Thermal conductivity of one-dimensional carbon-boron nitride van der Waals heterostructure: A molecular dynamics study

Abstract: Investigating thermal transport in van der Waals heterostructure is of scientific interest and practical importance for their applications in a broad range. In this work, thermal conductivity of one-dimensional heterostructure consisting of carbon and boron nitride nanotubes is systematically investigated via molecular dynamics simulations. Thermal conductivity is found to have strong dependences on temperature, length and diameter. In addition, the axial strain and intensity of van der Waals interaction are demonstrated to be able to modulate thermal conductivity up to about 43% and 37%, respectively. Moreover, the dependence of thermal conductivity on the chirality of componential nanotubes is studied. These results are explained based on lattice dynamics insights. This work not only provides feasible strategies to modulate thermal conductivity, but also enhances the understanding of the fundamental physics of phonon transport in one-dimensional heterostructure.