Cellular automaton model for substitutional binary diffusion in solids

Abstract

We use the cellular automaton (CA) approach to model binary diffusion in solids. We define an asynchronous CA model and formally take its continuum limit and show it approaches a differential equation model derived in previous work (Ribera, Wetton, and Myers, 2019, arXiv:1911.07359 [cond-mat.stat-mech]) that exhibits the Kirkendall effect. The framework allows the exploration of other state change rules based on additional physical mechanisms.