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arXiv 1209.5536cond-mat.mes-hall
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刚性碳纳米管绳的隐式声子位移和热力学性质

Implicit Phonon Shifts and Thermodynamical Properties of Rigid Carbon Nanotube Ropes

Shuchi Gupta, K. Dharamvir, V. K. Jindal

摘要:

计算了碳纳米管束外模的声子位移。基于原子-原子势的一个简单模型已被用来计算具有刚性管的碳纳米管束的声子中的隐式非谐性,假设在静水压力下,束中只有管间距离变化。这样的模型是重要的,因为长的碳纳米管绳将是固定长度绳的延伸,如这里所做的。各种体积和热力学性质,如热膨胀,体积模量和Gruneisen常数和外部声子位移,自然进入计算也进行了描述和比较与现有的数据。还计算了比热容。

英文摘要:

We calculate phonon shifts of external modes of a bunch of carbon nanotubes. A simple model based on atom-atom potential has been used to calculate the implicit anharmonicity in the phonons of carbon nanotube bundles having rigid tubes, with the assumption that under hydrostatic pressure only the intertube distance in the bunch varies. Such a model is important as long carbon nanotube ropes will be an extension of a fixed length ropes as is done here. Various bulk and thermodynamic properties like thermal expansion, bulk modulus and the Gruneisen constants and external phonon shifts which naturally enter into the calculation are also described and compared with the available data. The specific heat capacity has also been calculated.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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