Molecular Dynamics of Diffusive-Ballistic Heat Conduction in Single-Walled Carbon Nanotubes

Abstract

The diffusive-ballistic heat conduction of finite-length single-walled carbon nanotubes has been studied by means of nonequilibrium molecular dynamics simulations. The length dependence of thermal conductivity is quantified for a range of nanotube lengths up to 1.6 µm at room temperature. A gradual transition from nearly pure ballistic to diffusive-ballistic heat conduction was identified from the thermal conductivity profile. In the diffusive-ballistic regime, the profile exhibits power-law length dependence and does not converge even for a tube length of 1.6 µm. Furthermore, the diameter dependence of thermal conductivity suggests considerable suppression of the diffusion effect as the diameter decreases.