Free Energy Functionals for Efficient Phase Field Crystal Modeling of Structural Phase Transformations
Free Energy Functionals for Efficient Phase Field Crystal Modeling of Structural Phase Transformations
The phase field crystal (PFC) method is a promising technique for modeling materials with atomic resolution on mesoscopic time scales. While numerically more efficient than classical density functional theory (CDFT), its single mode free energy limits the complexity of structural transformations that can be simulated. We introduce a new PFC …