Mobility and diffusivity in a generalized Frenkel-Kontorova model

Preprint

12 April 1996

preprint
Published by arXiv in arXiv

https://doi.org/10.48550/arXiv.patt-sol/9604003

Abstract

Molecular dynamics simulations are used to investigate the atomic mobility and diffusivity of a generalized Frenkel-Kontorova model which takes into account anharmonic (exponential) interaction of atoms subjected to a three-dimensional substrate potential periodic in two dimensions and nonconvex (Morse) in the third dimension. The numerical results are explained by a phenomenological theory which treats a system of strongly interacting atoms as a system of weakly interacting quasiparticles (kinks). Model parameters are chosen close to those for {\bf K}-{\bf W}(112) adsorption system.

Keywords

GENERALIZED FRENKEL KONTOROVA
FRENKEL KONTOROVA MODEL
MOLECULAR DYNAMICS
KONTOROVA MODEL
ADSORPTION
MOBILITY

All Related Versions

Version 1, 1996-04-12, ArXiv
Published version: Physical Review B, 54 (1), 321.

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