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

H Meng and S Maruyama and R Xiang and N Yang, INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER, 180, 121773 (2021).

DOI: 10.1016/j.ijheatmasstransfer.2021.121773

Investigating thermal transport in van der Waals heterostructures 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 molec-ular 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 demon-strated to be able to modulate thermal conductivity up to about 43% and 37%, respectively. Moreover, the dependence of thermal conductivity on the chirality of constituent nanotubes is studied. These results are explained based on lattice dynamics insights. This work not only provides feasible strategies to mod-ulate thermal conductivity, but also enhances the understanding of the fundamental physics of phonon transport in one-dimensional heterostructures. (c) 2021 Elsevier Ltd. All rights reserved.

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