An improved Monte Carlo algorithm for phase separation simulation alloys

摘要

Monte Carlo (MC) simulation of phase transitions in condensed matter has been of special interest in the last decade [1-4]. Computational experiments are significant because they can yield exact information on mode systems which are precisely characterized. In contrast, analytic theory can provide the information only in rather rare cases and precise characterization of an experimental system is almost impossible. But the MC simulation of even quite a simple system always requires a lot of CPU time, so it has been a key problem to devise a time-saving algorithm for practical simulations, taking account of programming skills. Many excellent introductory and review articles have already been published on this problem [1, 3, 5-8]. Here I confine myself to MC simulation of the general dynamics of phase separation in alloys. As an example, I discuss MC models for phase separation of a bindary alloy in a two-dimensional lattice.