Quantum Correction and Phonon Density of States Analysis for Thermal Conductivity of Single Walled Carbon Nanotube with Finite Length

XM Yang and JF Bian, 2013 13TH IEEE CONFERENCE ON NANOTECHNOLOGY (IEEE- NANO), 1107-1110 (2013).

Though thermal conductivity of single walled carbon nanotubes has been intensively studied, the quantum correction method for the temperature dependence of thermal conductivity of the tube and phonon density of states (DOS) for different boundary conditions have been discussed very rarely. In this paper, we studied the tube ends constrained model for thermal conductivity calculation, and a simple quantum correction method is introduced and discussed in detail to analyze the temperature dependence of the thermal conductivity of the SWCNTs. Moreover, by farther investigating the phonon density of states, we found the phonon boundary scattering in this model is reduced by the buffer region, thus no prominent peak appears at the very low frequency area, and both the computed thermal conductivity and phonon DOS in the tube ends constrained model are more close to that of the ends unconstrained models using the periodic boundary condition.

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