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首页> 外文期刊>Zeitschrift fur Angewandte Mathematik und Mechanik >Theoretical modeling relating to temperature and cap/end for carbon nanotubes under hydrostatic pressure
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Theoretical modeling relating to temperature and cap/end for carbon nanotubes under hydrostatic pressure

机译：静压压力下碳纳米管温度和帽/末端有关的理论模型

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摘要

In this paper, based on the molecular mechanics coupled with an atomistic-based molecular mechanics theory, the equivalent elastic moduli of temperature-dependence for single walled carbon nanotubes are analyzed. Under a hydrostatic pressure, two types of carbon nanotubes with the closed-end and the open-end are considered, respectively, and the difference between bulk modulus and transverse/radial modulus of these nanotubes is also assessed. The present results show that the bulk modulus and transverse modulus of single-walled carbon nanotubes are very sensitive to the temperature and end states. Whether having end caps or not, the bulk modulus and radial modulus of carbon nanotubes vary with the external hydrostatic pressure, and they decrease with the increase of the tube diameter and the ambient temperature. However, the circumferential modulus increases with the increase of nanotube diameters. With the increase of temperatures, the bulk modulus and transverse modulus become insensitive to the diameters.
机译：本文基于分子力学和基于原子的分子力学理论，分析了单壁碳纳米管的等效弹性模量随温度的变化规律。在静水压力下，分别考虑了封闭端和开放端两种类型的碳纳米管，并评估了这些纳米管的体积模量和横向/径向模量之间的差异。结果表明，单壁碳纳米管的体积模量和横向模量对温度和端态非常敏感。无论是否有端盖，碳纳米管的体积模量和径向模量均随外部静水压力的变化而变化，并随管径和环境温度的增加而减小。然而，周向模量随着纳米管直径的增加而增加。随着温度的升高，体积模量和横向模量对直径变得不敏感。

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