标题： 单壁纳米管的弹性性质 显示英文标题

标题： Elastic Properties of Single-Wall Nanotubes

摘要： 我们报告了对以下组成的单壁纳米管弹性性质的理论研究结果：C，BN，${BC}_3$，${BC}_2{N}$和${C}_3{N}_4$。这些研究是使用总能量、非正交紧束缚参数化方法进行的，该方法被证明与使用更高理论水平的计算结果以及现有的实验数据有很好的一致性。我们的结果预测，在所有考虑的纳米管类型中，碳纳米管具有最高的杨氏模量。我们考虑了直径不同的纳米管，范围从0.5到2 nm，并发现当直径较大时，纳米管的力学性能接近相应平面石墨烯状片材的性能。 显示英文摘要

摘要： We report results of theoretical studies on the elastic properties of single-wall nanotubes of the following compositions: C, BN, ${BC}_3$, ${BC}_2{N}$ and ${C}_3{N}_4$. These studies have been carried out using a total energy, non-orthogonal tight-binding parametrisation which is shown to provide results in good agreement both with calculations using higher levels of theory and the available experimental data. Our results predict that of all types of nanotubes considered, carbon nanotubes have the highest Young's modulus. We have considered tubes of different diameters, ranging from 0.5 to 2~nm, and find that in the limit of large diameters the mechanical properties of nanotubes approach those of the corresponding flat graphene-like sheets.