Collective surface diffusion: n-fold way kinetic Monte Carlo simulation

BULNES, F.M.; PEREYRA, V.D.; RICCARDO, J.L.

PHYSICAL REVIEW E - STATISTICAL PHYSICS, PLASMAS, FLUIDS AND RELATED INTERDISCIPLINARY TOPICS

American Physical Society

Año: 1998 vol. 58 p. 86 - 92

1063-651X

Collective surface diffusion of strongly interacting particles is simulated on the basis of an [Formula Presented]-fold way kinetic Monte Carlo scheme. The coverage dependence of the jump and tracer diffusion coefficients is calculated for one- and two-dimensional lattice gases at very low (subcritical) temperatures. Results are compared with exact analytical ones and Monte Carlo simulations using the standard Metropolis algorithm. The method proves to be highly reliable to investigate surface diffusion at subcritical temperatures where phase coexistence in the adlayer occurs. © 1998 The American Physical Society.