Program overview

WEDNESDAY AFTERNOON, 27 AUGUST 1997

13:30 P1.01 Viscous Dynamics of Amorphous Systems: The Implications for Fracture

M.L. Falk, J.S. Langer (University of California, Santa Barbara)

13:42 P1.02 First-Principles Effective Hamiltonians for Piezoelectric Behavior

Eric Cockayne, Karin M. Rabe (Yale University)

13:54 P1.03 The tubule phase of a crystalline surface

Mark Bowick (Syracuse U.), Marco Falcioni (Suracuse U./UCLA), Gudmar Thorleifsson (Bielefeld, Germany)

14:06 P1.04 Calculating Potentials of Mean Force with a Nonlocal Density Functional Theory

Laura Douglas Frink, Andrew Salinger (Sandia National Laboratories)

14:18 P1.05 Theoretical Calculation of Ground State Geometry and Electronic Structure for Semiconducting Crystals and Polymers

Bradford K. Dickerson, Garett W. Yoder, An-Ban Chen (Auburn University)

14:30 P1.06 Computational Insights into Potential Automotive Catalysts

K. C. Hass (Ford Motor Co.)

13:30 P2.01 Meso-Scale and Macro-Scale Analysis of the Geochemical and Physical Processes Responsible for Acid Rock Drainage

Matthew Otwinowski (Department of Physics and Astronomy, The University of Calgary, and Synergetic Technology, Calgary, Canada)

13:42 P2.02 Numerical models of thermo-chemical convection in the Earth's mantle

Louise Kellogg (Department of Geology, University of California, Davis CA)

13:54 P2.03 Challenges for Computational Physics in Underground Imaging of Electrically Conducting Contaminant Plumes

James G. Berryman (Lawrence Livermore National Laboratory, Livermore, CA)

14:30 P2.04 Calculating Surface Reaction Enthalpies Using Gas Phase Clusters in a Born-Haber Cycle.

Martin A. Nygren, Furio Cora, David H. Gay, C. Richard A. Catlow (Royal Institution of Great Britain)

14:42 P2.05 Numerical Modeling of Ocean Acoustic Wavefields

Frederick Tappert (Applied Marine Physics, Rosenstiel School of Marine and Atmospheric Science, University of Miami, Miami, Florida, 33149)

14:54 P2.06 Irradiance Fluctuations in Optical Propagation through Atmospheric Turbulence

Stanley M. Flatté (Physics Department, University of California at Santa Cruz, Santa Cruz, CA 95064)

13:30 P3.01 Numerical Simulation of Fluid Transport in Complex Geometries

Nicos S. Martys (NIST)

14:06 P3.02 Heterogeneous Atomistic-Continuum Methods for Dense Fluid Systems

Nicolas Hadjiconstantinou, Anthony Patera (M.I.T)

14:18 P3.03 Lattice Gas Model for Immiscible Two Phases with Different Densities

Akira Tsumaya, Hirotada Ohashi (University of Tokyo)

14:30 P3.04 Lattice Boltzmann Simulations of Three Dimensional Droplet Breakup

Haowen Xi, Comer Duncan (Bowling Green State University)

14:42 P3.05 Performance Study and Applications of a Thermal LBGK model

Jian Huang, Da Hsuan Feng, Michel Vallieres (Physics Department, Drexel University), Yue-hong Qian (Department of Applied Physics, Columbia University), Bruce Fryxell (NASA/Goddard Space Flight Center), Xiao-wei He (Department of Mechanical Engineering and Mechanics, Drexel University)

P3.06

13:30 P4.01 Raman Scattering Calculations in 2D Antiferromagnetic Structures Using Alternative Operators

P. J. Freitas (UC Davis)

13:42 P4.02 Simulation of Dislocation Motion on the Mesoscopic Scale --- Relaxation of a Strained Layer

Klaus W. Schwarz (IBM Research, Yorktown Heights)

13:54 P4.03 SOC Behavior in Liquids and Nanocrystalline Materials

David J. Webb (UC Davis)

14:06 P4.04 Statistical Mechanics of a Multienergy Long-Range Lattice Gas Obey Semi-Detailed Balance

Jeffrey Yepez (Air Force Research Laboratory, Hanscom Field, Massachusetts)

14:18 P4.05 Combinatorial Optimization Techniques for Interfaces and Flux Lines in Disordered Materials

A. Alan Middleton, David McNamara (Syracuse University), Chen Zeng (Rutgers University)

14:30 P4.06 Melting phase transition of small metal clusters

Young Joo Lee, Sehun Kim (Korea Advanced Institute of Science and Technology)

14:42 P4.07 Symmetries of Crystalline Arrangements in Spherical 2D Lennard-Jones Systems

J.M. Voogd, P.M.A. Sloot (University of Amsterdam), R. van Dantzig (NIKHEF, The Netherlands)

14:54 P4.08 O(N) Method For Dislocation Dynamics In Anisotropic Media

Linyong Pang, D.M. Barnett, Huajian Gao (Stanford)