By means of constant temperature and constant pressure molecular dynamic simulation technique, a series of simulations of the glass transition and crystallization processes of Ag 50Au 50 were performed. The atoms inte...By means of constant temperature and constant pressure molecular dynamic simulation technique, a series of simulations of the glass transition and crystallization processes of Ag 50Au 50 were performed. The atoms interact via EAM potential function. Pair correlation functions of liquid Ag 50Au 50 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 Ag 50Au 50 during cooling processes were performed.展开更多
文摘By means of constant temperature and constant pressure molecular dynamic simulation technique, a series of simulations of the glass transition and crystallization processes of Ag 50Au 50 were performed. The atoms interact via EAM potential function. Pair correlation functions of liquid Ag 50Au 50 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 Ag 50Au 50 during cooling processes were performed.
