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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

    CMC-Computers, Materials & Continua, Vol.63, No.2, pp. 813-823, 2020, DOI:10.32604/cmc.2020.07801 - 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 More >

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