The Vibration of a Linear Carbon Chain in Carbon Nanotubes

被引:10
作者
Ding, Dongqing [1 ]
Zhao, Yang [1 ]
Dong, Shuhong [1 ]
Yu, Peishi [1 ]
Wang, Liqiang [1 ]
Zhao, Junhua [1 ]
机构
[1] Jiangnan Univ, Jiangsu Key Lab Adv Food Mfg Equipment & Technol, Wuxi 214122, Peoples R China
基金
中国国家自然科学基金;
关键词
carbon chain; vibration; carbon nanotube; van der Waals interactions; MODEL; CARBYNE;
D O I
10.3390/ma10050478
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
An explicit solution for the vibration of a carbon chain inside carbon nanotubes (CNTs) was obtained using continuum modeling of the van der Waals (vdW) interactions between them. The effect of the initial tensile force and the amplitude of the carbon chain as well as the radii of the CNTs on the vibration frequency were analyzed in detail, respectively. Our analytical results show that the vibration frequency of the carbon chain in a (5,5) CNT could be around two orders of magnitude higher than that of an independent carbon chain without initial tensile force. For a given CNT radius, the vibration frequency nonlinearly increases with increasing amplitude and initial tensile force. The obtained analytical cohesive energy and vibration frequency are reasonable by comparison of present molecular dynamics (MD) simulations. These findings will be a great help towards understanding the vibration property of a nanowire in nanotubes, and designing nanoelectromechanical devices.
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页数:7
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