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Molecular Dynamics Simulations for Anisotropic Thermal Conductivity of Borophene

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arxiv 1705.11016 v1 pith:STCCD2NN submitted 2017-05-31 physics.comp-ph cond-mat.mtrl-sci

Molecular Dynamics Simulations for Anisotropic Thermal Conductivity of Borophene

classification physics.comp-ph cond-mat.mtrl-sci
keywords boropheneconductivitythermalanisotropicdynamicsmolecularnanoribbonnanotube
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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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 the results of the borophene nanoribbon and the borophene nanotube, and find the thermal conductivity of the borophene is structure dependent.

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