摘要
用分子动力学方法研究了在"拉伸"和"悬臂梁"两种模型下单壁碳纳米管的力学性质。通过对扶手椅形式的单壁碳纳米管进行分子动力学计算,得出半径在0.35nm^0.69nm之间的碳纳米管的杨氏模量在1.32623Tpa^1.03947TPa范围内波动。从模拟结果可以看出,在"拉伸"和"悬臂梁"两种模型下得到的单壁碳纳米管的杨氏模量不但在数值上有所差异,而且随其半径的变化趋势相反。
In this paper, the mechanical properties of single- walled carbon nanotubes （SWCNTs） under ＂axial tension＂ and ＂cantilever beam＂ models are investigated using molecular dynamics （ME）） simulation method. After the ME） simulation to several selected armchaired SWCNTs whose radius range from 0.35nm to 0.69nm, we find that the Young＇s modulus from 1. 32623 TPa to 1. 03947 TPa. The computational results show that the values of the young＇s modulus of SWCNTs are different, and the variation trend with radius is quite opposited by different models.
出处
《西安邮电学院学报》
2008年第1期149-152,共4页
Journal of Xi'an Institute of Posts and Telecommunications
关键词
碳纳米管
杨氏模量
分子动力学
carbon nanotubes
Young＇s modulus
molecular dynamics simulation
