The effects of length, diameter, temperature, and axial strain on the thermal conductivity of armchair and zigzag WS${}_2$ nanotubes are systematically investigated by nonequilibrium molecular dynamics simulations. It is found that the thermal conductivity gradually increases with the increase in the length, while it is insensitive to nanotube diameter variation. The thermal conductivity of armchair and zigzag WS${}_2$ nanotubes is remarkably reduced as temperature increases due to the increment of phonon–phonon scattering and reduction of the phonon mean free path. In addition, compressive strain can increase thermal conductivity due to increased contributions from low-frequency phonons, while the opposite is true in the case of tensile strain. The chirality has a slight influence on the thermal transport properties of the WS${}_2$ nanotube.

中文翻译：

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短二硫化钨纳米管的热导率：分子动力学研究

长度、直径、温度和轴向应变对扶手椅和锯齿形 WS 热导率的影响${}_2$通过非平衡分子动力学模拟系统地研究了纳米管。发现热导率随着长度的增加而逐渐增加，而对纳米管直径变化不敏感。扶手椅和锯齿形 WS 的导热系数${}_2$由于声子-声子散射的增加和声子平均自由程的减少，随着温度的升高，纳米管显着减少。此外，由于低频声子的贡献增加，压缩应变可以增加热导率，而在拉伸应变的情况下则相反。手性对 WS 的热传输性质有轻微影响${}_2$ 纳米管。