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Molecular Dynamics Simulation of Interfacial Thermal Resistance Between a (10,10) Carbon Nanotube and SiO2

  • Zhun-Yong Ong (a1) and Eric Pop (a2)
Abstract

Understanding thermal transport between carbon nanotubes (CNTs) and dielectric substrates is important both for nanoscale thermal management and CNT device applications. We investi-gate thermal transport between a (10,10) CNT and an SiO2 substrate through non-equilibrium classical molecular dynamics (MD) simulations. The thermal boundary conductance (TBC) is computed by setting up a temperature pulse in the CNT and monitoring its relaxation. The TBC is found to scale nearly linearly with temperature between 200�600 K, where a quantum correction is applied to the CNT heat capacity through its phonon density of states. However, the TBC ap-pears most sensitive to the strength the CNT-substrate interaction, which linearly modulates it between 0.05�0.30 WK-1m-1, in the range suggested by recent experimental data.

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  • EISSN: 1946-4274
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