Theoretical modeling relating to temperature and cap/end for carbon nanotubes under hydrostatic pressure,ZAMM - Journal of Applied Mathematics and Mechanics

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Theoretical modeling relating to temperature and cap/end for carbon nanotubes under hydrostatic pressure
ZAMM - Journal of Applied Mathematics and Mechanics ( IF 2.3 ) Pub Date : 2020-02-06 , DOI: 10.1002/zamm.201800297
Ming Gao ₁ , Lichun Bian ₁

Affiliation

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.

中文翻译：

静水压力下碳纳米管温度和上限/下限的理论模型

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温度依赖性等效弹性模量。在静水压力下，分别考虑了具有封闭端和开放端的两种类型的碳纳米管，并且还评估了这些碳纳米管的体积模量和横向/径向模量之间的差异。目前的结果表明，单壁碳纳米管的体积模量和横向模量对温度和最终状态非常敏感。不论是否具有端盖，碳纳米管的体积模量和径向模量都随着外部静水压力而变化，并且随着管直径和环境温度的增加而降低。然而，圆周模量随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。

更新日期：2020-02-06

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