LAUSR

Abstract To achieve a highly accurate and efficient prediction of polycrystalline grain growth, we propose a method to bridge atomistic and continuum-based simulations by converting molecular dynamics-generated atomic configurations into interfacial profiles of the phase-field model. This method enables us to perform phase-field grain growth simulations in succession to molecular dynamics nucleation simulation. Using the present method, molecular dynamics and phase-field grain growth simulations from the same initial structure are carried out and directly compared. The results of each simulation exhibit a similar tendency in terms of grain morphology and grain growth kinetics, but only after an initial short duration.