Abstract

The thermal conductivities of water-filled single-wall carbon nanotubes (SWNTs) are calculated using non-equilibrium molecular dynamics (NEMD) simulation method. The simulation temperature ranges from 200K to 600K, and the SWNT length ranges from 5nm to 17.5nm. The length-dependence and temperature-dependence of the thermal conductivity of water-filled SWNTs is investigated. It is indicated that the thermal conductivity of water-filled SWNTs increases with increasing the tube length (from 5nm to 17.5nm) at all temperature and reaches the maximum at 300K and then decrease with the increasing temperature above 300K. The thermal conductivity of SWNTs filled with water is lower than that of the empty SWNTs at the same temperature.

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