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

被引：52

作者：

Termentzidis, Konstantinos ^{[1
,2
]}

Merabia, Samy ^{[3
]}

Chantrenne, Patrice ^{[1
,2
]}

Keblinski, Pawel ^{[4
]}

机构：

[1] INSA Lyon, CETHIL, UMR5008, F-69621 Villeurbanne, France

[2] Univ Lyon, CNRS, F-69621 Villeurbanne, France

[3] Univ Lyon 1, LPMCN, UMR 5586, F-69621 Villeurbanne, France

[4] RPI, Dept Mat Sci & Engn, Troy, NY USA

来源：

INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER | 2011年 / 54卷 / 9-10期

关键词：

Non-equilibrium molecular dynamics; Green-Kubo; Superlattices; Cross-; in- and intra-plane thermal conductivity; Rough interfaces; Shape of interfaces; HEAT-CONDUCTION; NANOSTRUCTURES; SIMULATION;

D O I：

10.1016/j.ijheatmasstransfer.2011.01.001

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

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.

引用

页码：2014 / 2020

页数：7

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