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The Vibration of a Linear Carbon Chain in Carbon Nanotubes

机译:碳纳米管中线性碳链的振动

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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.
机译:使用碳纳米管之间的范德华(vdW)相互作用的连续模型,获得了碳纳米管(CNT)内部碳链振动的明确解决方案。分别详细分析了初始拉力和碳链的振幅以及碳纳米管的半径对振动频率的影响。我们的分析结果表明,(5,5)CNT中碳链的振动频率可能比没有初始拉力的独立碳链的振动频率高大约两个数量级。对于给定的CNT半径,振动频率随着振幅和初始拉力的增加而非线性增加。通过比较当前的分子动力学(MD)模拟,获得的分析内聚能和振动频率是合理的。这些发现对理解纳米线在纳米管中的振动特性以及设计纳米机电装置将有很大的帮助。

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