Atomic simulation of amorphization and crystallization
of Ag50Au50 alloy during rapid solidification
of Ag50Au50 alloy during rapid solidification
(1. The Key Laboratory of Liquid Structure and Heredity of Materials,
Ministry of Education, Shandong University, Ji′nan 250061, China;
2. Shandong Research and Inspect Institute of Boiler and Pressure Container, Ji′nan 250013, China)
Ministry of Education, Shandong University, Ji′nan 250061, China;
2. Shandong Research and Inspect Institute of Boiler and Pressure Container, Ji′nan 250013, China)
Abstract: 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.
Key words: molecular dynamic simulation; liquid Ag50Au50; structural features; thermodynamics and kinetics