Dynamic Monte Carlo with a proper energy barrier: Surface diffusion and two-dimensional domain ordering

Abstract

A new model is presented and discussed that allows Monte Carlo simulations to be carried out with a proper energy barrier crossing. Results are presented for the surface diffusion coefficient and the growth exponent of domain ordering of a half-monolayer of adatoms experiencing nearest- and next-nearest-neighbor repulsive lateral interactions (equal in magnitude), both on a square lattice. The results are compared with those derived using both Kawasaki dynamics and a Metropolis walk. The reasons why neither of the latter methods can be expected, in general, to describe thermally excited, time-dependent phenomena are explained and discussed.