Higher Order Cauchy-Born Rule Based Study of Chiral Single-Walled Carbon Nanotubes
Higher Order Cauchy-Born Rule Based Study of Chiral Single-Walled Carbon Nanotubes
复制标题
基于高阶柯西玻生规则的手性单壁碳纳米管研究
DOI：
10.1166/jctn.2009.1220
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发表时间：
2009-07
影响因子：
--
通讯作者：
Zhang, H. W.
中科院分区：
文献类型：
--
作者：
Guo, X.;Wang, J. B.;Zhang, H. W.
The Young's moduli, shear moduli and the radial strain induced torsion response of chiral single walled carbon nanotubes are investigated systematically using a nanoscale continuum theory based on higher order Cauchy-Born rule. The computational results indicate that the Young's moduli and shear moduli of chiral SWCNTs increase with increasing tube radius and converge to the corresponding limit values of graphite sheet. The chirality-dependence of Young's moduli and shear moduli is not significant. The size-dependent strain energy per atom relative to a graphite sheet is insensitive to tube chirality, which is consistent with the existing atomistic calculations. The radial strain induced torsion is limited to chiral single-walled carbon nanotubes and is maximum for nanotube with chiral angle of /12. Chirality and size dependence of the radial strain induced torsion is also analyzed in detail, respectively.
