BASIC ENERGY SCIENCES Serving the Present, Shaping the Future

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BASIC ENERGY SCIENCES -- Serving the Present,
Shaping the Future

• News from Basic Energy Sciences

Patricia M. Dehmer Director, Office of Basic
Energy Sciences BESAC 5 November 2002
http//www.sc.doe.gov/production/bes/bes.html
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FY 2003 Budget Update -- House and Senate Marks
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FY 2003 House and Senate Appropriations
Committees Actions Language for BES
House report 107 - subcommittee language (page
146) The Committee recommendation for basic
energy sciences is 1,019,6000, the same as the
budget request and an increase of 15,895,000
from fiscal year 2002. For the purposes of
reprogramming during fiscal year 2003, the
Department may allocate funding among all
operating accounts within Basic Energy
Sciences" Research. -- The Committee
recommendation includes 547,888,000 for
materials sciences and engineering, and
220,146,000 for chemical sciences, geosciences,
and energy biosciences, both the same as the
budget request. Included within the materials
sciences and engineering account is 7,685,000
for the Experimental Program to Stimulate
Competitive Research (EPSCoR), the same as the
budget request and as the fiscal year 2002
funding level. Construction. -- The Committee
recommends the requested amount of 251,571,000,
which includes 210,571,000 for construction of
the Spallation Neutron Source (SNS), 11,000,000
for project engineering and design of Nanoscale
Science Research Centers at Oak Ridge, Lawrence
Berkeley, and Sandia National Laboratories,
24,000,000 to initiate construction of the
Center for Nanophase Mateials Sciences at Oak
Ridge National Laboratory, and 6,000,000 for
project engineering and design of the Linac
Coherent Light Source at the Stanford Linear
Accelerator Center.
Senate Report 107-220 full committee language
(page 91) The Committee recommendation includes
1,044,600,000. For purposes of reprogramming in
fiscal year 2002, the Department may allocate
funding among all operating accounts within basic
energy sciences upon written notice to the
appropriate Congressional Committees. The
Committee recommendation includes 12,000,000 for
the Departments Experimental Program to
Stimulate Competitive Research and 4,500,000 in
additional funding to complete preliminary
engineering and design (PED) and move to
construction at the Center for Integrated
Nanotechnology. Within available funds the
Committee recommendation includes full funding
for the operation of the National Synchrotron
Light Source, the Spallation Neutron Source, and
the Nanoscale Science Centers Initiative,
including 24,000,000 for design and construction
of the Center for Nanophase Materials Sciences
and Oak Ridge National Laboratory. Construction
projects are all funded at the level of the
administrations request. The Committee is
pleased with the progress of the Departments
Nanoscience Initiative. The Committee understands
the Department has recently announced its
intention to fund a Nanocenter at Brookhaven
National Laboratory. The Committee has included
1,000,000 to begin preliminary engineering and
design in fiscal year 2003 for the Nanocenter at
Brookhaven (Project 02 SC 2). The Committee
strongly supports the nanoscale science research
centers. Additionally, the Committee recommends
that the additional funds be used to support the
following important activities facility
operations user support completion of the
Nanoscience Research Center project engineering
and design and additional work in computational
sciences in materials and chemistry.
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The FY 2003 Budget Provided Increases for
Research
(dollars in thousands)
FY 2001
FY 2002
FY 2003
Change
Materials Sciences and Engineering
Synthesis and Processing Science
Materials Chemistry
Experimental Condensed Matter Physics
Neutron and X-ray Scattering
Chemical Sciences, Geosciences, and Energy
Biosciences
Photochemistry and Radiation Research
Catalysis and Chemical Transformation
Separations and Analyses
Heavy Element Chemistry
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and Increases for Operations of Major
Scientific User Facilities
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The DOE/SC Budget Cycle
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Observations After Seven Years

• Outside the Beltway
• (Any comparable period)
• 0.4 of the 17-year cicada life cycle
• 1 to 1-1/2 PhD dissertations
• 1 grant 1 renewal

• In BES
• (1996-2002)
• Transitioned from ANS to SNS
• One half of SNS constructed (7-1/2 years total
  construction)
• NNI launched, Nanoscience Centers conceived and
  underway
• 4th generation light sources considered and LCLS
  underway

• Inside the Beltway
• (1996-2002)
• 2 Presidents
• 3-1/2 Congresses
• 4 Secretaries of Energy
• 5 Directors of the Office of Science (including
  Jim Decker twice)
• 7 budgets appropriated (almost)

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Observations After Seven Years

• Outside the Beltway
• (Any comparable period)
• 0.4 of the 17-year cicada life cycle
• 1 to 1-1/2 PhD dissertations
• 1 grant 1 renewal

• In BES
• (1996-2002)
• Transitioned from ANS to SNS
• One half of SNS constructed (7-1/2 years total
  construction)
• NNI launched, Nanoscience Centers conceived and
  underway
• 4th generation light sources considered and LCLS
  underway

• Inside the Beltway
• (1996-2002)
• 2 Presidents
• 3-1/2 Congresses
• 4 Secretaries of Energy
• 5 Directors of the Office of Science (including
  Jim Decker twice)
• 7 budgets appropriated (almost)

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DOE SC Strategic Planning

• Department of Energy
• 25-year time horizon
• Organized around 15-20 goals, with several
  relevant to SC including scientific research,
  science facilities, and a number of crosscutting
  management goals
• Draft nearing completion, out for public comment
  within a month
• Office of Science
• 5 to 10-year time horizon
• Organized around compelling, exciting science,
  with additional focus on facilities and science
  management
• Plan will be completed by March of 2003

Articulate the four or five most important broad
science challenges for the next five to next ten
years. These should capture two thirds or more
of your envisioned program investments.
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Office of Science Occasional Papers

• Reasserting U.S. Leadership in Scientific
  Computation
• The Beauty of Nanoscale Science
• Building a 21st Century Workforce
• Dark Energy the Mystery that Dominates the
  Universe
• Fusion Bringing a Star to Earth
• Scientific Foundations for Countering Terrorism
• Using Natures Own Tool Kit to Clean Up the
  Environment
• Biotechnology for Energy Security

Occasional Papers Spring 2002
http//www.science.doe.gov/feature/occasional_pape
rs/Occ-Papers-frontpage.htm
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Among the BES Submissions to the Occasional
Papers

• The beauty of nanoscale science
• Controlling chemistry making the right stuff
• Theory, modeling, and computational simulation
• Seeing atoms
• The new imperative for fundamental research in
  energy
• Solar energy conversion
• How plants work A systems approach to
  understanding the wonders of Natures
  nanomachines
• And more

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BESAC Advice Has Been Central to Describing the
Challenges

• Program Planning
• Neutron Source Upgrades and the Specifications
  for the SNS (1996)
• Research Reactor Upgrades (Robert Birgeneau,
  Chair)
• Spallation Neutron Source Upgrades (Gabriel
  Aeppli, Chair)
• Technical Specifications for the Next Generation
  Spallation Source (Thomas Russell, Chair)
• Novel, Coherent Light Sources (January, 1999
  Steve Leone, Chair)
• Complex Systems (August, 1999)
• Biomolecular Materials (February, 2002 Mark
  Alper and Sam Stupp, Cochairs)
• Opportunities for Catalysis Science in the 21st
  Century (November 2002 Michael White, Chair)
• Theory and Modeling in Nanoscience (August 2002
  Bill McCurdy/Ellen Stechel, Cochairs)
• Basic Research Needs to Assure a Secure Energy
  Future (Report due 2003 John Stringer, Linda
  Horton, Cochairs)
• 4th Generation Light Sources (2003)
• Program Assessment
• DOE Synchrotron Radiation Sources and Science
  (November, 1997 Robert Birgeneau, Chair and
  Z.-X. Shen, Vice Chair)
• Review of the High Flux Isotope Reactor Upgrade
  and User Program (October, 1998 Jack Crow,
  Chair)
• Review of the Advanced Light Source (February,
  2000 Yves Petroff, Chair)
• Review of the Electron Beam Microcharacterization
  Centers (February, 2000 John Stringer, Chair)

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Broad Challenges for BES

• Realizing the nanoscale revolution
• Tailoring materials one atom at a time for
  desired properties and functions
• Controlling chemical reactivity with designer
  catalysts
• Complex systems
• Understanding collective, cooperative, and
  adaptive phenomena and emergent behavior
• Harnessing the power of advanced computing for
  condensed matter and materials physics,
  chemistry, and biosciences
• Fundamental research for national and energy
  security
• Seeing atoms
• Providing national user facilities for probing
  materials at the atomic scale

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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
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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 new chemistry Controlling chemical
reactivity with designer catalysts

• Opportunities for Catalysis Science in the 21st
  Century
• BESAC recommends the creation of new and
  innovative approaches to research in catalysis
  with the following characteristics
• multiple investigator, multi-institutional teams
  presenting novel approaches to integrating the
  various aspects of catalysis (heterogeneous,
  homogeneous and biological)
• the integration of catalytic research with
  advanced experimental techniques, theory and
  modeling, and advanced approaches to synthesis
  (including areas such as combinatorial chemistry)
  and nano-fabrication
• participation by investigators outside of the
  conventional catalysis arena
• interaction with the DOE Nanoscale Science
  Research Centers and the national user
  facilities
• methods such as virtual access to enhance
  involvement of students from other institutions
  and industrial users from throughout the country
• cognizance and mitigation of the barriers to the
  implementation of new understanding and new
  processes in real world applications of
  catalysis.

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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.
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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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I think you should be more explicit here in step
two.
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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
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Solvation in supercritical water
Turbulent flame
Dissociation of ketene
Electric field in a 2D photonic crystal waveguide
Uranyl in aqueous solution
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Research for National and Energy Security
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Seeing atoms Providing national user
facilities for probing materials at the atomic
scale
X-ray, neutron, and electron scattering
techniques have opened the world of the
ultra-small. The next challenge is to open the
world of the ultra-fast at this same spatial
resolution.
X-ray scattering
Neutron scattering
Electron Scattering
AlNiCo quasicrystal structure
Interface
Zeolite catalyst
Transmission electron microscope image showing an
abrupt interface and low defect density for the
ferroelectric SrTiO3 on Si.
Molecular machines of life
High Tc superconductor
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BES Facilities for X-ray and Neutron Scattering
Advanced Light Source
Advanced Photon Source
Intense Pulsed Neutron Source
National Synchrotron Light 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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X-ray Sources
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The Transmission Electron Achromatic Microscope
(TEAM)
GOAL Design and develop a new generation of
intermediate-voltage (200-300 kV) electron
microscopes in which the two major lens
deficiencies that limit performance spherical
and chromatic aberration are compensated.

• When optimized for resolution, the correction of
  aberrations should allow recovery of direct
  spatial resolution in the range of 50 pm.
• Alternatively, improvements in the electron
  optics would ease tight constraints on sample
  space surrounding the specimen due to the lenses.
  The resulting larger chamber could accommodate
  improved spectrometers or in-situ modules for
  dynamic imaging of reactions, deposition,
  deformation, and response to electric and
  magnetic fields.
• Custom aberration-corrected instruments are
  planned based on a common, standardized core
  platform. Individual instruments will be
  configured to meet distinct scientific goals
  atomic resolution tomography, single column
  microanalysis, or in-situ manipulation.

Time sequence of high-resolution images taken by
NCEM scientist at the only existing spherical
aberration-corrected microscope (Jülich, Germany)
showing removal of a single atomic column at a
gold surface.

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The DOE/SC Budget Cycle
YOU ARE HERE! November 2002 BESAC Mtg.
February 2003, SC strategic plan complete
March 2003, FY 2004 Congressional Budget Testimony
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Next Steps for BESAC
Immediate Discuss with BES the proposed
foundation challenges for the new SC strategic
plan Continuing Workshops/special
panels/reviews and advice on components of the
BES plan
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Office of Basic Energy Sciences
Associate Director's Office Staff Contacts
Patricia Dehmer, Director Iran Thomas, Deputy
Director Mary Jo Martin, Administrative Specialist
Robert Astheimer F. Don Freeburn Stanley
Staten Sharon Long
Chemical Sciences, Geosciences, and Biosciences
Division
Materials Sciences and Engineering Division
Walter Stevens, Director Karen Talamini, Program
Analyst Carolyn Dorsey, Secretary
Iran Thomas, Director Christie Ashton, Program
Analyst Anna Lundy, Secretary
Condensed Matter Physics and Materials
Chemistry X-Ray and Neutron Scattering
Fundamental Interactions
Energy Biosciences Research
Materials and Engineering Physics
Molecular Processes and Geosciences
William Millman Vacant, Proc. Tech.
Allan Laufer Sharon Bowser, Proc. Tech.
Gregory Dilworth Patricia Snyder, Proc. Tech.
William Oosterhuis Melanie Becker, Proc. Tech.
Robert Gottschall Terry Jones, Proc. Tech.
Structure and Composition of Materials
Experimental Condensed Matter Physics
Atomic, Molecular, and Optical Science
Plant Sciences
Catalysis and Chemical Transformation
X-ray and Neutron Scattering
Gregory Dilworth James Tavares
Helen Kerch
Raul Miranda lJulie d'Itri, U. Pittsburgh
Altaf (Tof) Carim
Vacant FTE
Eric Rohlfing
Biochemistry and Biophysics
Sharlene Weatherwax
X-ray and Neutron Scattering Facilities
Theoretical Condensed Matter Physics
Separations and Analysis
Chemical Physics
Mechanical Behavior of Materials Radiation
Effects
John Miller
William Kirchhoff uFrank Tully, SNL
Manfred Leiser Dale Koelling
Yok Chen Harriet Kung lMichael Kassner, OR State
The Division of Chemical Sciences, Geosciences,
and Biosciences currently has (1) Vacant FTE and
(2) Vacant Detailee positions available.
Pedro Montano
Materials Chemistry Biomolecular Materials
Spallation Neutron Source(Construction)
Heavy Element Chemistry
Photochemistry Radiation Research
Physical Behavior of Materials
Lester Morss Norman Edelstein, LBNL
Dick Kelley Aravinda Kini Matesh Varma (PT)
Mary Gress
Jeffrey Hoy
Harriet Kung Robert Hwang, SNL
Nanoscale Science Research Centers
Chemical Energy and Chemical Engineering
Facility Operations
Synthesis and Processing Science
William Millman William Kirchhoff
Paul Maupin
Kristin Bennett
Jane Zhu
Geosciences Research
Experimental Program to Stimulate Competitive
Research (EPSCoR)
37 Federal technical staff
Engineering Research
Nicholas Woodward lRoger Turpening, MTU
Dual Capacity l IPA u Detailee Detailee,
1/4 time, not at HQ
Matesh Varma
Timothy Fitzsimmons
November 2002
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CY 2002 Hires

• Program Managers
• Arvind Kini Biomolecular Materials 2/11/02
• John Miller Separations and Analysis 4/08/02
• Jane Zhu Synthesis and Processing 6/24/02
• Lester Morss Heavy Element Chemistry 9/08/02
• Mike Kassner IPA, Mechanical Behavior of
  Materials 10/01/02
• Harriet Kung Physical Behavior of
  Materials 10/07/02
• Kristin Bennett Nanoscale Science Research
  Centers 10/28/02
• Experimental Condensed Matter Physicist
  Posting is Closed
• Theoretical and Computational Chemist
  To Be Posted
• Support Staff
• Anna Lundy Secretary, Deputy Director
  7/01/02
• Terry Jones Program Assistant 8/12/02
• Senior Management

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Walter Stevens, Director Chemical Sciences,
Geosciences, and Biosciences Division
Dr. Walter Stevens was appointed the Director of
the Chemical Sciences, Geosciences, and
Biosciences Division in DOEs Office of Basic
Energy Sciences on 8 September 2002. He has a
breadth of scientific knowledge that spans the
activities of the Division, and he brings
significant management experience to the
job. Following doctoral work in chemical
physics at Indiana University and postdoctoral
work at Argonne National Laboratory in ab initio
quantum chemistry, Dr. Stevens joined Lawrence
Livermore National Laboratory where he worked on
high-energy gas laser development in the early
days of the laser fusion program.  Beginning in
1975 at the National Bureau of Standards (now
NIST), he applied quantum mechanics to the study
of molecular structure and spectroscopy. In the
mid-1980s, he played a significant role in the
creation and implementation of the Center for
Advanced Research in Biotechnology (CARB), a
collaborative institute of the University of
Maryland and NIST.  Through the early 1990s, Dr.
Stevens served as Associate Director of CARB and
managed a large program in structural biology
that combined molecular biology, crystallography,
biophysics and physical chemistry for the of
study protein structure-function relationships.
His own research at CARB focused on the effect of
protein structure on enzyme mechanisms and
activity.  Later, as Chief of the NIST
Biotechnology Division, he managed research
programs in structural biology, biomolecular
materials, DNA technology, and bioprocessing. 
Dr. Stevens has published 90 papers in archival,
peer-reviewed journals and received significant
recognition while at NIST for his technical and
managerial accomplishments.Dr. Stevens joined
the Office of Basic Energy Sciences in October
2000.  Since that time, he has had responsibility
for the biophysics and biochemistry aspects of
research included in many of the programs of the
Chemical Sciences, Geosciences, and Biosciences
Division in DOEs Office of Basic Energy
Sciences.  He has also been responsible for
advanced scientific computing throughout the
Division.  He concurrently serves as the
principal point of contact for the Office of
Science for homeland defense and counterterroism.
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Nanoscience Center User Workshops
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Nanoscience Center Focus Areas



Intense Pulsed Neutron Source (IPNS)



Electron Microscopy Center (EMC)



Research in magnetism, ferroelectric
and magnetoresistive oxides, diamond,
photochemistry,
clusters, nanoscale addressability and energy
transduction, and soft matter self
-
assembly



Materials synthesis



Theory and simulation



Materials Theory Institute



Instrumentation development