Microstructure simulations within the Lattice Statics formalism: elasticity and morphologies at the atomic scale

Abstract

ABSTRACTIn this paper, the Lattice Statics formalism is used to perform Monte Carlo simulations of alloy microstructures when elastic effects are present. It provides sets of long-range effective pair interactions (EPIs), defined in a rigid average reference state, that allow us to compute microstructural evolutions on diffusion time scale. A wide composition range is investigated in order to characterize the different precipitation processes with elasticity (nucleation and growth, spinodal decomposition). An advantage of the approach is to include the concentration dependence of both the effective chemical interactions and the elastic properties of the reference state. The importance of this point is illustrated by comparing the precipitation sequences in two alloys with symmetric average concentrations.