Mechanical properties of carbon nanotube by molecular dynamics simulation

被引：103
|
作者：
Yao, ZH [1 ]
Zhu, CC [1 ]
Cheng, M [1 ]
Liu, JH [1 ]
机构：
[1] Xi An Jiao Tong Univ, Dept Elect Engn, Xian 710049, Peoples R China
来源：
COMPUTATIONAL MATERIALS SCIENCE | 2001年 / 22卷 / 3-4期
基金：
中国国家自然科学基金;
关键词：
carbon nanotube; molecular dynamics; Young modulus;
D O I：
10.1016/S0927-0256(01)00187-2
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The mechanical properties of single-walled carbon nanotube (SWCNT) are computed and simulated by using molecular dynamics (MD) in this paper. From the MD simulation for an armchair SWCNT whose diameter is 1.2 nm and length is 4.7 nm, we get that its Young modulus is 3.62 TPa, and tensile strength is 9.6 GPa. It is shown that the Young modulus and tensile strength of armchair SWCNTs are 1 similar to2 order higher than those of ordinary metal materials. Therefore we can draw a conclusion that carbon nanotubes (CNT) belong to a particular material with excellent mechanical properties. (C) 2001 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：180 / 184
页数：5
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