Molecular dynamics simulation on thermal conductivity of single-walled carbon nanotubes

摘要

The thermal conductivity of finite-length singlewalled carbon nanotubes (SWCNTs) was investigated using non-equilibrium molecular dynamics (NEMD) simulations. The temperature and diameter dependence of thermal conductivity was studied in this paper. In this work, thermal conductivity of SWCNTs with the length of 24.5nm and different diameter — (6, 6), (7, 7), (8, 8), (10, 10), (15, 15) was studied at different temperature range from 200–700K. It was noted that thermal conductivity of SWCNTs decreased as temperature increasing at the temperature range of 200–700K, and the thermal conductivity reduced more smoothly. Different from the SWCNTs of small diameter, SWCNTs with the lager diameter had higher thermal conductivity.