Phase-Field Crystal Modelling of Deformation Behavior in Grain Growth

Abstract

Simulation methods have been developed to study material microstructure and manufacturing process. In phase-field modelling, a phase-field crystal method is a powerful tool for microstructural evolution simulation across multiple scales. Using the parameters fitted for a specific material, the actual material property can be simulated mathematically. In this study, the deformation behavior during grain growth is simulated using a phase-field crystal simulation method. Body-centred cubic Fe is selected as a case study. Simulation results show that strain affects the form and length of grain boundaries and the structure of the grains, which can be explained in the energy perspective as extra energy obtained by the system from the strain. The study indicates the potential application of the phase-field crystal simulation method in the additive manufacturing industry, which will reduce cost and time and help design new material.