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Compressive Instability of Carbon Nanotubes

机译:碳纳米管的压缩不稳定性

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摘要

Based on both molecular mechanics and computational structural mechanics, a three-dimensional (3D) equivalent beam element is developed to model a C-C covalent bond on carbon nanotubes (CNTs) whereas the van der Waals forces between atoms in the different walls of multi-walled CNTs are described using a rod element. The buckling characteristics of CNTs are conveniently analyzed by using the traditional finite element method (FEM) of a 3D beam and rod model, termed as molecular structural mechanics approach (MSMA). Moreover, to model the CNTs with large length or large diameter, the validity of Euler's beam buckling theory and a shell model with proper properties defined from the results of MSMA is investigated. The predicted results by this simple continuum mechanics approach agree well with the reported experimental data.
机译:基于分子力学和计算结构力学,开发了三维(3D)等效梁单元,以模拟碳纳米管(CNT)上的CC共价键,而多壁不同壁中原子之间的范德华力使用棒状元件描述了CNT。 CNT的屈曲特性可通过使用3D梁和杆模型的传统有限元方法(FEM)方便地进行分析,称为分子结构力学方法(MSMA)。此外,为了建模大长度或大直径的碳纳米管,研究了欧拉束屈曲理论的有效性以及根据MSMA结果定义的具有适当性质的壳模型的有效性。通过这种简单的连续体力学方法得出的预测结果与报道的实验数据非常吻合。

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