Multi-Scale Phase Field Simulation of Disorder-Order Transition, Combined with Cluster Variation and Path Probability Methods

Abstract

Multi-scale simulation of ordering process from electronic, atomistic scales to microstructural scale was carried out by hybridizing Phase Field Method (PFM) and Cluster Variation Method (CVM). The hybrid model was applied to disorder-L10 ordering process in Fe-Pd system. Furthermore, computation of relaxation constants in the PFM was attempted based on Path Probability Method (PPM) which is the time evolution version of the CVM, within a linearized analysis of order-order relaxation process.