Calculation of inter-plane thermal resistance of few-layer graphene from equilibrium molecular dynamics simulations

Yuxiang Ni, Y. Chalopin, S. Volz

Research output: Contribution to journalConference article

3 Citations (Scopus)

Abstract

Inter-plane thermal resistance in 5-layer graphene is calculated from equilibrium molecular dynamics (EMD) by calculating the autocorrelation function of temperature difference. Our simulated inter-plane resistance for 5-layer graphene is 4.83 × 10-9 m2K/W. This data is in the same order of magnitude with the reported values from NEMD simulations and Debye model calculations, and the possible reasons for the slight differences are discussed in details. The inter-plane resistance is not dependent on temperature, according to the results of the EMD simulation. Phonon density of states (DOSs) were plotted to better understand the mechanism behind the obtained values. These results provide a better insight in the heat transfer across a few layer graphene and yield useful information on the design of graphene based thermal materials.

Original languageEnglish (US)
Article number012106
JournalJournal of Physics: Conference Series
Volume395
Issue number1
DOIs
StatePublished - Jan 1 2012
Event6th European Thermal Sciences Conference, Eurotherm 2012 - Poitiers, France
Duration: Sep 4 2012Sep 7 2012

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thermal resistance
graphene
molecular dynamics
simulation
autocorrelation
temperature gradients
heat transfer
temperature

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Calculation of inter-plane thermal resistance of few-layer graphene from equilibrium molecular dynamics simulations. / Ni, Yuxiang; Chalopin, Y.; Volz, S.

In: Journal of Physics: Conference Series, Vol. 395, No. 1, 012106, 01.01.2012.

Research output: Contribution to journalConference article

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