Monte Carlo simulation of ordering in fcc-based stoichiometric A 3B and AB solid solutions

Abstract

Regions of allowed combinations of low-index short range ordering (SRO) parameters in stoichiometric A 3B and AB compounds are studied on the basis of pairwise interactions. The interconnection between the Clapp–Moss diagrams and the plots of allowed states in SRO parameter space is discussed. The evolution of SRO parameters during ordering starting from a disordered state is obtained by Monte Carlo simulation using an Ising model with first and second-nearest neighbour pairwise interaction parameters. The dependence of the evolution paths on composition and pairwise interaction parameters is discussed.