Physics – Condensed Matter – Mesoscale and Nanoscale Physics
Scientific paper
2010-05-22
J. Appl. Phys. 108, 103502 (2010)
Physics
Condensed Matter
Mesoscale and Nanoscale Physics
Scientific paper
10.1063/1.3484494
We study heat dissipation from a (10,10) CNT to a SiO2 substrate using equilibrium and non-equilibrium classical molecular dynamics. The CNT-substrate thermal boundary conductance (TBC) is computed both from the relaxation time of the CNT-substrate temperature difference, and from the time autocorrelation function of the interfacial heat flux at equilibrium (Green-Kubo relation). The power spectrum of interfacial heat flux fluctuation and the time evolution of the internal CNT energy distribution suggest that: 1) thermal coupling is dominated by long wavelength phonons between 0-10 THz, 2) high frequency (40-57 THz) CNT phonon modes are strongly coupled to sub-40 THz CNT phonon modes, and 3) inelastic scattering between the CNT phonons and substrate phonons contributes to interfacial thermal transport. We also find that the low frequency longitudinal acoustic (LA) and twisting acoustic (TA) modes do not transfer energy to the substrate as efficiently as the low frequency transverse optical (TO) mode.
Ong Zhun-Yong
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