Special Physics Seminar

Modeling Non-Equilibrium Microstructure Formation in Materials From Continuum to Atomic Scales

Nikolas Provatas

McMaster University

We begin with a review of new computational work for quantitative modeling of non-equilibrium phase transformations using phase field methods. Their success in predicting solidification microstructures under steady state and transient conditions is demonstrated. This is followed by an introduction to the recent “phase field crystal” (PFC) methodology, which incorporates elastic and plastic effects emergent from the atomic scale into traditional phase field modeling. We present our latest developments in PFC research in multi-phase solidification and solid-state transformations in metals. We end with a review of our recent work to analytically derive traditional phase field models from microscopic principles using classical density functional theory.