论文标题
一维碳氮化碳范德华异质结构的导热率：分子动力学研究
Thermal conductivity of one-dimensional carbon-boron nitride van der Waals heterostructure: A molecular dynamics study
论文作者
论文摘要
研究范德华异质结构中的热运输对其在广泛范围内的应用具有科学意义和实际重要性。在这项工作中，通过分子动力学模拟系统地研究了由碳和氮化碳纳米管组成的一维异质结构的热导率。发现热导率对温度，长度和直径具有很强的依赖性。另外，证明范德华相互作用的轴向应变和强度能够分别调节高达约43％和37％的热导率。此外，还研究了热导率对组合纳米管手性的依赖性。这些结果是根据晶格动力学见解来解释的。这项工作不仅提供了可行的策略来调节热导率，而且还增强了对一维异质结构中声子传输基本物理的理解。
Investigating thermal transport in van der Waals heterostructure is of scientific interest and practical importance for their applications in a broad range. In this work, thermal conductivity of one-dimensional heterostructure consisting of carbon and boron nitride nanotubes is systematically investigated via molecular dynamics simulations. Thermal conductivity is found to have strong dependences on temperature, length and diameter. In addition, the axial strain and intensity of van der Waals interaction are demonstrated to be able to modulate thermal conductivity up to about 43% and 37%, respectively. Moreover, the dependence of thermal conductivity on the chirality of componential nanotubes is studied. These results are explained based on lattice dynamics insights. This work not only provides feasible strategies to modulate thermal conductivity, but also enhances the understanding of the fundamental physics of phonon transport in one-dimensional heterostructure.
