화학공학소재연구정보센터
International Journal of Heat and Mass Transfer, Vol.54, No.9-10, 2014-2020, 2011
Cross-plane thermal conductivity of superlattices with rough interfaces using equilibrium and non-equilibrium molecular dynamics
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.