INVESTIGADORES
BULNES Fernando Manuel
artículos
Título:
Collective Surface Diffusion: n-fold way kinetic Monte Carlo Simulation
Autor/es:
F. BULNES; V. PEREYRA; J. L. RICCARDO
Revista:
PHYSICAL REVIEW E - STATISTICAL PHYSICS, PLASMAS, FLUIDS AND RELATED INTERDISCIPLINARY TOPICS
Editorial:
The American Physical Society, APS
Referencias:
Lugar: USA; Año: 1998 vol. 58 p. 86 - 92
ISSN:
1063-651X
Resumen:
Collective surface diffusion of strongly interacting particles is simulated on the basis of a n-fold way kinetic Monte Carlo scheme (nfwMC). 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 MC 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.
