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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: .
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.
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