Jim Lutsko

Jim Lutsko

My interests include Statistical Physics; Crystallization; Density Functional Theory, Simulation methods - particularly rare event techniques, Protein physics, Granular physics and Crystal Growth. I am based in the Physics of Complex Systems and Statistical Mechanics group at the Universite Libre de Bruxelles.

[008] Stress and elastic constants in anisotropic solids: Molecular dynamics techniques

James F. Lutsko, "Stress and elastic constants in anisotropic solids: Molecular dynamics techniques", J. App. Phys., 64, 1152 (1988)

Abstract

The local stress tensor commonly used in statistical mechanics is cast in a form useful for molecular dynamics (MD) simulations. It is then used to derive fluctuation formulas for the local elastic constants of a system. The formulas are used in an MD measurement of the local elastic constants of an ideal crystal which are found to be in good agreement with the bulk elastic constants of the same system.