Transcript Document 7223453

A plan to establish, with the university community, a
highly collaborative, multidisciplinary Nanoscale Science
Research Center at Oak Ridge National Laboratory
Center for
Nanophase Materials Sciences
ORNL’s
SNS
Campus
CNMS
D. H. Lowndes
Oak Ridge National Laboratory
presentation at the
BESAC Meeting
SNS
CLO
JINS
Gaithersburg, MD
August 2, 2001
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Outline
 Challenges in Nanoscale Science
 The CNMS Concept: Creating Scientific Synergies
to Produce a Nonlinear Advance in Knowledge
 Governance, Advisory Committee, Staffing
 Nanoscience and Neutron Scattering; Synthesis, The Enabler of Science
 Science Enabled: Soft Materials, Complex Nanophase
Materials Systems, Theory / Modeling / Simulation
Developing the CNMS: How Will We Do It?
 Schedule for CNMS Building and Equipment
 Building a Highly Collaborative Research Center
 Preconceptual university community involvement
Further Engaging the Scientific Community: CNMS Planning Workshop
 Purpose, Participants, Input Sought, Desired Outcomes
 How Will CNMS Accelerate the Process of Discovery
in Nanoscale Science and Technology?
BESAC Feb 27, 2001
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A Challenging Characteristic of
Nanoscale Science
THE MOST INTERESTING SCIENCE IS AT THE INTERFACES
 Traditional academic disciplines
 Physics / chemistry / biology / computational science / engineering
 “Soft” and “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)
Triblock coploymer morphologies
Current Scientific Infrastructure Is Not Well
Suited for Working at the Nanoscale
BESAC Feb 27, 2001
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Center for Nanophase Materials Sciences
A highly collaborative, multidisciplinary research center
SNS
CNMS
JINS
Co-located with the Spallation Neutron Source (SNS)
and the Joint Institute for Neutron Sciences (JINS)
on ORNL’s “new campus”
BESAC Feb 27, 2001
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CNMS Integrates Nanoscale Science
with Three Synergistic Research Needs
 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
 Synthesis Science [ Regional Nanofabrication Research Lab ]
 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
 Theory / Modeling / Simulation (TMS) [Nanomaterials Theory Institute]
 Stimulate U.S. leadership in using TMS to design new nanomaterials
 Investigate new pathways for materials synthesis
CNMS will create and exploit the synergies among these to
produce a nonlinear advance in nanoscale science,
and a nonlinear return on investment
BESAC Feb 27, 2001
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Organization of Research in the
CNMS
Soft Mater ials
Mic helle V. Buchanan
Researc h Foc us Area
Anchored by core research staf f
and long-t erm Visiting Scientist s
Researc h Foc us Area
Number of f ocus areas recommended
by t he Advisory Committee
Com p lex Nanoph ase
Mater ials Syste m s
E. Ward Plummer
The or y, Mod elin g,
an d Sim ulation
(Nanomaterials Theory Institute)
Peter T. Cummings
Researc h Foc us Area
Researc h Foc us Area
Anchored by core research staf f
and long-t erm Visiting Scientist s
Anchored by core research staf f
and long-t erm Visiting Scientist s
Researc h Foc us Area
Number of f ocus areas recommended
by t he Advisory Committee
Nanofabr ication
Res ear ch Labor ator y
TBD
Researc h Foc us Area
Number of f ocus areas recommended
by t he Advisory Committee
 Three “Scientific Thrusts”
 Soft Materials -- Michelle Buchanan
 Complex Nanophase Materials Systems -- Ward Plummer
 Nanomaterials Theory Institute (Theory / Modeling / Simulation) -- Peter Cummings
 9-12 multidisciplinary “Research Focus Areas”
 Anchored by permanent staff + long-term visitors (“core” research staff)
 Dominated numerically by graduate students, postdocs, short-term visitors
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Governance of the Center for Nanophase Materials Sciences
ORN L Associate Laboratory D irect or
For Physical and Computational Sciences
James B. Rober to
Advisory Committee
C ent er f or N anophase Mat erials Sciences
Proposal Selection C ommittees
One per Scientific Thr ust Ar ea
Recomm ends Research Focus Areas and pri ori ti es
Chaired by appropri ate mem bers of the Advisory Com mi tt ee
Revi ews and approves Vi sit ing S cient ist appl icat ions
Input from the br oad N anoscale
Science, Engi neeri ng, and
Technolog y Communi ty
SNS HFIR U ser Group
C lose ti es wil l be maintained
R eviews wi ll be coordi nated to
assure access to neutrons
D irect or
C ent er f or N anophase Mat erials Sciences
D ougl as H . Lowndes
Soft Materials
Mi chell e V. Buchanan
C om plex N anophase
Mat erials Syst ems
E. Ward Plummer
Theor y, Modeling,
and Sim ulation
(N anomateri als Theor yInsti tute)
Peter T. Cummi ng s
R esearch Focus Ar ea
R esearch Focus Ar ea
R esearch Focus Ar ea
A nchored by core research st aff
and long-term Vi sit ing S cient ist s
A nchored by core research st aff
and long-term Vi sit ing S cient ist s
A nchored by core research st aff
and long-term Vi sit ing S cient ist s
R esearch Focus Ar ea
R esearch Focus Ar ea
Number of f ocus areas recomm ended
by the A dvisory Com mi tt ee
Number of f ocus areas recomm ended
by the A dvisory Com mi tt ee
N anofabrication
R esearch Labor atory
TBD
Administration, Visitor
and Guest Support
TBD
Visi tor and Guest
Support
R esearch Focus Ar ea
Experi mental Equi pment Support
Number of f ocus areas recomm ended
by the A dvisory Com mi tt ee
Key to Chart col ors
Yell ow: C NMS Leadership Team
Blue: External Advi sory Groups and C ommittees
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Advisory Committee
 Experts in 3 Scientific Thrusts (STs) and Nanofabrication Research
 Additional expertise in neutron scattering and other areas determined by
the Chair (e.g. synthesis)
 Chair to be named in FY2002
 Responsibilities
[1] Recommend Research Focus Areas and priorities
Input: 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) for cause (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 Committee
Approved by ALD in consultation with CNMS Director + ST Leaders
The Advisory Committee has teeth in order to
provide the Center with flexibility to evolve
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Access by Visiting Scientists
[ Similar to CRC Visiting Scientist Selection Process ]
 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 or mail)
 Single Application Process
 Internally coordinated with SNS – HFIR User Group (SHUG)
 Internally coordinated with other ORNL CRCs or User Facilities
TIMELY ACCESS WITH ONLY ONE APPLICATION
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CNMS Mode of Operation
 Flexible and multidisciplinary
 18 FTE (≥ 27 actual) permanent ORNL-derived research staff
 9-12 Research Focus Areas that evolve and can be changed
 Highly collaborative (universities mainly; industry, other NLs)
 “Core” res. staff includes 18 FTE (≥ 27 actual) long-term visitors
 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
 Responsive to scientific community
 Advisory Committee guides choice of scientific directions
 Major university presence in both staffing and governance
 Highly leveraged and coordinated: Infrastructure investments
(personnel and equipment) reflect regional and national needs
Maximize resources, promote multidisciplinary interactions, enable
research of scope and depth beyond current national capabilities
BESAC Feb 27, 2001
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Neutron Scattering: A Unique Tool
To Provide Complementary Information
About Nanoscale Self-Organization
 Sub-surface probe of nanoscale organization in 3D (bulk) materials
 Small cross-section: Highly penetrating, nondestructive probe
 Complex sample environments and delicate (biological) materials
 Neutron wavelengths enable probing structure on distance scales
spanning entire nanoscale regime: Atoms to macromolecules
 Neutron scattering is inherently a nanoscale measurement
 Neutron energies ( ~ meV ) comparable to elementary excitations
 Dynamical information on transitions between wide variety of states
 Large cross-section difference for H and D enables H / D labeling
studies of complex biological molecules / systems
 Time-dependent studies: Synthesis / structure / function
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Neutron Scattering: A Unique Tool
To Provide Complementary Information
About Nanoscale Self-Organization
 Incomparable probe of magnetic structure of matter
 Both static and dynamic (fluctuations)
 Scattering cross-sections proportional to static and dynamic
correlation functions
 Directly linked to mathematical description of complex, interacting
systems
 Indispensable probe of coupled nanoscale collective behaviors
NEUTRONS PROVIDE UNIQUE AND COMPLEMENTARY
CAPABILITIES FOR NANOSCALE SCIENCE
BESAC Feb 27, 2001
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Significant Problems in Nanoscale Science
That Can Be Solved by the Center
Using New Neutron Capabilities
 Direct measurements of the correlation lengths (both static and
dynamic) associated with spontaneous electronic phase separation and
competing ground states, in highly correlated electronic systems.
 Identify molecular-level processes occuring at liquid-solid interfaces, in
order to understand how processes differ for macro- and nanomaterials. (Depth-resolved measurements, dependence on nanoparticle
size / electronic structure.) Which nanomaterials can survive, and why?
 Identify the difference between activated and inactivated states of
catalysts (how the catalyst is poisoned) using monolayer-sensitivity
inelastic neutron scattering.
 Direct, in situ measurement of nanoscale phase separation kinetics
(polymer blends, metallic alloys, …).
 Identify the components and interactions of multiprotein complexes, to
enable harnessing these “Molecular Machines” for functional
nanostructures and nanotechnology.
BESAC Feb 27, 2001
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New Nanoscale Science Enabled By Neutrons
Simultaneous, Time-Resolved Measurements of Atomicand Nano-Scale Structure During Synthesis & Processing
Extended Q-Range Small
Angle Neutron Scattering
(SANS)
 Multiple length scales – covers
four decades in Q
 0.001 - 10 Å-1 ( 0.01 - 100 nm)
 High intensity, high resolution
 Nanocrystalline Phases: Simultaneous, direct monitoring of domain
structure (low-Q) and of lattice structure (high-Q)
 Life Science: Direct monitoring of protein-membrane interaction, with
protein structural evolution at low-Q & membrane structure at high-Q
 Nanotubes / bundles: Simultaneous structure and morphology
 Unique sensitivity to light elements (carbon, boron)
 Nanomaterials evolution: General observation of kinetics
BESAC Feb 27, 2001
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New Nanoscale Science Enabled By Neutrons
Unprecedented Studies of Nanoscale Magnetism in
Artificially Structured Films and Reduced Dimensionality
Neutron Reflectometry Today
 Largely limited to specular reflectivity


Layer-averaged chemical and magnetic
depth profile over 0.5 nm – 1 µm
No in-plane structural resolution
 Example: D2O on silicon substrate


Specular reflectivity in time-of-flight
mode using an area detector
Sample: Vertical surface in figure
 Off-specular reflectivity required to
obtain information about in-plane
chemical or magnetic structure
“The scientific case for pursuing studies of
magnetism in artificially-structured materials
at the SNS is so compelling that an instrument dedicated to these studies is unquestionably essential to SNS’ success.”
Instrument Advisory Team, 4/28/2000
EXPERIMENTAL GEOMETRY

Angle q is exaggerated: Incident beam
hits at 0–5 deg, near grazing incidence

Reflected (refracted) beam hits detector
above (below) the sample horizon

2q is the total scattering angle
Illustration courtesy of Frank Klose,
SNS Instrument Systems
BESAC Feb 27, 2001
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New Nanoscale Science Enabled By Neutrons
Unprecedented Studies of Nanoscale Magnetism in
Artificially Structured Films and Reduced Dimensionality
Nanoscale Science Enabled by the
Magnetism Reflectometer at SNS
 Off-specular reflectivity permits depthdependent studies of chemical and
magnetic in-plane structures
 Lateral ordering in magnetic nanostructures

Domains, dots, nanoparticles
 Magnetic coupling across interfaces


Magnetic / non-magnetic proximity effect
Spin structures near interfaces
 Novel nanoscale magnetic materials

Patterned arrays: Dots, lines
 Coupling of magnetism with other collective
phenomena in completely artificial multilayered structures with ~ nm thicknesses
 Integrated nanostructures: Self-assembled
polymer layers with magnetic materials
Illustration courtesy of Frank Klose,
SNS Instrument Systems
BESAC Feb 27, 2001
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The Crucial Importance of Synthesis
The Nature of Nanoscale Research
“It’s about making stuff, putting matter into new situations
so you may discover something new. ..… Rules dreamt up
without the benefit of physical insight are nearly always
wrong. Correct rules must be discovered, not invented.”
Robert Laughlin, Nobel Laureate, April, 2001
The Synthesis Focus at CNMS is Highly Synergistic with the
Capabilities of Neutrons to Explore Nanoscale Phenomena
 Neutrons are inherently nanoscale probes of matter
 Unique opportunity to construct special environments for inbeam, time-resolved studies of nanoscale phenomena, and of
nanomaterials synthesis and processing
 Opportunity for simultaneous measurements at multiple length
scales: directly probe the hierarchical organization of materials
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Soft Materials: Organic, Hybrid, and
Interfacial Nanophases
 Challenges to Synthesis and Understanding
 Control of self-assembly and nanoscale structure
 Understanding how morphology, symmetry,
structure, and phase behavior relate to function
 New approaches for rational design and fabrication
of soft and hybrid materials
 Neutron scattering opportunities
 SANS for nm-scale shape, location, and evolution
 Reflectometry for molecular-scale structure near
surfaces and materials interfaces
 H/D contrast for component-by-component imaging
on all nanometer length scales
> Dilute and concentrated systems
> “Fillers” to control block copolymer properties
> Proteins within complexes (“Machines of Life”)
> Selective migration of components to surfaces
> Interdiffusion in solutions
> Atomic-level details for MD simulations
BESAC Feb 27, 2001
Micellar network obtained
from a dissolved triblock
copolymer
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New Nanoscale Science Enabled By Neutrons
Electronic Phase Separation in Complex
Transition Metal Oxides
Clearly, highly correlated electron systems present us with profound new problems
that almost certainly will represent deep and formidable challenges well into this
new century…
…neutron scattering is an absolutely indispensable tool for studying the exotic
magnetic and charge ordering exhibited by these materials…
Cheong, et al.
--R. J. Birgeneau and M. A. Kastner, Science, 4/2000
• Highly correlated, complex
materials
• Lattice, spin, and charge degrees
of freedom tightly coupled
• Competing ground states
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Complex Nanophase Materials Systems
 Challenges to Synthesis and Understanding
 Choosing the right path in a bewildering array of complex oxide materials
KTaO 3
> More efficient experimental search methods
Nonequilibrium combinatorial synthesis
KNbO 3
> More intelligent searching
Simulation-driven synthesis
 Crystals for neutron scattering
KTaO 3
> High-quality bulk single crystals
> Unique thick-film “superlattice crystals”
High-speed pulsed-laser deposition
SRS
Induce new couplings of collective phenomena
 Characterization: Expanded energy,
length, and time scales
 Neutron scattering opportunities
 Elastic and inelastic scattering
 Reflectometry: Depth-profiling and
in-plane order
 High-resolution powder diffraction
BESAC Feb 27, 2001
Epitaxial heterostructure with atomically
flat interfaces grown by pulsed laser
deposition at ORNL. The 3-unit-cell KNbO3
layers are ferroelectrically ordered only
because of coupling through the KTaO3
spacer layers. The entire structure is grown
upon a metastable conducting
SrRu 0.5Sn 0.5O3 buffer layer oxide that
cannot be formed in the bulk.
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The Nanofabrication Research Laboratory
 Will be operated as a regional research facility within the
CNMS, in collaboration with the university community
 Will integrate “soft”- and “hard”-materials approaches in the
same structures, by conducting research on directed selfassembly for nanofabrication
 Will provide access to clean rooms, electron-beam lithography,
high-resolution electron microscopy, various scanning probes,
and specialized materials-handling facilities
 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 southeastern
universities for a very well-equipped regional nanofabrication facility to enable nanoscale science investigations
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Developing the CNMS:
How Will We Do It?
BESAC Feb 27, 2001
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Timeline for CNMS Building Activities
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This Plan Is Highly Leveraged and
Driven By Input from University Researchers
 Infrastructure investments (organization, equipment, personnel)
 Reflect directly expressed national and regional university needs
 Complement or extend existing ORNL and university capabilities
 Ensure full use of other ORNL facilities for nanoscale materials research
 Initial input from 19 universities regarding CNMS mode of operation,
research needs, and complementary nanoscience activities
Clemson, Duke, Florida St., Georgia Tech, Harvard, Kentucky, MIT,
Minnesota, NC State, Northwestern, Penn, Princeton, U. Ala.-Birmingham,
U. Mass., U. NC, U. Tenn., U. Virginia, Vanderbilt, Virginia Tech
 “Straw man” equipment list prepared with input from 15 universities
 Materials synthesis & nanofabrication; chemical & physical characterization
 Special sample environments for neutron experiments
 Computational infrastructure
NOW IN DESIGN PHASE
 GOAL: Unique nanoscience research and education experience for
new generation of graduate students and postdoctoral scholars
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Further Engaging the Scientific Community:
A CNMS Planning Workshop
BESAC Feb 27, 2001
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CNMS Planning Workshop
October 24-26, Garden Plaza Hotel, Oak Ridge
PURPOSE
 Engage the national and regional scientific community
in planning the Center and its research
INPUT SOUGHT AND DESIRED OUTCOMES
 Identify candidate research areas and equipment needs; user
operations and infrastructure needs; identify champions for research
focus areas; integration with other ORNL facilities / capabilities
 Opening Welcome: Pat Dehmer, Bill Madia, Doug Lowndes
 Plenary session: Perspectives on Nanophase Materials Research
 University perspectives
Tom Russell, Director, MS&E Center, U. Massachusetts–Amherst
Z. L. Wang, Director, Ctr. for Nanoscience / Nanotechnology, Georgia Tech
 Industry perspective
Thomas Theis, Director of Physical Sciences, IBM Watson Research Ctr.
BESAC Feb 27, 2001
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CNMS Planning Workshop (cont’d)
BREAKOUT SESSIONS
and Discussion Leaders
Nanofabrication Research Laboratory
Michael Simpson (ORNL), Leonard Feldman (Vanderbilt) + TBD
Nanomaterials Theory Institute
Peter Cummings (ORNL/UT), John Cooke (ORNL) + TBD
Soft Materials: Organic, Hybird, and Interfacial
Michelle Buchanan (ORNL), Tom Russell (U. of Mass.),
Jimmy Mays (U. of Alabama-Birmingham)
Complex Nanophase Materials Systems
Ward Plummer (ORNL/UT), Z.L. Wang (Georgia Tech) + TBD
Operational Aspects
Linda Horton (ORNL), Al Ekkebus (SNS User Prog Mgr) + TBD
Recommendations from breakout sessions expected especially
to influence selection of collaborative research focus areas
BESAC Feb 27, 2001
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Publicizing the CNMS Planning
Workshop: October 24-26, 2001
 Announcement of Collaborative Research Opportunities in Nanoscale
Science scheduled for Commerce Business Daily
 Plenary speakers invited
 Flyer and Web Site prepared:
http://www.ms.ornl.gov/nanoworkshop/nanointro.htm
 Advertising on Materials Research Society + other materials research
web sites
 Direct, individual e-mailing scheduled to potential users and
collaborators, using mailing lists that include
 National divisions and sections of both APS and ACS
 SNS - HFIR User Group (SHUG) + other neutron-scattering lists including
Neutron Scattering Society of America (NSSA), ANL and NIST
 Participants in Georgia Tech Conference on Nanoscience and
Nanotechnology + other nanoscience conferences as available
 Plenary talk by Doug Lowndes at Second Georgia Tech Conference
on Nanoscience and Nanotechnology (Sept. 19-21, 2001)
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How Will the CNMS Accelerate
Discovery in Nanoscale Science?
By assembling the resources and creating the synergies needed to
produce timely answers to the largest questions in nanoscale science
Special environments
Neutron
Science
In situ measurements
More efficient search &
discovery
Time-resolved
measurements
Nonequilibrium
combinatorial synthesis
Extensive synthesis
capabilities
Simulation-driven design
Synthesis
Theory
Modeling
Simulation
Science-driven synthesis
More intelligent searching
Integrate the uniquely strong capabilities of ORNL and universities
Create a nonlinear advance in knowledge of nanoscale materials and
phenomena, and Learn the Rules for Nanoscale Self-Organization
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