Mesoscale simulations of the kinetics of solid–solid phase transformations: Selecting the relevant interfacial compositions for shape-preserved growth

A brief overview of the current state-of-the-art in choosing the interfacial compositions (or boundary conditions), for mesoscale, diffusion-controlled phase transformations, as practiced by the numerical metallurgy community, is presented. The physical processes that are currently thought to influence these values and the assumptions underlying the most common choices for the interfacial compositions are outlined. The need for a properly coupled, multiscale approach, that uses mesoscale simulation techniques to describe diffusion in the bulk phases, and atomistic simulation tools to describe the processes occurring within the interface (that influence the boundary conditions for the diffusion problem), is highlighted.