Icosahedral medium-range order formed in Mg70Zn30 metallic glass: a larger-scale molecular dynamics simulation

被引:1
作者
侯兆阳 [1 ]
刘让苏 [2 ]
田泽安 [2 ]
王晋国 [1 ]
机构
[1] College of Science, Xidian University
[2] School of Physics and Microelectronics Science, Hunan University
基金
中国国家自然科学基金;
关键词
molecular dynamics simulation; medium-range order; Mg70Zn30 metallic glass;
D O I
暂无
中图分类号
O481 [固体理论];
学科分类号
070205 ; 0805 ; 080502 ; 0809 ;
摘要
A larger-scale Mg70Zn30 alloy system including 100000 atoms has been simulated by using the molecular dynamics method to investigate the icosahedral medium-range order (IMRO) formed in the Mg70Zn30 metallic glass. It is found that the simulated pair distribution function of Mg70Zn30 metallic glass is in good agreement with the experimental results. The glass transition temperature Tg is near 450 K under the cooling rate of 1×1012 K/s. The icosahedral local structures play a critical role in the formation of metallic glass, and they are the dominant local configurations in the Mg70Zn30 metallic glass. The IMRO in the Mg70Zn30 metallic glass is characterized by certain types of extended icosahedral clusters combined by intercross-sharing atoms in the form of chains or dendrites. The size distributions of these IMRO clusters present a magic number sequence of 19, 23, 25, 27, 29, 31, 33, 35, 37, 39,. . . , and the magic clusters can be classified into three types according to their compactness. The IMRO clusters grow rapidly in a low-dimensional way with cooling, but this growth is limited near Tg.
引用
收藏
页码:346 / 352
页数:7
相关论文
共 3 条
  • [1] Medium-range order clusters in metal melts[J] . Xiufang Bian,Pan Xuemin,Qin Xubo,Jiang Minhua.Science in China Series E: Technological Sciences . 2002 (2)
  • [2] K.F. Kelton,A.K. Gangopadhyay,T.H. Kim,G.W. Lee. Journal of Non crystalline Solids . 2006
  • [3] Liu H R,Liu R S,Zhang A L,Hou Z Y,Wang X,Tian Z A. Chinese Physics . 2007