Energetic and structural evolution of gold nanowire under heating process: A molecular dynamics study

被引：14
作者：
Zhang, Yang
Wen, Yu-Hua [1 ]
Zheng, Jin-Cheng
Zhu, Zi-Zhong
机构：
[1] Xiamen Univ, Dept Phys, Xiamen 361005, Peoples R China
来源：
PHYSICS LETTERS A | 2009年 / 373卷 / 38期
基金：
中国国家自然科学基金;
关键词：
Nanowire; Thermal properties; Atom-thick chain; Molecular dynamics; PLATINUM NANOPARTICLES; METALLIC NANOWIRES; BEHAVIOR; DEFORMATION; NANOTUBES; SIZE;
D O I：
10.1016/j.physleta.2009.07.040
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The energetic and structural evolution of a squared gold nanowire under heating process is investigated via molecular dynamics with many-body potential. The simulations reveal that the nanowire undergoes distinct energetic and structural developments during the following four heating processes: low temperature, melting, breaking and high temperature. The cross-section of nanowire is found to change from a square to a circle shape with rising temperature at first. A neck is then found to be initiated above the overall melting point, followed by the formation of a two- to five-atom-thick chain structure before the breaking of neck. The nanowire transforms to a spherical cluster after the final breaking. (C) 2009 Elsevier B.V. All rights reserved.
引用
收藏
页码：3454 / 3458
页数：5
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