TY - JOUR
T1 - Calculation of inter-plane thermal resistance of few-layer graphene from equilibrium molecular dynamics simulations
AU - Ni, Y.
AU - Chalopin, Y.
AU - Volz, S.
PY - 2012
Y1 - 2012
N2 - 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.
AB - 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.
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U2 - 10.1088/1742-6596/395/1/012106
DO - 10.1088/1742-6596/395/1/012106
M3 - Conference article
AN - SCOPUS:84875034869
SN - 1742-6588
VL - 395
JO - Journal of Physics: Conference Series
JF - Journal of Physics: Conference Series
IS - 1
M1 - 012106
T2 - 6th European Thermal Sciences Conference, Eurotherm 2012
Y2 - 4 September 2012 through 7 September 2012
ER -