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To gather computational materials scientists and experimentalists to discuss material nanostructure with applications to alternative energy.
| Introduction and Welcome | Daniel Josell, NIST |
| photovoltaics | |
| 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 |
| batteries | |
| 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 |
| nanowires | |
| 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 |
| whiskers | |
| 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 |
Created October 8, 2010, Updated September 21, 2016