A General Model of Interfacial Chemical Equilibrium in Phase-Field Method

Abstract

We report a new approach to interfacial equilibria among multiple solution phases in the phase-field method. It employs auxiliary non-conserved variables to describe the composition differences among different phases, and their temporal evolution is driven by the differences among different chemical diffusional potentials. It is reduced to the Wheeler-Boettinger-McFadden (WBM) model of equal interfacial chemical compositions and to the Kim-Kim-Suzuki (KKS) model of equal interfacial chemical diffusion potentials as two limiting cases. It can directly incorporate thermodynamic databases without any further approximations and simplifications. It is generally applicable to a wide range of problems involving composition evolution and chemical equilibria, including processes such as interdiffusion between two ordered phases not sharing any common composition range, which would pose difficulty to the existing treatments using WBM and KKS models.