Molecular dynamics simulation of structural changes of Ag965 clusters during freezing

被引:0
作者
Xia, J. H. [1 ,2 ]
Cheng, Z. F. [1 ]
Xiao, Xu-yang [1 ]
机构
[1] Chongqing Univ Arts & Sci, Dept Phys, Chongqing 402160, Peoples R China
[2] Chongqing Univ Arts & Sci, Res Ctr Mat Interdisciplinary Sci, Chongqing 402160, Peoples R China
来源
ADVANCED MATERIALS AND ENGINEERING MATERIALS II | 2013年 / 683卷
关键词
Molecular dynamics simulation; structural transition; Ag-965; BOND-ORIENTATIONAL ORDER; NANOCLUSTERS; BEHAVIOR; LIQUID; SIZE;
D O I
10.4028/www.scientific.net/AMR.683.348
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The structural transitions of Ag-965 clusters during two different quenching processes (Q1:1.0x10(14) Kis, Q2: 1.0x10(12) K/s) were studied using molecular dynamics simulations. This work gives the structure properties including the variations with temperature of pair-correlation function, bond-angle distribution function, bond pairs and bond orientational order parameters in both rapid quenching processes. Our results indicated that the liquid Ag-965 was frozen into amorphous structure at 100 K under the quenching condition Q1. While the liquid Ag-965 transformed to hexagonal close-packed (hcp) phase at the temperature 100 K under the quenching condition Q2.These instructions give you basic guidelines for preparing papers for conference proceedings.
引用
收藏
页码:348 / +
页数:2
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