Mobility and diffusivity in a generalized Frenkel-Kontorova model
- 1 July 1996
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 54 (1) , 321-331
- https://doi.org/10.1103/physrevb.54.321
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 the K-W(112) adsorption system. © 1996 The American Physical Society.Keywords
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