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NIST Workshop on Wires, Whiskers and Walls: Energy Applications at the Nanoscale


To gather computational materials scientists and experimentalists to discuss material nanostructure with applications to alternative energy.


Introduction and Welcome Daniel Josell, NIST
Three-Dimensionally Structured Thin Film Photovoltaics
Daniel Josell, NIST
A promising nanomaterial for solar energy harvest: graphitic carbon nitride nanotubes Yong Wei Zhang, A*STAR/IHPC
III Nitride Nanopyramids for LED Applications R. Edwin García, Purdue U
Integrating material properties and microstructures into battery failure modeling Yue Qi, GM
Electrochemical Shock in Polycrystalline Lithium Storage Materials William Woodford, MIT
Overpotential-Dependent Phase Morphology in Olivine Li-Insertion Electrode Particles Ming Tang, LLNL
fuel cells and H2 storage

Phase Field Model of Chemical Reactions with an Example of a Solid Electrolyte Gas Sensor Daniel Lewis, RPI
Materials for Hydrogen Storage
Leo Bendersky, NIST
Semiconductor nanowires: challenges and opportunities Albert Davydov, NIST
Probing the properties of faceted solid-liquid interfaces by molecular-dynamics simulations Mark Asta, UC Berkeley
Atomic-scale Simulations of Gold-Catalyzed VLS growth of Si Nanowires Moneesh Upmanyu, Northeastern U
Droplet dynamics during vapor-liquid-solid growth Peter Voorhees, Northwestern U
Phase-Field Model of Nanowire Growth Nan Wang, Northeastern U
Atomistic simulation of hillock growth due to stress Bill Boettinger, NIST
What Should be the Basis of a Model for Tin Whisker Nucleation and Growth? Carol Handwerker, Purdue U
grain boundaries and interfaces

Phase-field modeling of microstructure formation during alloy coring
Jim Belak, LLNL
Molecular Dynamics Simulations of the Cavitation Pressure in Al Jeff Hoyt, McMaster U
Upper Tails in Grain Size Distributions
Tony Rollett, Carnegie-Mellon U
Effect of anisotropy on interface populations during grain growth Debashis Kar, Carnegie-Mellon U
Phase-Field-Crystal Study of Grain Boundary Shearing Ari Adland, Northeastern U
Interaction of grain boundaries with voids: A correction to Zener-Smith Stephen Foiles, Sandia NL
Effects of twin boundaries on crystal growth Jae-Wook Lee, KIMS/ORNL
Grain Boundary Energies: Comparison of Experimental and Computed Values David Olmsted, UC Berkeley
Liquid nuclei at superheated grain boundaries Timofey Frolov, George Mason U
Statistical effects in small scale plasticity Jamie Morris, ORNL
Interfacial properties and phase equilibrium of Cu-Pb mixtures Pablo Palafox, U of Kansas



Start Date: Thursday, September 30, 2010
End Date: Friday, October 1, 2010
Location: Gaithersburg/Lecture Room E
Audience: Industry, Government, Academia
Format: Workshop

Technical Contact:

Jonathan E. Guyer

301-975-5329 Telephone
301-975-4553 Facsimile

100 Bureau Drive, M/S 6555
Gaithersburg, MD 20899-6555