首页 | 本学科首页   官方微博 | 高级检索  
     检索      


The elastic properties and energy characteristics of Au nanowires: an atomistic simulation study
Authors:Liu Shan-Shan  Wen Yu-Hua and Zhu Zi-Zhong
Institution:Department of Physics, and Institute of Theoretical Physics and Astrophysics, Xiamen University, Xiamen 361005, China
Abstract:This paper have performed molecular static calculations with the quantum corrected Sutten--Chen type many body potential to study size effects on the elastic modulus of Au nanowires with 100], 110] and 111] crystallographic directions, and to explore the preferential growth orientation of Au nanowires. The main focus of this work is the size effects on their surface characteristics. Using the common neighbour analysis, this paper deduces that surface region approximately consists of two layer atoms. Further, it extracts the elastic modulus of surface, and calculate surface energy of nanowire. The results show that for all three directions the Young's modulus of nanowire increases as the diameter increases. Similar trend has been observed for the Young's modulus of surface. However, the atomic average potential energy of nanowire shows an opposite change. Both the potential and surface energy of 110] nanowire are the lowest among all three orientational nanowires, which helps to explain why Au nanowires possess a 110] preferred orientation during the experimental growth proceeds.
Keywords:nanowire  elastic modulus  size effect  molecular static approach
本文献已被 维普 等数据库收录!
点击此处可从《中国物理 B》浏览原始摘要信息
点击此处可从《中国物理 B》下载免费的PDF全文
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号