Open Access

ARTICLE

Molecular Dynamics Simulations for Anisotropic Thermal Conductivity of Borophene

Yue Jia¹, Chun Li^{1, *}, 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: .

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

Received 30 June 2019; Accepted 14 August 2019; Issue published 01 May 2020

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.

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Keywords

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