Molecular dynamics study of mechanical properties of bismuth telluride nanofilm

Tong Y.Yu.; Yi F.; Liu L.Zhai P.Zhang Q.

首页> 外文期刊>Physica, B. Condensed Matter >Molecular dynamics study of mechanical properties of bismuth telluride nanofilm

【24h】

Molecular dynamics study of mechanical properties of bismuth telluride nanofilm

机译：

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相关主题

摘要

A molecular dynamics (MD) simulation has been carried out to evaluate the mechanical properties of Bi_2Te_3 nanofilm, and all the simulation results are compared with that of Bi_2Te_3 bulk. After the stable free-relaxation state has been obtained, the radial distribution function of Bi_2Te_3 nanofilm is computed to validate its crystal structure. The distributions of potential energy and stress along the thickness direction are obtained. It is found that the surface atoms possess high potential energy; the surface of the nanofilm undergoes tensile stress, while the inside undergoes compressive stress. Tension simulations have been conducted to evaluate the mechanical properties (including Young's modulus, ultimate strength and failure strain) of the nanofilm. The effects of surface, size, and temperature on the calculating results of Bi_2Te_3 nanofilm are discussed in detail.

著录项

来源
《Physica, B. Condensed Matter》 |2010年第15期|3190-3194|共5页
作者
Tong Y.Yu.; Yi F.; Liu L.Zhai P.Zhang Q.;
展开▼
作者单位

State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China;

Department of Engineering Structure and Mechanics, Wuhan University of Technology, Wuhan 430070, China;

展开▼
收录信息
原文格式 PDF
正文语种英语
中图分类物理学;
关键词
Bismuth telluride; Mechanical properties; Molecular dynamics simulation; Nanofilm; Thermoelectric material;

Molecular dynamics study of mechanical properties of bismuth telluride nanofilm

摘要

著录项

相关主题

期刊订阅