Molecular Dynamics Simulations for Anisotropic Thermal Conductivity of Borophene

摘要

The present work carries out molecular dynamics simulations to compute the thermal conductivity of the borophene nanoribbon and the borophene nanotube using the Müller-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.