Thermal resistance between crossed carbon nanotubes: Molecular dynamics simulations and analytical modeling

摘要

A nonequilibrium molecular dynamics (MD) method is used to calculate the thermal resistance between crossed carbon nanotubes (CNTs). The thermal resistance is predicted to be of the order of 109–1011 K/W. The effects of the crossing angle, nanotube length, and initial nanotube spacing on the thermal resistance are studied in detail with the fixed boundary condition applied in the axial direction of each CNT. The thermal resistance is found to increase with the increasing crossing angle while decrease with the increasing nanotube length and converge to a constant eventually. An increase in the thermal resistance is observed for nanotubes with larger initial spacing and the increase becomes abrupt as the initial spacing is increased to the van der Waals diameter. Between the crossed CNTs the phonon transport is constricted through the contact. The thermal resistance between the crossed CNTs calculated by MD is found to be close to the ballistic constriction resistance, which indicates that the constriction thermal resistance plays a major role in the inter-tube thermal resistance and the ballistic transport of phonons is dominant in the thermal transport between the crossed CNTs.