碳纳米管束的异常热力学行为

S. Dmitriev, L. Galiakhmetova, E. Korznikova
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引用次数: 0

摘要

采用分子动力学方法计算了平面应变条件下恒定体积下碳纳米管束压力与温度的关系。采用自由度显著减少的链式模型进行建模。分析了碳纳米管直径的影响。研究发现,对于模型的某些参数,碳纳米管束内的压力会随着温度的升高而降低,相当于负热膨胀效应。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Anomalous Thermomechanical Behaviour of Carbon Nanotube Bundle
The molecular dynamics method is used to calculate the dependence of pressure on temperature at a constant volume for a bundle of carbon nanotubes (CNTs) considered under plane strain conditions. A chain model with a significantly reduced number of degrees of freedom is used for modeling. The influence of the CNT diameter is analyzed. It was found that for some parameters of the model, the pressure in the CNT bundle can decrease with increasing temperature, which is equivalent to the effect of negative thermal expansion.
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