Table of Content

Open Access iconOpen Access

ARTICLE

Molecular Dynamics Simulations for Anisotropic Thermal Conductivity of Borophene

Yue Jia1, Chun Li1, *, Jinwu Jiang2, Ning Wei3, Yang Chen4, Yongjie Jessica Zhang5

1 School of Mechanics, Civil Engineering and Architecture, Northwestern Polytechnical University, Xi’an, 710129, China.
2 Shanghai Institute of Applied Mathematics and Mechanics, Shanghai University, Shanghai, 200433, China.
3 School of Mechanical Engineering, Jiangnan University, Wuxi, 214122, China.
4 College of Water Resources and Architectural Engineering, Northwest A&F University, Yangling, 712100, China.
5 Department of Mechanical Engineering, Carnegie Mellon University, Pittsburgh, 15213, USA.

* Corresponding Author: Chun Li. Email: email.

Computers, Materials & Continua 2020, 63(2), 813-823. https://doi.org/10.32604/cmc.2020.07801

Abstract

The present work carries out molecular dynamics simulations to compute the thermal conductivity of the borophene nanoribbon and the borophene nanotube using the Muller-Plathe approach. We investigate the thermal conductivity of the armchair and zigzag borophenes, and show the strong anisotropic thermal conductivity property of borophene. We compare results of the borophene nanoribbon and the borophene nanotube, and find the thermal conductivity of the borophene is orientation dependent. The thermal conductivity of the borophene does not vary as changing the width of the borophene nanoribbon and the perimeter of the borophene nanotube. In addition, the thermal conductivity of the borophene is not sensitive to the applied strains and the background temperatures.

Keywords


Cite This Article

APA Style
Jia, Y., Li, C., Jiang, J., Wei, N., Chen, Y. et al. (2020). Molecular dynamics simulations for anisotropic thermal conductivity of borophene. Computers, Materials & Continua, 63(2), 813-823. https://doi.org/10.32604/cmc.2020.07801
Vancouver Style
Jia Y, Li C, Jiang J, Wei N, Chen Y, Zhang YJ. Molecular dynamics simulations for anisotropic thermal conductivity of borophene. Comput Mater Contin. 2020;63(2):813-823 https://doi.org/10.32604/cmc.2020.07801
IEEE Style
Y. Jia, C. Li, J. Jiang, N. Wei, Y. Chen, and Y.J. Zhang "Molecular Dynamics Simulations for Anisotropic Thermal Conductivity of Borophene," Comput. Mater. Contin., vol. 63, no. 2, pp. 813-823. 2020. https://doi.org/10.32604/cmc.2020.07801



cc This work is licensed under a Creative Commons Attribution 4.0 International License , which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
  • 1847

    View

  • 1594

    Download

  • 0

    Like

Share Link