Incorporating diffuse-interface nuclei in phase-field simulations

We propose a computational framework for incorporating diffuse-interface critical nuclei in phase-field simulations. Using a structural transformation as an example, we first generate a table of diffuse-interface critical nuclei. We then incorporate them in phase-field simulations through the explicit nucleation algorithm. The temporal growth kinetics of the introduced nuclei is obtained by numerically solving the Allen–Cahn equation. The results are analyzed by comparing to the phase transformation kinetics using the classical nucleation and normal growth theory and the Kolmogorov–Johnson–Mehl–Avrami equation.