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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Ong, ZY., Pop, E. Molecular Dynamics Simulation of Interfacial Thermal Resistance Between a (10,10) Carbon Nanotube and SiO2. MRS Online Proceedings Library 1172, 44–53 (2009). https://doi.org/10.1557/PROC-1172-T04-10
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DOI: https://doi.org/10.1557/PROC-1172-T04-10