Simulation of the decomposition of binary alloys on the basis of the free energy density functional method

Abstract

The simulation of the decomposition of a three-dimensional fragment of a solid solution satisfying the regular solution approximation has been carried out based on the Cahn–Hilliard equation taking into account the Gaussian fluctuations of the initial state of the alloy. The simulation has been performed for several temperatures and revealed the existence of four stages (nucleation, growth, coagulation, and coalescence) of the process. The influence of the temperature on the distribution of phases during the decomposition of binary alloys has been established, and the specific features in the change of stages of the decomposition process have been revealed.