碳和氮化硼纳米管的压缩和拉伸行为

R. Wei, Yanling Tian, V. Eichhorn, S. Fatikow
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引用次数: 3

摘要

为了系统地研究碳纳米管和氮化硼纳米管的压缩和拉伸行为,进行了经典的分子动力学模拟,研究了压缩和拉伸作用下的变形模式。得到了纳米管的轴向应力和单原子应变能,研究了纳米管的力学性能。计算分析表明,手性是影响纳米管行为的主要因素之一,具有相同手性的不同材料的纳米管具有相似的变形模式。轴向应力和每个原子的应变能也能反映管材的性能。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Compressive and tensile behaviors of carbon and boron nitride nanotubes
In order to systematically investigate compressive and tensile behaviors of the carbon nanotubes and boron nitride nanotubes, classical molecular dynamics simulations are conducted to examine the deformation patterns under compression and tension. The axial stress and strain energy per atom are obtained to study the mechanical properties of the nanotubes. From the computational analyses, it is noted that chirality is one of the main factors affecting the behavior of the nanotubes, and the nanotubes in different materials but with the same chirality have similar deformation patterns. The axial stress and strain energy per atom can also reflect the behavior of the tubes.
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