
• Metallurgy, metal forming, welding joining
• Fluid dynamics
• Nanotechnology and nanoengineering
• Neutron and photon scattering
• Nondestructive evaluation
• Nonlinear dynamic systems
• Photovoltaics
• Polymer science
• Radiation effects
• Structural characterization

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Chemical Sciences, Geosciences, Biosciences
Research

• Chemical Sciences
• Analytical chemistry
• Atomic, molecular optical science
• Advanced batteries fuel cells
• Chemical kinetics
• Catalysis
• Combustion chemistry
• Electrochemistry
• Heavy element chemistry
• Organometallic chemistry
• Photochemistry and solar energy conversion
• Radiation effects
• Separations Science
• Geosciences
• Mineral-fluid geochemistry
• Geophysical imaging
• Biosciences

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Impacts of the Research
Strong, Tough, Creep-Resistant Ceramics
Nuclear-Friendly Materials
Grain boundary films as thin as 1 nm affect
mechanical properties of ceramics. Synthesis of
ABC-SiC 3 aluminum, boron, carbon
crystallizes the grain boundary films.
crystalline grain boundary film
Rechargeable Thin-Film Lithium Batteries
Revolutionary solid electrolyte (lithium
phosphorus oxynitride) is used in rechargeable
batteries that are 1/2 the thickness of plastic
wrap. These batteries are used in medical and
consumer devices, smart credit cards, miniature
hazardous materials monitors, and memory backup
power reservoirs.
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Impacts of the Research
Contents Energy Efficiency
................................ 8 Energy
Resources .............................. 10 Enviro
nmental Technology............... 12 Transportatio
n .......... 14 Manufacturing
... 16 Chemical Processing .........
18 Biotechnology .. 20 Ceramics
............... 22 Metals, Alloys, and
lntermetallics. 26 Polymers .............
...... 28 Semiconductors .....................
30 Superconductors ............
32 Measurement and Analysis... 34 BES User
Facilities ......... 36
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BES Facilities for X-ray and Neutron Scattering
Advanced Photon Source
Advanced Light Source
National Synchrotron Light Source
Intense Pulsed Neutron Source
Stanford Synchrotron Radiation Laboratory
Spallation Neutron Source
High-Flux Isotope Reactor
Manuel Lujan Jr. Neutron Scattering Center
Linac Coherent Light Source
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Number of Light Source Users by Discipline
The number of researchers using the light sources
is expected to reach 11,000 annually when
beamlines are fully instrumented.
User Profile by Discipline of Experiments
100
7,500
7,000
90
6,500
Who funds the light sources? The Basic Energy
Sciences program provides complete support for
the operations of the facilities. Furthermore,
BES continues as the dominant supporter of
research in the physical sciences, providing as
much as 85 of all federal funds for beamlines,
instruments, and PI support. Many other
agencies, industries, and private sponsors
provide support for instrumentation and research
in specialized areas such as protein
crystallography.
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6,000
5,500
70
5,000
60
4,500
4,000
Percent of Users
50
3,500
40
3,000
2,500
30
2,000
20
1,500
Total Number of
1,000
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Users
500
0
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2002
Fiscal Year
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March 2002
The Spallation Neutron Source, Oak Ridge National
Laboratory
01685-2002
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April 2003
March 2002
The Spallation Neutron Source, Oak Ridge National
Laboratory
01685-2002
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01685-2002
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01685-2002
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Program Goals

• Outstanding science
• Science that addresses the mission
• Advanced tools for the Nation
• Workforce development
• Stewardship of DOE-owned research institutions

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DOE Laboratories (SC, DP, NE, FE, EE)
Pacific Northwest National Laboratory
Ames Laboratory
Argonne National Laboratory
Idaho NationalLaboratory
Brookhaven National Laboratory
Fermi National Accelerator Laboratory
National Energy Technology Laboratory
Lawrence Berkeley National Laboratory
Princeton Plasma Physics Laboratory
Stanford Linear Accelerator Center
Thomas Jefferson National Accelerator Facility
Lawrence Livermore National Laboratory
Oak Ridge National Laboratory
Sandia National Laboratories, CA
Los Alamos National Laboratory
Sandia National Laboratories, AL
National Renewable Energy Laboratory
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Basic Research Needs to Assure a Secure Energy
FutureA Basic Energy Sciences Advisory Committee
Study
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Energy Flow Diagram for the U.S., 1999
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Basic Research for a Secure Energy
Future Supply, End Use, and Carbon Management
Global Climate Change Science
Policy
Fossil Carbon Energy Sources
Non-Carbon Energy Sources
Carbon Recycle
CO2 Sequestration
Energy Consumption
Coal
Nuclear Fission
Natural
Transportation
Geologic
Petroleum
Synthetic
Buildings
Terrestrial
Nuclear Fusion
Industrial
Ocean
Natural Gas
Hydrogen
Oil shale, tar sands, hydrates,
Geothermal
Hydroelectric
BES basic research activities address these areas
Solar
Wind
Conservation and Efficiency
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Basic Research Needs to Assure a Secure Energy
Future A Basic Energy Sciences Advisory Committee
Study
The Charge What are the 21st century fundamental
scientific challenges that BES must consider in
addressing the DOE missions in energy efficiency,
renewable energy resources, improved use of
fossil fuels, safe and publicly acceptable
nuclear energy, future energy sources,
science-based stockpile stewardship, and reduced
environmental impacts of energy production and
use?
Dr. John Stringer, EPRI, Chair Dr. Linda Horton,
ORNL, Co-Chair Workshop October 21 25, 2002
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The Product of the BESAC Workshop

• A Factual Document summarizing the status of
  energy supply and use
• An Executive Summary
• A set of 37 Proposed Research Directions (PRDs)
• Supporting statements for each PRD in the form of
  a one-page Executive Summary and three pages of
  detailed information
• A set of 10 General Research Areas derived from
  the 37 PRDs
• Web address http//www.science.doe.gov/bes/BESAC
  /reports.html

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37 Proposed Research Directions

• Fossil Energy
• Reaction Pathways of Inorganic Solid materials
  Synthesis, Reactivity, Stability
• Advanced Subsurface Imaging and Alteration of
  Fluid-Rock Interactions
• Development of an Atomistic Understanding of High
  Temperature Hydrogen Conductors
• Fundamental Combustion Science Towards Predictive
  Modeling of Combustion Technologies
• Nuclear Fission Energy
• Materials Degradation
• Advanced Actinide and Fission Product Separations
  and Extraction
• Fuels Research
• Fundamental Research in Heat Transfer and Fluid
  Flow
• Fusion Energy
• Multiscale Modeling of Microstructural Stability
  of Irradiated Materials
• Deformation and Fracture Modeling
• Plasma-Surface Interactions
• Thermofluids and Smart Liquids
• Plasma Aerodynamics

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• Renewable and Solar Energy
• To Displace Imported Petroleum by Increasing the
  Cost-Competitive Production of Fuels and
  Chemicals from Renewable Biomass by 100-fold
• Develop Methods for Solar Energy Conversion that
  Result in a 10-50 fold Decrease in the Cost to
  Efficiency Ratio for the Production of Fuels and
  Electricity
• Develop the Knowledge Base to Enable Widespread
  Creation of Geothermal Reservoirs
• Conversion of Solar, Wind, or Geothermal Energy
  Into Stored Chemical Fuels
• Advanced Materials for Renewable Energy
  Applications
• Distributed Energy, Fuel Cells, and Hydrogen
• Advanced Hydrogen Synthesis
• High Capacity Hydrogen Storage for Distributed
  Energy of the Future
• Novel Membrane Assemblies (for Ion Transport)
• Designed Interfaces
• Transportation Research
• Integrated Quantitative Knowledge Base for
  Joining of Lightweight Structural Materials for
  Transportation Applications
• Vehicular Energy Storage
• Fundamental Challenges in Fuel Cell Stack
  Materials
• Integrated Heterogeneous Catalysis
• Thermoelectric Materials and Energy Conversion
  Cycles for Mobile Applications

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• Residential, Commercial, and Industrial Energy
• Sensors
• Solid State Lighting
• Innovative Materials for New Energy Technologies
• Multilayer Thin Film Materials and Deposition
  Processes
• Energy Biosciences Research
• Energy Biotechnology Metabolic Engineering of
  Plants and Microbes for Renewable Fuels and
  Chemicals
• Genomic Tools for the Development of Designer
  Energy and Chemical Crops
• Nanoscale Hybrid Assemblies for the Photo-Induced
  Generation of Fuels and Chemicals
• Cross Cutting Research and Education
• Nanomaterials
• Preparing Tomorrows Workforce for the Energy
  Challenge and Heightening the Publics Awareness

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10 Basic Research Directions

• Materials Research to Transcend Energy Barriers
• Research Towards the Hydrogen Economy
• Nuclear Fuel Cycles and Actinide Chemistry
• Energy Storage
• Novel Membrane Assemblies
• Heterogeneous Catalysis
• Energy Conversion
• Energy Utilization Efficiency
• Energy Biosciences
• Geosciences

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Workshop Summary Statements

• There is no single solution to the problem of
  assuring a secure energy future for the U.S.
• Problems that must be addressed are truly
  interdisciplinary. This means that research will
  require the coordinated participation of
  investigators with different skill sets.
• Basic science skills have to be complemented by
  awareness of the overall nature of the problem,
  and with knowledge of the engineering, design,
  and control issues in an eventual solution. It is
  necessary to find ways in which this can be done
  while still preserving the ability to do
  first-class basic science

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The 1st Follow-on WorkshopBasic Research for
Hydrogen Production, Storage, and Use

• Charge Identify fundamental research needs and
  opportunities in hydrogen production, storage,
  and use with a focus on new, emerging and
  scientifically challenging areas that have the
  potential to have significant impact in science
  and technologies.
• Focus on research needs to overcome short-term
  show-stoppers and to address long-term grand
  challenges.
• The most important outcome of this workshop will
  be a balanced picture of both short-term basic
  research needs and long-term grand challenges
  (If not BES, then who?) for hydrogen
  production, storage, and use.

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BES Workshop
MOVING TOWARD A HYDROGEN ECONOMYDOE workshop
brings together scientists to prioritize research
needs for switching to hydrogen MITCH JACOBY,
CEN CHICAGO By allocating 1.2 billion for a
hydrogen research initiative, the Bush
Administration seeks to make the U.S. "much less
dependent on foreign sources of oil" and to
improve air quality, as indicated by the
President in January in his State of the Union
address. The funding proposal received immediate
support from scientists and some members of
Congress. But now the Department of Energy must
prioritize the research requirements needed to
meet the goals set forth in the President's
proposal--goals such as putting hydrogen-powered
automobiles on showroom floors by the end of the
next decade.
MOVING TOWARD A HYDROGEN ECONOMYMITCH JACOBY,
CEN CHICAGO By allocating 1.2 billion for a
hydrogen research initiative, the Bush
Administration seeks to make the U.S. "much less
dependent on foreign sources of oil" and to
improve air quality, as indicated by the
President in January in his State of the Union
address. The funding proposal received immediate
support from scientists and some members of
Congress. But now the Department of Energy must
prioritize the research requirements needed to
meet the goals set forth in the President's
proposal--goals such as putting hydrogen-powered
automobiles on showroom floors by the end of the
next decade. Michelle Buchanan (from
left), Mildred Dresselhaus, and George Crabtree.
PHOTO BY MITCH JACOBY To aid in its task, DOE's
Office of Basic Energy Sciences (BES) convened a
two-and-a-half-day workshop last month in
Rockville, Md., in which a panel of distinguished
scientists and engineers discussed and debated a
host of issues related to developing a "hydrogen
economy." The term refers to an energy system
based on hydrogen as the principal energy medium.
The workshop drew roughly 150 attendees. It was
chaired by Mildred S. Dresselhaus, a professor of
physics and electrical engineering at
Massachusetts Institute of Technology, and
cochaired by Argonne National Laboratory's George
W. Crabtree and Michelle Buchanan of Oak Ridge
National Laboratory.
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Workshop Panel Chairs

• Basic Research Challenges in Hydrogen Production
• Session Chairs Tom Mallouk (Penn State
  University)
• Laurie Mets (University of Chicago)
• Hydrogen Storage and Distribution
• Session Chairs Kathy Taylor (General Motors,
  Retired)
• Puru Jena (Virginia Commonwealth University)
• Fuel Cells and Novel Fuel Cell Materials
• Session Chairs Frank DiSalvo (Cornell
  University)
• Tom Zawodzinski (Case Western Reserve Univ.)

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A 20-year Roadmap for BES Scientific User
Facilities A Basic Energy Sciences Advisory
Committee Study
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BES Scientific User Facilities
Advanced Photon Source
Electron Microscopy Center for Materials Research
Materials Preparation Center
Center for Microanalysis of Materials
Center for Nanoscience
Advanced Light Source
Intense Pulsed Neutron Source
Center for Functional Nanomaterials
National Center for Electron Microscopy
National Synchrotron Light Source
Molecular Foundry
Stanford Synchrotron Radiation Lab
Spallation Neutron Source
Center for Nanophase Materials Sciences
Linac Coherent Light Source
Combustion Research Facility
Shared Research Equipment Program
Los Alamos Neutron Science Center
High-Flux Isotope Reactor
Center for Integrated Nanotechnologies
James R. MacDonald Lab
Pulse Radiolysis Facility

• 4 Synchrotron Radiation Light Sources
• Linac Coherent Light Source (PED)
• 4 High-Flux Neutron Sources (SNS under
  construction)
• 4 Electron Beam Microcharacterization Centers
• 5 Nanoscale Science Research Centers (PED and
  construction)
• 4 Special Purpose Centers

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BES Scientific User Facilities for Materials
Sciences

• Light sources
• Stanford Synchrotron Radiation Laboratory
  SPEAR3 upgrade (SLAC)
• National Synchrotron Light Source (BNL)
• Advanced Light Source (LBNL)
• Advanced Photon Source (ANL)
• Linac Coherent Light Source (SLAC) (Project
  Engineering Design)
• Neutron sources
• Intense Pulsed Neutron Source (ANL)
• Manuel Lujan, Jr. Neutron Scattering Center
  (LANL)
• High Flux Isotope Reactor (ORNL)
• Spallation Neutron Source (ORNL) (Construction)
• Electron beam sources
• Center for Microanalysis of Materials (Illinois)
• Electron Microscopy Center for Materials Research
  (ANL)
• National Center for Electron Microscopy (LBNL)
• Shared Research Equipment Program (ORNL)
• Nanoscale Science Research Centers (all Centers
  are in design or construction)
• Center for Nanophase Materials Sciences (ORNL)
• Molecular Foundry (LBNL)

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Background to the BESAC Study

• Summer 2002 Ray Orbach requests that each
  Associate Director (AD) of the Office of Science
  (SC) develop a 20-year plan for facilities using
  input from Advisory Committees, NRC studies,
  community workshops, etc.
• November 2002 The five SC ADs present a total
  of 53 upgrades and new facilities to Ray Orbach.
• December 2002 Ray Orbach charges each Advisory
  Committee with assessing these plans by March
  2003.
• December 2002 A BESAC Subcommittee is formed in
  response to the charge to BESAC. The
  Subcommittee is co-chaired by Geri Richmond and
  Sunil Sinha.

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B
Basic Energy Sciences Subcommittee for 20-year
Facilities Roadmap February 22-24,
2003 Washington, D.C.
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Highly Rated Recommendations

• Crosscutting Issues
• Light Source Facilities Initiative
• Instrumentation
• Workforce of the future, esp. accelerator
  physicists
• Linac Coherent Light Source
• Transmission Electron Aberration-corrected
  Microscopy
• SNS Power Upgrade and, later, the SNS
  Long-Wavelength Target Station
• And for the longer term NSLS upgrade HFIR
  upgrade 3rd-generation light source upgrades

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The Linac Coherent Light Source (LCLS)
The LCLS is a proposed x-ray free electron laser
(FEL) for FEL physics in the hard x-ray regime
and for studies of structure and function of
chemical, physical, and biological systems. The
main components of the LCLS are a photocathode
RF-gun to create the electron beam, the last 1 km
of the SLAC linac, two bunch compressors, a 100-m
long undulator, x-ray optics, and experimental
stations. Justification of Mission Need (CD-0)
was signed June 13, 2001 Preliminary Baseline
Range (CD-1) approved September 2002 Long-lead
Procurement Baseline (CD-2a) will be approved
June 2003

• Time averaged brightness2-4 orders of magnitude
  greater than 3rd generation sources
• Peak brightness 10 orders of magnitude greater
  than 3rd generation sources
• 230 fs pulses initially shorter to be developed
• Transversely coherent radiation

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Scientific Frontiers Q Whats Hot? A
Three Crosscutting Themes
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The Scale of Things -- Nanometers and More
Things Natural
Things Manmade
Realizing the nanoscale revolution Tailoring
materials one atom at a time
MicroElectroMechanical devices 10 -100 mm wide
Red blood cells
Pollen grain
Zone plate x-ray lensOutermost ring spacing
35 nm
Atoms of silicon spacing tenths of nm
Office of Basic Energy Sciences Office of
Science, U.S. DOE Version 03-05-02
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The Five DOE Nanoscale Science Research Centers
Argonne National Laboratory
Brookhaven National Laboratory
Center for Nanoscale Materials
Center for Functional Materials
Lawrence Berkeley National Laboratory
Molecular Foundry
Center for Nanophase Materials Sciences
Sandia National Laboratories Los Alamos
National Laboratory
Oak Ridge National Laboratory
Center for Integrated Nanotechnologies
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Renaissance Hotel Washington, D.C. February
27-28, 2003 Presentations by Congresswoman Judy
Biggert Ray Orbach, Director, DOE Office of
Science John Marburger, Director, White House
Office of Science and Technology PolicyGeorge
Whitesides, Harvard UniversityRichard Smalley,
Rice UniversityGabor Somorjai, University of
California at Berkeley and Berkeley LabPaul
Alivisatos, University of California at Berkeley
and Berkeley Lab All of the DOE Nanoscale
Science Research Directors and many more All
workshop presentations are downloadable
at http//www.ornl.gov/doe_nsrc_workshop/
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Complex systems Understanding collective,
cooperative, and adaptive phenomena and emergent
behavior
High-temperature superconductivity

• Interactions among individual components can lead
  to coherent behavior that can be described only
  at higher levels than those of the individual
  units. This can produce remarkably complex and
  yet organized behavior.
• Electrons interacting with each other and the
  host lattice in solids give rise to magnetism and
  superconductivity.
• Chemical constituents interacting in solution
  give rise to complex pattern formation and
  growth.
• Living systems self assemble their own
  components, self repair them as necessary, and
  reproduce they sense and respond to even subtle
  changes in their environments.
•  

Magnetism in materials
Collective effects and emergent behavior in
inorganic systems
Oscillatory chemical reactions
Patterning in living systems using templates,
scaffolds, catalysts, oscillatory chemical
reactions, and more and emergent functionality
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Harnessing the Power of Advanced Computing
for Condensed Matter and Materials Physics,
Chemistry, and Biosciences
Office of Basic Energy Sciences
Combustion turbulence modeling
Vortices in a superfluid
Semiconductor-liquid interface
C-H bond activation reaction
Cs ion transport
Atomic hydrogen ionization
Waveguide optics
Crystal structure for C36 solid
Two spheres mixing in a stream
Gold nanowire
Magnetic moments in materials
Binary alloy solidification
Clay-mineral geochemistry
Complex fluids
Nanoparticles binding in solution
Na counterion mobility in DNA
Solvation in supercritical water
Turbulent flame
Dissociation of ketene
Electric field in a 2D photonic crystal waveguide
Uranyl in aqueous solution