Monday, May 12

3:00 PM-4:30 PM
Chair: Mitchell Luskin, University of Minnesota, Minneapolis
Peale C Room

CP1
Automatic Scale Modeling

3:00-3:12 Large Scale Atomic Simulations of the Energetics and Core Structures of Dislocations in hcp Metals

Govind Rengarajan, Texas A & M University, College Station; James R. Morris and K. M. Ho, Iowa State University; and Man H. Yoo, Oak Ridge National Laboratory

3:15-3:27 Effects of Faceting on the Shapes of Moving Voids

Lisa K. Wickham and James P. Sethna, Cornell University

3:30-3:42 Convective-Diffusive Models of Thermocapillary Flows

Adil A. Khan and Yonathan Shapir, University of Rochester; and Yitzhak Shnidman, Eastman Kodak Company

3:45-3:57 Molecular-Scale Modeling of Adsorption in Microporous Materials Using a Hybrid Analytical/Numerical Method

Robert H. Nilson and Stewart K. Griffiths, Sandia National Laboratories, Livermore

4:00-4:12 Large Picosecond Atomic Energy Fluctuations in Solids as Natural Nanoscale Engines for Materials Changes, Modeling and Applications

Yu.L. Khait, Solid State Institute, Technion-Israel Institute of Technology, Israel

4:15-4:27 Ab-initio Calculation of Atomic Forces, Surface Relaxation, Strain and Magnetic Moment of Fe/W(100) and Fe/W(100) Monoplayers

Iskander G. Batirev, Russian Academy of Sciences, Russia; and Tamio Oguchi, Hiroshima University

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