Crystallization of amorphous alloy during isothermal annealing: A molecular dynamics study

The crystallization process of a Ti-Al amorphous alloy during isothermal annealing was studied with molecular dynamics simulations. The structural development and phase transformation were analysed based on the variations of the internal energy, cell volume, radial distribution function, bond pairs, and atomic configuration. The crystal nucleation, grain growth, and grain coarsening during the crystallization process were studied. The three-stage feature of the crystallization process was identified. The simulation results also show that there are transformations from a metastable crystal phase to a more stable crystal phase during the crystallization.