固/液界面动力学的分子动力学模拟研究进展

Solidification is a common phase transition process from liquid to solid in nature, and the study of the migration kinetics of solid/liquid interfaces directly affects the development of non-equilibrium solidification theory. Due to experimental limitations, it is difficult to directly investigate the atomic behavior adjacent on the S/L interface in-situ. With the continuous deepening of molecular simulation theory, the molecular dynamics simulation technology (MD) developed on this basis provides a new approach for the study of non-equilibrium dynamic process, such as solid/liquid interface migration and the development of related theories. In this article, a brief introduction is given to the method of molecular dynamics simulation for the migration dynamics of solid/ liquid interface. Subsequently, the molecular dynamics simulation research progress on solid/liquid interface migration dynamics of pure substances, binary alloys, and multi principal component alloys was systematically introduced. Finally, the importance of molecular dynamics simulation technology in the study of solid/liquid interface migration was summarized, and the future development of molecular dynamics simulation in the field of solidification was discussed.