Welcome: Basic Energy Sciences Program

Workshop onFrontiers in Tribology at the Atomic Scale

March 11, 2004Weinberg Auditorium

Linda HortonORNL BES Materials and Engineering Physics Program

Director

Catalysis and Chemical Transformation

Separations and Analysis

Chemical Energy andChemical Engineering

Heavy Element Chemistry

Raul Miranda John Gordon, LANL

Paul Maupin

John Miller

Lester MorssNorman Edelstein, LBNL

Nicholas WoodwardDavid Lesmes,

George Washington U.

Geosciences Research

Photochemistry &Radiation Research

Chemical Physics

Computational and Theoretical Chemistry

Atomic, Molecular, andOptical Science

Richard Hilderbrandt Frank Tully, SNL

Mary Gress

Richard Hilderbrandt

Plant Sciences

Biochemistry andBiophysics

James Tavares

Sharlene Weatherwax

Chemical Sciences, Geosciences,and Biosciences DivisionWalter Stevens, Director

Karen Talamini, Program AnalystSharon Snead, Secretary

Chemical Sciences, Geosciences,and Biosciences DivisionWalter Stevens, Director

Karen Talamini, Program AnalystSharon Snead, Secretary

William MillmanDiane Marceau, Prog. Asst.

Molecular Processes and Geosciences

William MillmanDiane Marceau, Prog. Asst.

Molecular Processes and Geosciences

Fundamental Interactions

Eric RohlfingRobin Felder, Prog. Asst.

Fundamental Interactions

Eric RohlfingRobin Felder, Prog. Asst.

Fundamental Interactions

Eric RohlfingRobin Felder, Prog. Asst.

Energy Biosciences Research

James TavaresProgram Assistant (Vacant)

Energy Biosciences Research

James TavaresProgram Assistant (Vacant)

Robert AstheimerF. Don FreeburnStanley StatenFred Tathwell

Margie MarrowProgram Analyst (Vacant)

Director's Office Staff

IPA Detailee

Detailee, 1/4 time, not at HQ

February 2004

Patricia Dehmer, Director (Acting)Christie Ashton, Program Analyst

Anna Lundy, Secretary

Materials Sciences and Engineering Division

Patricia Dehmer, Director (Acting)Christie Ashton, Program Analyst

Anna Lundy, Secretary

Materials Sciences and Engineering Division

Materials and Engineering Physics

Robert GottschallTerry Jones, Prog. Asst.

Structure & Compositionof Materials

Mechanical Behavior ofMaterials & Rad Effects

Altaf (Tof) Carim

Yok Chen

Engineering Research

Physical Behavior of Materials

Synthesis & Processing Science

Harriet Kung

Jane Zhu Darryl Sasaki

Timothy Fitzsimmons

Condensed Matter Physand Materials Chemistry

X-Ray & Neutron Scat.

William OosterhuisMelanie Becker, Prog. Asst.

Experimental Condensed Matter Physics

Theoretical Condensed Matter Physics

Materials Chemistry &Biomolecular Materials

James Horwitz

Dale Koelling

Dick KelleyAravinda Kini

Experimental Program to Stimulate Competitive Research (EPSCoR)

Matesh Varma

X-ray & NeutronScattering

Helen Kerch

Scientific User Facilities Division

Patricia Dehmer, DirectorMary Jo Martin, Administrative Specialist

Office of Basic Energy SciencesOffice of Basic Energy Sciences

VacantEric Rohlfing

David Ederer, ANL

Patricia Dehmer, Director (Acting)Linda Cerrone, Program Support Specialist

Spallation NeutronSource (Construction)

Jeffrey Hoy

X-ray & NeutronScatteringFacilities

Pedro MontanoVacant

Nanoscale ScienceResearch Centers

(Construction)Kristin Bennett

Altaf (Tof) Carim

Linac Coherent Light Source (Construction)

Jeffrey Hoy

SNS, LCLS, and X-ray&Neutron Scattering

Instrument MIEs

Kristin Bennett

Five Investment DriversFive Investment Drivers

Challenge: Maintain balance among these five hungry beasts, each demanding immediate care and feeding.

Science that addresses the DOE missionScience that addresses the DOE mission

Science that advances our understanding of the natural Science that advances our understanding of the natural worldworld

Enabling tools – the scientific user facilities and other Enabling tools – the scientific user facilities and other unique instruments for the Nationunique instruments for the Nation

Stewardship of DOE-owned research institutionsStewardship of DOE-owned research institutions

Workforce development and the Nation’s universitiesWorkforce development and the Nation’s universities

The mission of the Basic Energy Sciences program is to foster and support fundamental research to expand the scientific foundations for new and improved energy technologies and for understanding and mitigating the environmental impacts of energy use. As part of its mission, BES plans, constructs, and operates major scientific user facilities to serve the Nation’s researchers.

The Energy ProblemThe Energy Problem

Fossil fuels provide about 85% of the world’s energy. Although reserves are adequate for the next 50 to 100 years, there are two reasons to seek alternative energy sources now: The largest reserves of one of the most important fossil fuels,

petroleum, reside outside the U.S. in politically unstable regions of the world.

The production and release of carbon dioxide into the atmosphere pose the risk of global warming.

All of the alternatives to fossil fuels, even when summed together, today make at best marginal contributions to energy production.

Strategies must be developed that involve increased use of non-carbon based energy sources and more conscientious use of carbon based fuels.

Workshop: October 21-25, 2002Report: March 2003

The report highlighted 37 proposed research directions, most of which already were represented in the BES portfolio of activities.

BES Center for Synthesis and Processing Research is part of the Integration of BES with

DOE’s Energy Mission

• Objective – To enhance the science and engineering of materials synthesis

and processing in order to meet the programmatic needs of the Department of Energy and to facilitate the technological exploitation of materials.

• Selection Criteria– Scientific excellence– Clear relationship to energy-related technologies– Involvement of several laboratories– Existing or potential partnerships with DOE Technologies-funded

programs– Existing or potential in-kind partnerships with industry

CSP provides glue funds for multi-laboratory activities already supported by BES

Current Center Projects• Isolated and Collective

Phenomena in Nanocomposite Magnets

• Controlled Defect Structures in Rare-Earth Ba-Cu-O Cuprate Superconductors

• Smart Structures Based on Electroactive Polymers

• Nanoscale Phenomena in Perovskite Thin Films

• Granular Flow and Kinetics• Synthesis and Processing of

Carbon-based Nanostructured Materials

• Experimental and Computational Lubrication at the Nanoscale

• Spin-Polarized Transport in Complex Oxide

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Excellent ScienceExcellent ScienceThe BES millennial posterThe BES millennial poster

The ultrasmall: Science at the nanoscale

The ultrafast: Science at femtosecond and shorter timescales

Theory, modeling, and simulation: Harnessing the Power of Advanced Computing for condensed matter and materials physics, chemistry, and biosciences

Complexity: Science of systems that exhibit emergent properties not anticipated from an understanding of the components – i.e., systems that challenge the notion that the whole is the sum of the parts

Near-term Fundamental Science DirectionsNear-term Fundamental Science Directions

DNA~2-1/2 nm diameter

Things NaturalThings Natural Things ManmadeThings Manmade

Fly ash~ 10-20m

Atoms of siliconspacing ~tenths of nm

Head of a pin1-2 mm

Quantum corral of 48 iron atoms on copper surfacepositioned one at a time with an STM tip

Corral diameter 14 nm

Human hair~ 60-120m wide

Red blood cellswith white cell

~ 2-5 m

Ant~ 5 mm

Dust mite

200 m

ATP synthase

~10 nm diameterNanotube electrode

Carbon nanotube~1.3 nm diameter

O O

O

OO

O OO O OO OO

O

S

O

S

O

S

O

S

O

S

O

S

O

S

O

S

PO

O

The Challenge

Fabricate and combine nanoscale building blocks to make useful devices, e.g., a photosynthetic reaction center with integral semiconductor storage.

Mic

row

orl

d

0.1 nm

1 nanometer (nm)

0.01 m10 nm

0.1 m100 nm

1 micrometer (m)

0.01 mm10 m

0.1 mm100 m

1 millimeter (mm)

1 cm10 mm

10-2 m

10-3 m

10-4 m

10-5 m

10-6 m

10-7 m

10-8 m

10-9 m

10-10 m

Visi

ble

Nan

ow

orl

d

1,000 nanometers = In

frar

edU

ltrav

iole

tM

icro

wav

eSo

ft x-

ray

1,000,000 nanometers =

Zone plate x-ray “lens”Outer ring spacing ~35 nm

Office of Basic Energy SciencesOffice of Science, U.S. DOE

Version 10-07-03, pmd

The Scale of Things – Nanometers and MoreThe Scale of Things – Nanometers and More

MicroElectroMechanical (MEMS) devices10 -100 m wide

Red blood cellsPollen grain

Carbon buckyball

~1 nm diameter

Self-assembled,Nature-inspired structureMany 10s of nm

Solvation in supercritical water

Combustion turbulence modeling

Turbulent flame

Waveguide optics

Clay-mineral geochemistry

Dissociation of ketene

Crystal structure for C36 solid

Complex fluids

Two spheres mixing in a stream

Binary alloy solidification

Office of Basic Energy Sciences

Harnessing the Power of Advanced Computing forHarnessing the Power of Advanced Computing forCondensed Matter and Materials Physics, Chemistry, and BiosciencesCondensed Matter and Materials Physics, Chemistry, and Biosciences

Electric field in a 2D photonic crystal waveguide

Cs ion transport

Gold nanowire

Nanoparticles binding in solution

Magnetic moments in materials

Na counterion mobility in DNA

Uranyl in aqueous solution

Vortices in a superfluid Semiconductor-liquid interface C-H bond activation reactionAtomic hydrogen ionization

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• 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)• 2 Special Purpose Centers

Advanced Light Source

Stanford Synchrotron

Radiation Lab

National Synchrotron Light Source

Advanced Photon Source

National Center for Electron

Microscopy

Shared Research Equipment Program

Center for Microanalysis of

Materials

Electron Microscopy Center for Materials

Research

High-Flux Isotope Reactor

Intense Pulsed Neutron Source

Combustion Research Facility

Pulse Radiolysis Facility

Materials Preparation Center

Los Alamos Neutron Science

Center

Center for Nanophase

Materials Sciences

Spallation Neutron Source

Linac Coherent Light Source

Center for Integrated

Nanotechnologies

MolecularFoundry

Center for Nanoscale Materials

BES Scientific User FacilitiesBES Scientific User Facilities

Center for Functional

Nanomaterials