Cross-plane thermal conductivity of superlattices with rough interfaces using equilibrium and non-equilibrium molecular dynamics

K Termentzidis and S Merabia and P Chantrenne and P Keblinski, INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER, 54, 2014-2020 (2011).

DOI: 10.1016/j.ijheatmasstransfer.2011.01.001

This paper describes a heat transfer study of binary Lennard Jones superlattices, focusing on the influence of interface topology on cross- plane thermal conductivity, by using both non-equilibrium and equilibrium molecular dynamics methods. Both methods reveal the same trends of thermal conductivity. In particular, interfacial roughness is shown to slightly increase cross-plane thermal conductivity in comparison to smooth interfaces. Our results highlight paths for optimizing superlattices for thermoelectric conversion applications and for thermal management solutions in micro- and nano-systems. (C) 2011 Elsevier Ltd. All rights reserved.

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