Atomic simulation of amorphization and crystallization of Ag_(50)Au_(50) alloy during rapid solidification

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 Ag_(50)Au_(50) were performed. The atoms interact via EAM potential function. Pair correlation functions of liquid Ag_(50)Au_(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_(50)Au_(50) during cooling processes were performed.