Transactions of Nonferrous Metals Society of China The Chinese Journal of Nonferrous Metals

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中國有色金屬學報(英文版)

Transactions of Nonferrous Metals Society of China

Vol. 12    No. 5    October 2002

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Atomic simulation of amorphization and crystallization
of Ag50Au50 alloy during rapid solidification
WANG Li(王  麗)1 , YANG Hua(楊  華)1, ZHANG Jun-yan(張均艷)1 ,
BIAN Xiu-fang(邊秀房)1, YI Su(衣  粟)2

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

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

ISSN 1004-0609
CN 43-1238/TG
CODEN: ZYJXFK

ISSN 1003-6326
CN 43-1239/TG
CODEN: TNMCEW

主管:中國科學技術協(xié)會 主辦:中國有色金屬學會 承辦:中南大學
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