Molecular Dynamics Simulation of the Rapid Solidification of Liquid Zinc

摘要

Molecular dynamics simulation based on the Morse potential is carried out to investigate the rapid solidification of Zn. Radial distribution function, the energy analysis, Voronoi polyhedral structure analysis are used to analyze the microstructure evolution of solidification process. The results showed that amorphous structure formed when the cooling rate exceeded 2.5x1012K/s;;crystal formed when the cooling rate less than 7.0x101 lK/s;;complex structure formed when the cooling rate was between7.0 x 101 lK/s and 2.5><1012K/s.