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Thermal conductivity of one-dimensional carbon-boron nitride van der Waals heterostructure: A molecular dynamics study

机译:一维碳硼氮化物van der wa缺陷的导热系数:分子动力学研究

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摘要

Investigating thermal transport in van der Waals heterostructures 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 constituent 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 heterostructures.
机译:调查van der Waals的热传输异性结构对其在广泛范围内的应用具有科学的兴趣和实践意义。 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硼纳米管组成的一维异质结构的导热系数。 发现导热性具有对温度,长度和直径的强依赖性。 此外,van der Wa种相互作用的轴向应变和强度分别能够分别调节热导率至约43%和37%。 此外,研究了导热系对组成纳米管的手性的依赖性。 这些结果是基于晶格动力学见解解释的。 这项工作不仅提供了调节导热率的可行策略,还可以增强对一维异质结构中声子输送的基本物理学的理解。

著录项

  • 来源
    《International Journal of Heat and Mass Transfer》 |2021年第12期|121773.1-121773.6|共6页
  • 作者单位

    State Key Laboratory of Coal Combustion. School of Energy and Power Engineering Huazhong University of Science and Technology Wuhan 430074 China. Department of Mechanical Engineering. The University of Tokyo. 7-3-1 Hongo Bunkyo-ku Tokyo 113-8656 Japan;

    Department of Mechanical Engineering. The University of Tokyo. 7-3-1 Hongo Bunkyo-ku Tokyo 113-8656 Japan;

    Department of Mechanical Engineering. The University of Tokyo. 7-3-1 Hongo Bunkyo-ku Tokyo 113-8656 Japan;

    State Key Laboratory of Coal Combustion. School of Energy and Power Engineering Huazhong University of Science and Technology Wuhan 430074 China.;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    One-dimensional heterostructure; Thermal conductivity modulation; Van der Waals confinement; Strain effect; Molecular dynamics;

    机译:一维异质结构;导热性调制;范德沃尔斯限制;应变效应;分子动力学;

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