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1 BESAC Feb 27, 2001 CNMS Development Team and Status Doug Lowndes CNMS Director / ORNL Corporate Fellow & Group Leader for Thin Film & Nanostructured Materials Physics / UT professor (MS&E, part-time) Michelle Buchanan CNMS Scientific Thrust Leader for Soft Materials / ORNL Director of Chemical Sciences Division Ward Plummer CNMS Scientific Thrust Leader for Complex Nanophase Materials Systems (“Hard” Materials) / Distinguished Scientist ORNL and UT (Physics) Peter Cummings CNMS Scientific Thrust Leader for Theory / Modeling / Sumulation (Nanomaterials Theory Institute) / Distinguished Scientist ORNL and UT (Chem Eng., Chemistry, Computational Science) Linda Horton CNMS Building, Infrastructure, and Outreach / ORNL BES Program Director for Metal and Ceramic Sciences John Cooke CNMS Work Proposal Manager / ORNL Director of Solid State Division Jim Roberto ORNL Associate Laboratory Director for Physical Sciences

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CNMS Development Team and Status. Doug Lowndes CNMS Director / ORNL Corporate Fellow & Group Leader for Thin Film & Nanostructured Materials Physics / UT professor (MS&E, part-time) - PowerPoint PPT Presentation

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Page 1: CNMS  Development  Team  and  Status

1BESAC Feb 27, 2001

CNMS Development Team and Status Doug Lowndes CNMS Director / ORNL Corporate Fellow & Group Leader for Thin Film

& Nanostructured Materials Physics / UT professor (MS&E, part-time)

Michelle Buchanan CNMS Scientific Thrust Leader for Soft Materials / ORNL Director of Chemical Sciences Division

Ward Plummer CNMS Scientific Thrust Leader for Complex Nanophase Materials Systems (“Hard” Materials) / Distinguished Scientist ORNL and UT (Physics)

Peter Cummings CNMS Scientific Thrust Leader for Theory / Modeling / Sumulation (Nanomaterials Theory Institute) / Distinguished Scientist ORNL and UT (Chem Eng., Chemistry, Computational Science)

Linda Horton CNMS Building, Infrastructure, and Outreach / ORNL BES Program Director for Metal and Ceramic Sciences

John Cooke CNMS Work Proposal Manager / ORNL Director of Solid State Division

Jim Roberto ORNL Associate Laboratory Director for Physical Sciences

Page 2: CNMS  Development  Team  and  Status

2

The Center for NanophaseThe Center for NanophaseMaterials SciencesMaterials Sciences

Oak Ridge National Laboratory has been selected to develop, Oak Ridge National Laboratory has been selected to develop, together with the university community, a highly collaborative together with the university community, a highly collaborative

and multidisciplinary Nanoscale Science Research Centerand multidisciplinary Nanoscale Science Research Center

CNMSORNL’sSNS

Campus

JINS

SNSCLO

presentation at the

BESAC Meeting

Gaithersburg, MDNovember 14, 2001

Douglas H. LowndesE. Ward Plummer

Oak Ridge National LaboratoryUniversity of Tennessee

Page 3: CNMS  Development  Team  and  Status

3BESAC Feb 27, 2001

Challenges in Nanoscale Science The CNMS Concept: Creating Scientific Synergies

to Accelerate the Pace of Discovery Neutron science; science-driven synthesis and nano-

fabrication research; theory / modeling / simulation (TMS) Major scientific thrusts, CNMS building, and projected impacts

CNMS Outreach, Vision for Interactions, and Science Enabled Enabling collaborative, multidisciplinary science: Staffing & CNMS scholars Initial outreach (2000) and First Planning Workshop (Oct. 2001) Candidate Research Focus Areas (within Scientific Thrusts)

Equipment Needs and Access to Other ORNL Assets Management Plan and Governance

Advisory Committee; Proposal Review Committees; access to CNMS ORNL, State, and Other Commitments to the CNMS Complementarity & Coordination with Other Nanoscience Activities Synthesis: The Role of Materials in Discovery An

Example of Coordination and Complementarity

Outline

Page 4: CNMS  Development  Team  and  Status

4BESAC Feb 27, 2001

THE GREATEST CHALLENGES AND OPPORTUNITIES REQUIRE WORKING AT A SET OF INTERFACES

Understanding: Boundaries of academic disciplines Physics / chemistry / biology / computational science / engineering

New Technology: Requires Integrating“Soft” & “Hard” Materials Sciences Different tools, different expertise Both needed for new Nanotechnology

Nanometer Length Scale: Midway between Atomic-scale (masters of understanding) Sub-micron scale (masters of miniaturization)

Current Scientific Infrastructure Not Well Suitedfor Research or Education at the Nanoscale

A Significant Characteristic of Nanoscale Science

Triblock coploymer morphologies

Page 5: CNMS  Development  Team  and  Status

5BESAC Feb 27, 2001

The BES Challenge for Nanoscale Science Research Centers

Clear Intent Focus research on largest, most fundamental challenges to

understanding nanoscale materials and phenomena

Assemble resources--people, facilities, collaborative expertise--and create synergies that will rapidly advance knowledge of nanoscale materials and phenomena

Identify ways to integrate uniquely nanoscale phenomena and properties with the micro- and macro- scales

Create an environment for multidisciplinary research education

Maximize resources and promote multidisciplinary interactions,to enable research of a scope and depth

beyond current national capabilities

Page 6: CNMS  Development  Team  and  Status

6BESAC Feb 27, 2001

A highly collaborative, multidisciplinary research center

Co-located with the Spallation Neutron Source (SNS)and the Joint Institute for Neutron Sciences (JINS)

on ORNL’s “new campus”

Center for Nanophase Materials Sciences

CNMS

JINS

SNS

CNMS Offices and Labs

Nanofabrication Research Lab

Page 7: CNMS  Development  Team  and  Status

7BESAC Feb 27, 2001

Science Themes and VisionHow Will the CNMS AccelerateDiscovery in Nanoscale Science?

Neutron Science

Synthesis Science

Theory / Modeling / Simulation

By Integrating Nanoscale Science withThree Synergistic Research Needs

Page 8: CNMS  Development  Team  and  Status

8BESAC Feb 27, 2001

How Will the CNMS AccelerateDiscovery in Nanoscale Science?

NeutronScience

Neutron Science [ SNS + Upgraded HFIR ] Opportunity to assume world leadership using unique capabilities of

neutron scattering to understand nanoscale materials and processes Challenging nanoscience focus helps grow the U.S.-based neutron

science community to levels found elsewhere in the world

Page 9: CNMS  Development  Team  and  Status

9BESAC Feb 27, 2001

How Will the CNMS AccelerateDiscovery in Nanoscale Science?

NeutronScience

Synthesis

Synthesis Science [ Nanofabrication Research Laboratory ] Science-driven synthesis: Key role of synthesis as enabler of new

generations of advanced materials; evolution of synthesis via TMS More efficient methods: Search & Discovery; new synthesis pathways

Page 10: CNMS  Development  Team  and  Status

10BESAC Feb 27, 2001

How Will the CNMS AccelerateDiscovery in Nanoscale Science?

NeutronScience

TheoryModeling

Simulation

Synthesis

Theory / Modeling / Simulation (TMS) [Nanomaterials Theory Institute] Stimulate U.S. leadership in using TMS to design new nanomaterials Investigate new pathways for materials synthesis Apply TMS and ORNL’s CCS to understand nanoscale phenomena

Page 11: CNMS  Development  Team  and  Status

11BESAC Feb 27, 2001

How Will the CNMS AccelerateDiscovery in Nanoscale Science?

By assembling the resources and creating the synergies needed toproduce timely answers to the largest questions in nanoscale science

Special environmentsIn situ measurementsTime-resolved measurementsExtensive synthesis

capabilitiesSimulation-driven design

NeutronScience

TheoryModeling

Simulation

More efficient search & discovery

Nonequilibrium combinatorial synthesis

Science-driven synthesisMore intelligent searching

CNMS will create and exploit the synergies among these—andwith the university community—to accelerate the pace ofdiscovery and produce a nonlinear return on investment

Synthesis

Page 12: CNMS  Development  Team  and  Status

12BESAC Feb 27, 2001

Organization of Research in the CNMS

Three major Scientific Thrusts + Nanofabrication Research Lab Soft Materials -- Michelle Buchanan

Including organic, interfacial, and hybrid nanophases Complex Nanophase Materials Systems -- Ward Plummer

Including cross-cutting areas of interfaces and reduced dimensionality Nanomaterials Theory Institute -- Peter Cummings Nanofabrication Research Laboratory -- Michael Simpson

~ 10 multidisciplinary “Research Focus Areas”, proposed by scientific community, recommended by Advisory Committee Anchored by ORNL staff + long-term visitors (“core” research staff) Dominated numerically by graduate students, postdocs, short-term visitors

Research Focus AreaAnchored by core research staffand long-term Visiting Scientists

Research Focus AreaNumber of focus areas recommended

by the Advisory Committee

Soft MaterialsMichelle V. Buchanan

Research Focus AreaAnchored by core research staffand long-term Visiting Scientists

Research Focus AreaNumber of focus areas recommended

by the Advisory Committee

Complex NanophaseMaterials Systems

E. Ward Plummer

Research Focus AreaAnchored by core research staffand long-term Visiting Scientists

Research Focus AreaNumber of focus areas recommended

by the Advisory Committee

Theory, Modeling,and Simulation

(Nanomaterials Theory Institute)Peter T. Cummings

Anchored by core research staffand long-term Visiting Scientists

NanofabricationResearch Laboratory

Michael L. Simpson

Page 13: CNMS  Development  Team  and  Status

13BESAC Feb 27, 2001

Enabling Collaborative, Multidisciplinary ResearchBuilding and Support Facilities

80,000 sf: Four levels + Nanofabrication Research Lab (NRL) “Wet” and “dry” materials synthesis and characterization labs Office space for staff and visitors: Immediately opposite labs to

maximize collaborative, multidisiplinary, and educational interactions Nanomaterials Theory Institute: Labs to access terascale computing

facilities / expertise of ORNL Center for Computational Sciences (CCS) NRL: Clean and environmentally controlled rooms; electron

microscopes; nanoscale patterning (e-beam writer / lithography); facilities for manipulation and integration of soft & hard materials

CNMS 1st floor (adjacent to NRL): High-resolution scanning probes

SNS CLO: Machine shop, stockroom, large-meeting facilities

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Page 14: CNMS  Development  Team  and  Status

14BESAC Feb 27, 2001

Vision for Nanoscience Research & EducationA collaborative research center for design, synthesis, characterization and theory

/ modeling / simulation of nanoscale materials / phenomena / assemblies Provide scientists from throughout the U.S. with access to state-of-the-art

facilities and expertise for Materials synthesis, nanofabrication, and integration Scanning-probe and e-beam imaging instruments from atomic scale upward k-space and direct time-resolved studies of materials synthesis & self-assembly Terascale modeling and simulation

Anchored by nationallyrecognized “core” researchstaff drawn from ORNL,universities, and industry

CNMS Postdoc Fellowships:Training ground for nation’sfuture scientists and faculty

CNMS Scholarships: Local expense support to ensure access by qualified grad student and postdoctoral visitors (brief peer-reviewed proposal)

Expert technical assistance, training, and scientific collaboration

Highly interactive and multidisciplinary environmentfor nanoscience research education

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Page 15: CNMS  Development  Team  and  Status

15BESAC Feb 27, 2001

Projected ImpactsCNMS will provide access to the full cycle of

capabilities needed to meet the BES Challenge

Permit tackling problems of a scope, disciplinary depth, and complexity that is beyond current national capabilities

Resident collaborators, technicalsupport personnel, short- and

long-term visiting positionsInfrastructure and environment to

support collaborative research andmultidisciplinary research education

Increased and accelerated fundamental understandingGrowth mechanisms, self-assembly, transfer & coupling across interfaces,collective phenomena in low dimensionality, inorganic/organic/bio interfaces

Many fields impacted (see IWGN Natl. Nanotech. Initiative summary)Structural materials, highly specific sensors, functional materials (nanoscalesize, dimensionality), medicine (targeted drug delivery & imaging), catalysis(efficiency, selectivity), energy generation / storage, nanomechanics (friction,actuators), vacuum nano-electronics (nanotube field emitters)

SynthesisModeling

Charac-terization

Design

Page 16: CNMS  Development  Team  and  Status

16BESAC Feb 27, 2001

CNMS Projected Collaborative Impacts CNMS will be THE world leader in using neutron scattering to make

broad classes of nanoscale phenomena accessible to fundamental study

Leadership in science-driven synthesis—via synergy with TMS—will accelerate both discovery and understanding of advanced materials

Nanomaterials Theory Institute A world leader for designing new functional materials and for

investigating pathways for nanomaterials synthesis Stimulate and support the understanding of nanoscale phenomena

Nanofabrication Research Laboratory (facilities and expertise) Understand and direct nanoscale self-assembly Functionally integrate use of “soft” and “hard” materials

CNMS: A leading center for multidisiciplinary NSET research and education in the United States, and the intellectual and operational focal point for the southeastern U. S.

Page 17: CNMS  Development  Team  and  Status

17BESAC Feb 27, 2001

How Will CNMS EnableMultidisciplinary Collaborations ?

Research Staffingand

EducationalOutreach

Page 18: CNMS  Development  Team  and  Status

18BESAC Feb 27, 2001

Flexible and multidisciplinary “Core” research staff includes 18 FTE (≥ 27 actual) ORNL-derived

researchersForefront scientists, nationally known programs

~ 10 Research Focus Areas that evolve and can be changed

Highly collaborative (mainly universities; industry, other NLs) “Core” res. staff includes 18 FTE (≥ 27 actual) long-term visitors

Young faculty; sabbatical visitors; release–time purchasesto enable collaboration

Up to 36 postdocs from universities, national labs, industry Hundreds of graduate students and short-term visitors per year

1/2 to 3/4 of FTEs from other institutions

Highly qualified technical support staff

Major presence of visitors in staffingto enhance collaboration

CNMS Staffing and Mode of Operation

Page 19: CNMS  Development  Team  and  Status

19BESAC Feb 27, 2001

PURPOSES Overcome a barrier to collaboration

Provide enhanced opportunities for grad students and visitors to obtain collaborative, multidisciplinary research experience using specialized national facilities

Increase the pool of young scientists with multidisciplinary nanoscale research experience

Encouraging Multidisciplinary Research EducationCNMS Scholarships for Graduate Students and Short-Term Visitors

Scholarships cover full-time local living expenses (per diem) for 35 FTE graduate students and 35 FTE short-term research visitors Hundreds in practice (est. 300 - 750 / year, depending on duration of visit)

Criterion: Quality and suitability of the Science Proposal Selection Committee approval required

Page 20: CNMS  Development  Team  and  Status

20BESAC Feb 27, 2001

Encouraging Multidisciplinary Research EducationCNMS Support for Postdoctoral Scholars

CNMS Support for 18 FTE Postdoctoral Scholars Expect up to 36 people jointly supported with university research groups MODEL: ≤ 6 postdocs hired fully by CNMS, ≥ 24 hired jointly with

collaborating groups

CRITERIA FOR POSTDOCTORAL SUPPORT Highly motivated research collaborators with own research support Quality and suitability of the Science Advisory Committee recommendations for Research Focus Areas and budget

allocations Rapidly establish new research direction (Advisory Committee

recommendation)

Page 21: CNMS  Development  Team  and  Status

21BESAC Feb 27, 2001

ORNL Associate Laboratory DirectorFor Physical Sciences

James B. Roberto

Advisory CommitteeCenter for Nanophase Materials Sciences

Recommends Research Focus Areas and priorities

Input from the broad NanoscaleScience, Engineering, andTechnology Community Director

Center for Nanophase Materials SciencesDouglas H. Lowndes

Proposal Selection CommitteeOne per Scientific Thrust Area

Chaired by appropriate members of the Advisory CommitteeReviews and approves Visiting Scientist Applications

SNS - HFIRClose ties will be maintained

Reviews will be coordinated toassure access to neutrons

Soft MaterialsMichelle V. Buchanan

Complex NanophaseMaterials SystemsE. Ward Plummer

Theory, Modeling,And Simulation

(Nanomaterials Theory Institute)Peter T. Cummings

NanofabricationResearch LaboratoryMichael L. Simpson

Visitor and Guest SupportTBD

Research Focus AreaAnchored by core research staffand long-term Visiting Scientists

Research Focus AreaNumber of focus areas recommended

by the Advisory Committee

Research Focus AreaAnchored by core research staffand long-term Visiting Scientists

Research Focus AreaNumber of focus areas recommended

by the Advisory Committee

Research Focus AreaAnchored by core research staffand long-term Visiting Scientists

Research Focus AreaNumber of focus areas recommended

by the Advisory Committee

Anchored by core research staffand long-term Visiting Scientists

Experimental Equipment Support

TBD

Key to Chart colorsYellow: CNMS Leadership TeamBlue: External Advisory Groups and Committees

Governance of the Center for Nanophase Materials Sciences

Page 22: CNMS  Development  Team  and  Status

22BESAC Feb 27, 2001

Governance of the Center for Nanophase Materials Sciences

NanofabricationResearch

Laboratory

Theory, Modelingand Simulation(Nanomaterials

Theory Institute)

ComplexNanophase

Materials SystemsSoft Materials

Visitorand GuestSupport

ExperimentalEquipment

Support

Proposal Selection CommitteeOne per Scientific Thrust Area

Chaired by appropriate members of theAdvisory Committee: Reviews and

Approves Visiting Scientist Applications

SNS - HFIRClose ties will be maintainedReviews will be coordinatedto assure access to neutrons

Advisory CommitteeCenter for Nanophase

Materials SciencesRecommends Research Focus

Areas and priorities

Input from the broad NanoscaleScience, Engineering, andTechnology Community

ORNLAssociate Laboratory Director

for Physical Sciences

DirectorCenter for Nanophase

Materials Sciences

Page 23: CNMS  Development  Team  and  Status

23BESAC Feb 27, 2001

Advisory Committee Experts in 3 Scientific Thrusts (STs) and Nanofabrication Research

Additional expertise in neutron scattering and other areas determined by the Chair

Chair to be named in FY2002 Responsibilities

[1] Recommend Research Focus Areas and prioritiesInput: Director, ST Leaders, research community (Workshops, reports)

[2] Review Committee for ongoing research / educational activities[3] Can recommend discontinuing a Research Focus Area or Scientific Thrust

(lack of progress; lower priority than emerging science)

Nine Advisory Committee Members 6 external, 3 internal Initially: Appointed by ORNL Assoc. Lab Director (ALD), in consultation

with CNMS Director, ST Leaders & Advisory Committee Chair Steady state:

Nominated by collaborating community and Advisory CommitteeApproved by ALD in consultation with CNMS Director + ST Leaders

The Advisory Committee has teeth in order toprovide the Center with flexibility to evolve

Page 24: CNMS  Development  Team  and  Status

24BESAC Feb 27, 2001

Access by Visiting Scientists[ Similar to CRC Visiting Scientist Selection Process ]

Through Proposal Selection Committees One for each Scientific Thrust (three initially) Review and prioritize proposals for short-term access Each Chaired by a member of the Advisory Committee Members include Scientific Thrust Leader & CNMS Director (ex officio) Chair selects other internal and external members from the

nanoscience community

Input to the Selection Committees: Peer Review (e-mail)

Single Application Process Internally coordinated with SNS – HFIR Internally coordinated with other ORNL CRCs or User Facilities

TIMELY ACCESS WITH ONLY ONE APPLICATION

Page 25: CNMS  Development  Team  and  Status

25BESAC Feb 27, 2001

Further Engaging the Scientific Community

The First CNMSPlanning Workshop

278 registered participantsfrom 67 institutions

Plenary SessionTom Russell (U. Mass.)

Z. L. Wang (Georgia Tech)Thomas Theiss (IBM Watson)

Center Overview Scientific Thrust Leaders

Three Rounds of Breakout Discussion Sessions

http://www.ms.ornl.gov/nanoworkshop/nanointro.htm

Page 26: CNMS  Development  Team  and  Status

26BESAC Feb 27, 2001

Institutions Represented at the FirstCNMS Planning Workshop Universities (46)

Alabama, Alabama-Birmingham, Arkansas, Baylor, Clark Atlanta, Clemson, Colorado State, Duke, East Carolina, Florida, Florida A&M, Florida International, Florida State, Georgia State, Georgia Tech, Houston, Iowa State, Kentucky, Louisville, Maryland, Massachusetts-Amherst, Memphis, Michigan, Minnesota, Missouri-Rolla, Mississippi State, New Orleans, North Carolina, North Carolina State, Northwestern, Oklahoma State, Pennsylvania, Penn State, Puerto Rico, Rice, South Carolina, Southern Illinois, Tennessee, Tennessee Tech, Tulane, UCLA, Utah, Vanderbilt, Virginia, Virginia Tech, Washington U. (St. Louis)

National Research Laboratories and Centers (10)Ames National Lab, Argonne National Lab, Lawrence Berkeley National Lab, Lawrence Livermore National Lab, Los Alamos National Lab, Sandia National Labs, Max-Planck-Institut of Microstructure Physics (Germany), NASA Marshall Space Flight Center, NASA Langley Research Center, National High Magnetic Field Lab

Industry (including development of nanotechnology) (10)DRA, East Tenn. Development Council, Exeter Asset Mgt., IBM Watson Research Center, Motorola Inc., Plasma Processes Inc., Rowland Institute, Teledyne Brown Engineering, Toucan Capital Corp., Western Environmental Corp.

Page 27: CNMS  Development  Team  and  Status

27BESAC Feb 27, 2001

PURPOSE Engage the national and regional scientific community in

planning the Center and its researchBREAKOUT DISCUSSION SESSIONS:

INPUT SOUGHT AND DESIRED OUTCOMES Identify candidate collaborative Research Focus Areas (RFAs) and

equipment needs Most important challenges to scientific understanding Most signficant opportunities for new technology

Identify university and ORNL “champions” for Research Focus Areas Potential lead scientists for collaborative research Build teams for research in the Center’s scientific thrust areas

Desired CNMS mode of operation and infrastructure / support needs Access to existing ORNL facilities / capabilities useful for nanoscience Outreach to and collaborations with other BES NSRCs and other

federal, state, and university nanoscience research centers

CNMS Planning Workshop

Page 28: CNMS  Development  Team  and  Status

28BESAC Feb 27, 2001

Results of First CNMS Planning WorkshopCandidate Research Focus Areas

Synthetic Polymers andBio-Inspired Materials

Scientific Challenges√ Creating 3D structures with tailored

properties and/or function√ Controlled supramolecular assembly

of macromolecules

Interfacing Nanostructures to Biological Systems: From

Synthesis to Signal Transduction Scientific Challenges

√ Controlled synthesis at size scale & spacing relevant to bio systems

√ Patterned functionalization & assembly of nanoscale materials

√ Communication across the nano-material / biomaterial interface

Soft Materials

Systems Dominated by Organic-Inorganic Interconnections

Scientific Challenges√ Nature of organic-inorganic

interactions√ Transmission & measurement of

responses across soft-hard interfaces√ Control of interactions at multiple

length scales to construct hybrid ‘designed’ materials

√ Interrogation & theoretical description of soft-hard interfaces

Electronics on a Molecular Scale Scientific Challenges

√ Theory of molecular structure and the substrate-molecule interface

Molecular conformation and band offsets

√ Charge transport & manipulation√ The input/output problem and mass

production (“in-principle” solution?)

Page 29: CNMS  Development  Team  and  Status

29BESAC Feb 27, 2001

Results of First CNMS Planning WorkshopSynthetic Polymers and Bio-Inspired Materials (Candidate Research Focus Area) Scientific Grand Challenges

√ 3D structures with tailored properties and/or function

√ Controlled supramolecular assembly of macromolecules

Specific Challenges√ Synthetic control of macromolecular

architecture for stiffness (3D structures), specificity of inter-molecular interactions

√ Hybrid macromolecular systems (org / inorg & bio-org / inorg, including nanotubes & nanoparticles)

√ Control of interfacial phenomena: Uniform (homog), heterog, patterned

√ Scaling of structures & properties: Nano- to macro-scale

√ Characterization of interfaces: Structure, dynamics, microscopic and macroscopic properties

√ Modeling structure & dynamics in condensed phases

Technological Opportunities√ Controlled drug/genome delivery, films

with controlled properties, biomimetic function, self-healing structures, reversible sensors, fluid confinement (sorption and flow), separations, stimulus-controlled properties

ChampionsT. Russell (U. Mass.), J.K. Blasie (Penn), J.

Mays (Ala-Birm / Tenn.), M. Dadmun (Tenn)

ORNL: P. Britt, E. Greenbaum, G. Wignall, M. Ramsey, P. Cummings + others

CollaboratorsUp to 20 other key national leaders inpolymers & biomaterials to be invited

Interactions with Other CentersNIST and Ga Tech Nano CenterNSF/MRSECs in polymer & biomaterials:Mass., Penn., Princeton, UCSB, etc.

Page 30: CNMS  Development  Team  and  Status

30BESAC Feb 27, 2001

Results of First CNMS Planning WorkshopCandidate Research Focus Areas

Virtual Synthesisand Nanomaterials Design

Scientific Challenges√ Chemistry - structure - properties√ Thermodynamics vs kinetics: Formation

of metastable structures; predicting kinetic pathways to unique structures

√ Theory and simulation across multiple length scales

√ Prediction of materials with exceptional characteristics

√ Narrowing the search: Optimized selec-tion of candidate materials & processes

Champions (of 30 people, 13 institutions)M. Buongiorno Nardelli & J. Bernholc

(NCSU), S. Glotzer (Mich), Y. Kim (P.R.), S. Pantelides (Vanderbilt), C. Jayanthi, S. Liu, & S. Wu (Louisville)

ORNL: M. Stocks + 9 collaborators

Theoretical Nano-Interface Science Scientific Challenges

Theory and simulation across multiplelength and time scales, to understand:√ Interactions at organic / organic (bio

and non-bio), organic / inorganic, and inorganic / inorganic interfaces

√ Transport / transfer at and across interfaces

√ Influence of interfaces at larger length scales

√ Designed materials, leading to molecular electronics & integration, and biomedical / chemical sensors

ChampionsS. Glotzer (Mich), G. Smith (Utah), J.

Bernholc (NCSU) + 10 collaborators at eight institutions

ORNL: P. Cummings + approximately 10 collaborators

Theory, Modeling, Simulation

Page 31: CNMS  Development  Team  and  Status

31BESAC Feb 27, 2001

Results of First CNMS Planning WorkshopCandidate Research Focus Areas

Carbon-Based Nanostructures Scientific Challenges

√ Fundamentals of growth at atomic level (catalysts, chirality, in situ diagnostics)

√ Large-scale production with designed properties (diameter, chirality, exotic conformations: tori, Y)

√ Functionalization of nanotubes (pea pods, sidewalls, polymer wrapping, collodial suspensions)

Nanostructured Magnetic Materials Scientific Challenges

√ Synthesis and controlled assembly of magnetic nanostructures

√ Dimensionally confined magnetism√ Control / exploitation of spin / spin-

currents√ Entanglement and decoherence

Complex Hard Materials

Nanoscale Manipulationof Collective Behavior

Scientific Challenges√ Understanding and controlling

spontaneous nanoscale phase separation in correlated materials

√ Nanoscale control of collective phenomena in field-effect structures

√ Understanding and probing effects of reduced dimensionality

√ Control of magnetic properties and conduction at interfaces

Nanoscale Interface Science(Nano- particles & grains)

Scientific Challenges√ Understanding & exploiting dominance of

nanoparticle / grain properties by interfaces / grain boundaries

√ Deformation mechanismsEffects at the particle / grain interface?Role of dislocations & diffusion?

√ Thermodynamics (including meaning)Dominated by surfaces / interfaces and gradients near these?Phase transitions: Controlled by phenomena at the phase interfaces?

Page 32: CNMS  Development  Team  and  Status

32BESAC Feb 27, 2001

Equipment & Instrumentationfor Collaborative Research

[ 2 ] Candidate Research Focus Areas also surveyed during Workshop “Collaborative Needs” section

[ 3 ] Planning Workshop Breakout Session on “Revolutionary Instruments for Nanoscale Characterization: What Are We Missing?” Suggestions by discussion and written survey

SELECTION OF EQUIPMENT FOR CNMS Prioritized selection to be made as Research Focus Areas form

Future Planning Workshops + follow-on activities ORNL NSET programs: Resource of both equipment and expertise

Selectively incorporated in CNMS, but fully accessible for collaboration Guidance: Advisory Committee, Proposal Selection Committees, Workshops

[ 1 ] CNMS’ equipment needs initially surveyed during proposal-writing Input from 15 universities

Page 33: CNMS  Development  Team  and  Status

33BESAC Feb 27, 2001

The Nanofabrication Research Laboratory Addresses the need for a nanofabrication research capability

within CNMS, to support collaboration with the university community

Will integrate “soft”- and “hard”-materials approaches in the same structures, and conduct research on directed self-assembly for nanofabrication and linking to the microscale

Will provide access to clean rooms, electron-beam lithography, high-resolution electron microscopy, various scanning probes, and specialized materials-handling facilities Fabrication and characterization tools in the service of nanocience

By exploiting the extensive synthesis capabilities of the CNMS, the NRL can develop unique nanofabrication capabilities

The NRL will satisfy the strongly felt need of universitiesfor a well-equipped nanofabrication facility to enable

nanoscale science investigations

Page 34: CNMS  Development  Team  and  Status

34BESAC Feb 27, 2001

Complementarity to and Coordination with Other Nanoscience Activities CNMS’ will be the premier Center in the world for nanoscience using

neutrons Static / dynamic information complementary to other methods

Coordination with other BES NSRCs is underway

Active exploration and development of collaborative research interactions with federal / state / university Centers is underway Planning Workshop + efforts of ORNL and university research leaders Research Focus Areas Champions and suggested associated Centers

Page 35: CNMS  Development  Team  and  Status

35BESAC Feb 27, 2001

University Champions for Candidate Research Focus Areas and Suggested Collaborating Centers * J. Bernholc (NCSU) J.K. Blasie (Pennsylvania) W. Butler (Alabama-MINT) R. Compton, G. Sayler (Tenn.) S. Das Sarma (Maryland) H. Dorn (Virginia Tech) L. Feldman, R. Haglund, S.

Pantelides, S. Rosenthal (Vanderbilt)

S. Glotzer (Michigan) E. Grulke (Kentucky) R. Hull (Virginia) J. Mays (Ala-Birm. / Tenn.) A. J. Millis (Rutgers) T. Russell (Massachusetts) D. Schlom (Penn State) Z. L. Wang (Georgia Tech) B. Yakobson (Rice)

NSF Polymers and Biomaterials MRSECs at U. Mass., U. Penn., Princeton, UCSB, U. Minn. + others

U. Alabama MINT Center Georgia Tech Center for Nanosci. & Nanotech. U. Louisville Center for Nanotechnology U. Michigan Center for Computational Materials Research North Carolina Center for Nanoscale Materials Rice U. Center for Nanoscale Science and Technology U. Tennessee: Center for Environmental Biotechnology

and Tennessee Advanced Materials Laboratory Vanderbilt Institute for Nanoscale Science, Engineering

and Biotechnology, and Laser Science Center U. Virginia Center for Nanoscopic Materials Design CINT (Sandia / Los Alamos) Molecular Foundry (LBNL) NASA Centers of Excellence (Langley, Ames) National High Magnetic Field Lab NIST: Polymers Division & Center for Neutron Research

* Partial listing only

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Complementarity to and Coordination with Other Nanoscience Activities CNMS’ will be the premier Center in the world for nanoscience using

neutrons Static / dynamic information complementary to other methods

Coordination with other BES NSRCs is underway

Active exploration and development of collaborative research interactions with federal / state / university Centers is underway Planning Workshop + efforts of ORNL and university research leaders Research Focus Areas Champions and suggested associated Centers

CNMS’ candidate Research Focus Areas and mode of operation are highly synergistic with research of university collaborators CNMS will provide access to state-of-the-art capabilities

synthesis and nanofabricationanalysis / characterizationtheory / modeling / simulation

Training for graduate students and postdoctoral scholars

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Synergies Between CNMS and a UniversityNanoscience Center:Georgia Tech’s CNN

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Synthesis: The Role of Materials in Discovery

An Example of CNMS’ Research Coordination and Complementarity

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ComputationalEquipment &

Resourcesfor CNMS

Joint venture with ORNL’s Center for Computational Sciences (CCS) Obtain dedicated simulation and modeling capabilities

CCS has state-of-the-art terascale computationalscience facilities and expertise

One of two DOE High-Performance Computing Research Centers

Research focus: Computational materials science and nanosciences

CNMS will provide computational infrastructurefor nanoscience research visitors to interface with CCS

Cost-effective access to terascale computing

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Access to Other ORNL AssetsCNMS will internally coordinate reviews of requests to access other

ORNL User Facilities or Collaborative Research Centers (CRCs) Access to CNMS: Proposal Selection Committees (peer review)

Timely, “one-stop” access to all needed nanoscience resources Rapid access to other facilities after visitor is on-site

Submit request to Facility Director: Approval of short-term rapid access, or immediate referral to facility’s own review process

Other Facilities Available via CNMS Spallation Neutron Source & High-Flux Isotope Reactor Center for Computational Sciences Center for Structural Molecular Biology (SANS, mass spectrometry,

computational biology) High Temperature Materials Laboratory (six “user centers”) Shared Research Equipment CRC (incl. atomic-resolution microscopy) Metals Processing Laboratory User Center (four “user centers”)

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Laboratory Commitments to CNMSORNL has strong, diverse, nationally known resources

of nanoscience expertise and leadership $12M LDRD Initiative for NSET (FY2000-2003) Two winning proposals in first BES NSET competition (FY2001)

ORNL Strategic Plan and Laboratory Agenda “Science at the boundaries”: Linking different disciplines to address

fundamental scientific and technical challenges Goals and Commitments

World’s foremost center for neutron sciences Center of excellence for understanding complex biological systems Develop terascale high-performance computing and simulation capabilities Sustain leading position in chemical sciences and advanced materials

science and technology Special commitments: Expand NSET capabilities; develop extraordinary tools

for materials characterization; extend synthesis and characterization capabilities to enable exploration of soft materials

All of these goals and commitments strongly advance CNMS

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External Support for CNMS State of Tennessee: $8M Joint Institute for Neutron

Sciences (JINS) facility Dining and housing adjacent to CNMS for visiting students and

scientists Auditorium (workshops / conferences), classrooms, video-

conferences and distance learning

University of Tennessee Committed to “collaboration in all areas necessary for CNMS’

success,” as part of university’s initiative to expand neutron and materials science research capabilities

Oak Ridge Associated Universities (ORAU) Committed to help support workshops, symposia, development

of research partnerships, joint faculty appointments Facilitate interactions with nearly 100 member colleges and

universities Nanoscience research participation for advanced undergraduates