摘要

By means of constant temperature and constant pressure molecular dynamic simulation technique, a series of simulations of the glass transition and crystallization processes of Ag50Au50 were performed. The atoms interact via EAM potential function. Pair correlation functions of liquid Ag50Au50 during different cooling rates and temperatures were simulated to reveal the structural features of liquid, super-cooled liquid, glass state and crystal. The thermodynamics and kinetics of structure transition of Ag50Au50 during cooling processes were performed.