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

Published online by Cambridge University Press:  31 January 2011

Zhun-Yong Ong  and
Eric Pop
Zhun-Yong Ong
Affiliation:
zhunyong@gmail.com, University of Illinois, Micro and Nanotechnology Laboratory, 208 N Wright St, Urbana, Illinois, 61801, United States
Eric Pop
Affiliation:
epop@illinois.edu, University of Illinois, Electrical and Computer Engineering, Urbana, Illinois, United States
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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.

Keywords

nanoscalethermal conductivitysimulation
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1172: Symposium T – Nanoscale Heat Transport–From Fundamentals to Devices , 2009 , 1172-T04-10
Copyright
Copyright © Materials Research Society 2009

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