Thermal interface conductance in Si/Ge superlattices by equilibrium molecular dynamics
Name
Chalopin-2012-Thermal interface conductance in.pdf
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Author(s)
Esfarjani, Keivan
Chen, Gang
Chalopin, Yann
Henry, A.
Volz, S.
Date Issued
May 2012
Journal
Physical Review B
Publisher
American Physical Society
Citation
Chalopin, Y. et al. “Thermal Interface Conductance in Si/Ge Superlattices by Equilibrium Molecular Dynamics.” Physical Review B 85.19 (2012). ©2012 American Physical Society
Version
Final published version
Abstract
We provide a derivation allowing the calculation of thermal conductance at interfaces by equilibrium molecular dynamics simulations and illustrate our approach by studying thermal conduction mechanisms in Si/Ge superlattices. Thermal conductance calculations of superlattices with period thicknesses ranging from 0.5 to 60 nm are presented as well as the temperature dependence. Results have been compared to complementary Green-Kubo thermal conductivity calculations demonstrating that thermal conductivity of perfect superlattices can be directly deduced from interfacial conductance in the investigated period range. This confirms the predominant role of interfaces in materials with large phonon mean free paths.
MIT Department
Massachusetts Institute of Technology. Department of Mechanical Engineering
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Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
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DOI of Published Version
https://doi.org/10.1103/PhysRevB.85.195302
