Elastic properties of imperfect single-walled carbon nanotubes under axial tension
Elastic properties of imperfect single-walled carbon nanotubes under axial tension
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DOI：
10.1016/j.commatsci.2010.04.037
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发表时间：
2010-06
影响因子：
3.3
通讯作者：
C. Wong
中科院分区：
文献类型：
--
作者：
C. Wong
采用分子动力学模拟方法研究了不完全扶手型和锯齿型单壁碳纳米管在轴向拉伸作用下的弹性性能。将不同尺寸、不同位置的空位缺陷重构为碳纳米管，得到其杨氏模量、抗拉强度和抗拉破坏应变等弹性性能，并与结构完美的碳纳米管进行比较。仿真结果表明，弹性性能对空位缺陷的位置比对空位缺陷的大小更敏感。碳纳米管的杨氏模量、抗拉强度和抗拉破坏应变在碳纳米管的横截面上有明显的下降。本文还报道了碳纳米管的直径效应。
The elastic properties of imperfect armchair and zig-zag single-walled carbon nanotubes under axial tension are studied by molecular dynamics simulations. Vacancy defects of different sizes and at different locations are reconstructed into carbon nanotubes and their elastic properties such as the Young’s modulus, tensile strength and tensile failure strain are obtained and compared with their perfectly structured counterparts. Simulation results indicate that the elastic properties are more sensitive to the location than to the size of the vacancy defects. Young’s modulus, tensile strength and tensile failure strain of a carbon nanotube suffer significant degradation when the vacancy defects are located along the traverse direction. The diameter effects of the carbon nanotubes are also reported in this work.