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  • Title: The thermal conductivity and thermal rectification of carbon nanotubes studied using reverse non-equilibrium molecular dynamics simulations.
    Author: Alaghemandi M, Algaer E, Böhm MC, Müller-Plathe F.
    Journal: Nanotechnology; 2009 Mar 18; 20(11):115704. PubMed ID: 19420452.
    Abstract:
    The thermal conductivity of single-walled and multi-walled carbon nanotubes has been investigated as a function of the tube length L, temperature and chiral index using non-equilibrium molecular dynamics simulations. In the ballistic-diffusive regime the thermal conductivity follows a L(alpha) law. The exponent alpha is insensitive to the diameter of the carbon nanotube; alpha approximately 0.77 has been derived for short carbon nanotubes at room temperature. The temperature dependence of the thermal conductivity shows a peak before falling at higher temperatures (>500 K). The phenomenon of thermal rectification in nanotubes has been investigated by gradually changing the atomic mass in the tube-axial direction as well as by loading extra masses on the terminal sites of the tube. A higher thermal conductivity occurs when heat flows from the low-mass to the high-mass region.
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