Phase Field Calculations with CVM Free Energy within Square Approximation

Abstract

Phase Field Method is combined with the Cluster Variation Method within the square approximation, and the multiscale ordering behavior from atomistic to microstructural evolution process of ordered domains in the two dimensional square lattice is investigated. The transition temperature is determined at 1:1 stoichiometric composition and it is confirmed that the transition is of the second order. The growth process of the ordered domains is visualized and it is revealed that the sharp decrease of the free energy takes place during the process.