Summary of Breakout Group Reports

Synthesis from atomic/molecular level up: Dave Whitten, Leader

Proposed Workshops:

Adaptive Polymers and Molecular Solids

Artificial Self-Replicating Molecular Systems

Questions

1. How can we control and determine quantitatively order/disorder on different scales?

2. Rules for obtaining multi-component molecular crystal structures.

3. Fabrication and function of Hyperstructures (Structure/Property Relations in Complex Materials)

Big Theme:

Multiscale Ordering, Structure, and Functionality in Artificial Materials.

MOSFAM

Self-organizing and biomimetic materials: Basil Swanson, Leader

ICAM should have support from and presence at Los Alamos but be separate from Los Alamos. It should be national and international.

Probes of the mesoscale (10 - 100 nm) are critical but difficult.

Biologists must be involved

Theme: Toward Synthetic Life

Fabricate systems that incorporate:

• Signaling
• Motility
• Self-replication
• Transport
• Reaction networks

A group of workshops that address these issues should be organized.

Molecular Networks: Jill Trewhella, Leader

Workshop

Theory, Modeling, and Synthesis of Non-covalent Molecular Networks (with

Predicted Properties: Actin Based Systems; Cytoskeleton)

Tom Pollard, Salk Inst.

Stan Leibler, Princeton

Jill Trewhella, Los Alamos

Experimental Tools

Molecular structures:

• Subunit level (1 - 100Å)
• Polymers (100 - 1000 nm)
• NMR, neutrons, EM, x-rays, light fluorescence

• Viscosity
• Compressibility
• Elasticity

• Molecular biology
• Cross-linking

• Fluorescence/microscopy
• Spectroscopy

• Relationship between non-covalent subunit interactions and mechanical properties in biological structures on the 10 - 1000 nm scale.

• Spatial and temporal understanding

• Complete theoretical understanding/model

Energy Landscapes: Hans Frauenfelder, Leader

Why is the concept of energy landscapes of utility to ICAM? For any order/disorder transition.

Energy landscapes are not a useful concept in an open system where there is no obvious free energy which when minimized describes the state of the system. However, complex systems in steady state may be better understood from an energy landscape perspective.

When experimentally would you suspect that a complex energy landscape plays a role in the configuration/dynamics of a system?

• Glassy dynamics: perturbing a system at one time scale perturbs it at another (often hidden).

• Non-exponential dynamics/relaxation (often hidden).

• Rich spectrum of binding dynamics, a broadband spectra of molecules which are accepted into a structure.

• Hole-buming.

What are major problems that need to be addressed in landscape modeling?

• Experimental: How can we determine the energy landscape of a protein?

• What is the hierarchy?

• What are the probes?

• Single molecule dynamics.

• Theory: Applications of replica symmetry breaking to describe energy landscapes. Application of equilibrium concepts to non-equilibrium concepts. Time dependent energy landscapes.

Workshops

Need to bring together people who are NOT doing proteins who could benefit from concepts of energy

landscapes.

• Landscapes and Aging, (J. P. Bouchand, M. Weissman)

• Landscapes and Function, Garcia, J. Berendzen)

• Landscapes and Self-assembly, (Z. Luthey-Schulten, R, Nuzzo)

Collective behavior: structure and dynamics - Alan Bishop, Leader

Key questions and research themes

Multiscale systems near instabilities

New experimental techniques

Making new materials that include:

• (Q)CP: interactions and disorder

• Ordering (spin, charge, lattice)

• Glassy behavior, aging

• Finite systems

• Externally and internally driven transitions

Quantum vs. classical collective behavior

Workshops

Next generation manipulation and measuring of complex materials

• Manipulation of molecules on atomic scales

• Probing collective behavior at finite scales/sizes

• Probing electronic structure, (S. Chu, D. Chemla, A. Taylor, Crommie, Z. X. Shen, G., Boebinger)

Crossovers and critical behavior in complex materials

• Low frequency collective behavior

• Glassy dynamics

• Measurements, (Millis, Wolynes)

 Inorganic -organic materials

• Multiscale behavior

• Structure and control at different scales, (Allan Heeger)

• Los Alamos based nucleus

• In areas where Los Alamos is established

• Resonance with the external community

• Bringing in graduate students and postdocs

• Los Alamos internal support

Next steps

• Steering committee

• Proposals

• Los Alamos funded workshops

Probes of complex adaptive matter: Greg Boebinger, Leader

ICAM structure

ICAM must do experiments.

Experimentalists and theorists have different needs.

Experimentalists need:

• Equipment

• Longer timescale

• Postdoc/student as exchange particle

ICAM must solve some endemic problems in support of science.

Interdisciplinary work

Multi-supervisors for postdoc/student

Short turnaround time for glue money

• Discover areas of interest and strike
• Funding of postdoc/student
• Funding of instrumentation

Glue money decisions made by"beam time" committee, rapid, scientifically informed, not salaryburdened.

Rotating personnel and topics of study.

Timeline:

• Workshop to identify topic of materials probes.

• Seek, fund materials growth at whatever institution.

• Identify experimentalists.

• Develop budget manpower needs.

• "Year of the topic of choice at ICAM", then repeat.

Workshops -Probes "R" Us

Tutorial workshop/summer school on currently available CAM techniques/facilities

• Make connections between techniques and what they measure.
• Response function theory linked to measurements.
• Identify connections between techniques and perhaps gaps.
• Future needs, (J. Orenstein)

Next generation CAM probes

• What problems need to be solved that require new techniques?
• What probes are needed?
• How do we develop such probes?

CAM questions

How can those of us who know about potentially interesting techniques

transmit their capabilities to potential users?

How do national facilities play a role in ICAM (LANSCE, NHMFL, ALS,

SSRL, APS, NSLS, NIST, SNS, NCEM, etc.)?

How to go beyond model of "theory institutes (ITP, Aspen, etc.) to include

experimentalists?

• Non-linear optics
• Spatially resolved probes
• Time resolved optics
• Materials processing/growth
• Materials characterization
• Magnetic fields
• Neutrons
• X-rays
• Photons
• Computing
• Probes in water
  

Adaptive atoms and molecules: Zachary Fisk, Leader

Adaptive atoms: Mixed valence bridging hard-condensed matter and biological and environmental systems.

Key questions

• How is mixed valence in hard condensed matter re lated/re levant to mixed valence in soft materials?

• What are time scales? Relation to dynamics of molecules.

• What are properties of mixed valence clusters?

• What is relevance of disorder to mixed valence properties?

Relevant exgerimental probes

Time resolved spectroscopies

• Optics (including synchrotrons)
• Neutrons

NMR microscopy
SEXAFS
Surface structure imaging
AFM (including in aqueous environment)
ESR

Workshop

Less than 20 for two weeks.

Focused via idea of producing a critical review and evaluation of the question: What is the relationship and relevance of mixed valence phenomena in hard-condensed matter and biological and environmental systems? (D. Cox, A. Shreve)