您目前所在的位置:首页 - 期刊简介 - 详细页面

铁道科学与工程学报

JOURNAL OF RAILWAY SCIENCE AND ENGINEERING

Vol. 18    No. 1    January 2008

[PDF Download]    

    

Formation and evolution properties of clusters in liquid metal copper during rapid cooling processes
YI Xue-hua(易学华)1, 2, LIU Rang-su(刘让苏)1, TIAN Ze-an(田泽安)1,HOU Zhao-yang(侯兆阳)1, LI Xiao-yang(李晓阳)1, ZHOU Qun-yi(周群益)1

1. Department of Physics, Hunan University, Changsha 410082, China;2. Department of Physics, Jiaying University, Meizhou 514015, China

Abstract:Based on the quantum Sutton-Chen many-body potential, a molecular dynamics simulation was performed to investigate the formation and evolution properties of clusters in liquid Cu with 50 000 atoms. The cluster-type index method(CTIM) was used to describe the complex microstructure transitions. It is demonstrated that the amorphous structures are mainly formed with the three bond-types of 1551, 1541 and 1431 in the system, and the icosahedral cluster (12 0 12 0) and other basic polyhedron clusters of (12 2 8 2), (13 1 10 2), (13 3 6 4), (14 1 10 3), (14 2 8 4) and (14 3 6 5) play a critical and leading role in the transition from liquid to glass. The nano-clusters formed in the system consist of some basic clusters and middle cluster configurations by connecting to each other, and distinguish from those obtained by gaseous deposition and ionic spray. From the results of structural parameter pair distribution function g(r), bond-types and basic cluster-types, it is found that the glass transition temperature Tg for liquid metal Cu is about 673 K at the cooling rate of 1.0×1014 K/s.

 

Key words: liquid metal Cu; microstructure transition; nano-cluster; molecular dynamics simulation; QSC many-body potential

ISSN 1672-7029
CN 43-1423/U

主管:中华人民共和国教育部 主办:中南大学 中国铁道学会 承办:中南大学
湘ICP备09001153号 版权所有:《铁道科学与工程学报》编辑部
------------------------------------------------------------------------------------------
地 址:湖南省长沙市韶山南路22号 邮编:410075
电 话:0731-82655133,82656174   传真:0731-82655133   电子邮箱:jrse@mail.csu.edu.cn