Ding Dongqing, Zhao Yang, Dong Shuhong, Yu Peishi, Wang Liqiang, Zhao Junhua
Jiangsu Key Laboratory of Advanced Food Manufacturing Equipment and Technology, Jiangnan University, Wuxi 214122, China.
Materials (Basel). 2017 Apr 29;10(5):478. doi: 10.3390/ma10050478.
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.
利用碳纳米管（CNTs）之间范德华（vdW）相互作用的连续介质模型，获得了碳纳米管内碳链振动的显式解。分别详细分析了初始拉力、碳链振幅以及碳纳米管半径对振动频率的影响。我们的分析结果表明，（5,5）碳纳米管中碳链的振动频率可能比无初始拉力的独立碳链高约两个数量级。对于给定的碳纳米管半径，振动频率随振幅和初始拉力的增加而非线性增加。通过与当前分子动力学（MD）模拟结果比较，所得到的分析内聚能和振动频率是合理的。这些发现将极大地有助于理解纳米管中纳米线的振动特性，并有助于设计纳米机电装置。
