RESEARCH ARTICLE

Impacts of cone-structured interface and aperiodicity on nanoscalethermal transport in Si/Gesuperlattices

  • Pengfei JI 1 ,
  • Yiming RONG 1 ,
  • Yuwen ZHANG , 2 ,
  • Yong TANG 3
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  • 1. Department of Mechanical and Energy Engineering, Southern University of Science and Technology, Shenzhen 518055, China
  • 2. Department of Mechanical and Aerospace Engineering, University of Missouri, Columbia, MO 65211, USA
  • 3. Key Laboratory of Surface Functional Structure Manufacturing of Guangdong Higher Education Institutes, School of Mechanical and Automotive Engineering, South China University of Technology, Guangzhou 510640, China

Received date: 29 May 2017

Accepted date: 15 Oct 2017

Published date: 08 Mar 2018

Copyright

2018 Higher Education Press and Springer-Verlag GmbH Germany, part of Springer Nature

Abstract

Si/Gesuperlattices are promising thermoelectric materials to convert thermal energy into electric power. The nanoscale thermal transport in Si/Gesuperlattices is investigated via molecular dynamics (MD) simulation in this short communication. The impact of Si and Ge interface on the cross-plane thermal conductivity reduction in the Si/Gesuperlattices is studied by designing cone-structured interface and aperiodicity between the Si and Ge layers. The temperature difference between the left and right sides of the Si/Gesuperlattices is set up for nonequilibrium MD simulation. The spatial distribution of temperature is recorded to examine whether the steady-state has been reached. As a crucial factor to quantify thermal transport, the temporal evolution of heat flux flowing through Si/Gesuperlattices is calculated. Compared with the even interface, the cone-structured interface contributes remarkable resistance to the thermal transport, whereas the aperiodic arrangement of Si and Ge layers with unequal thicknesses has a marginal influence on the reduction of effective thermal conductivity. The interface with divergent cone-structure shows the most excellent performance of all the simulated cases, which brings a 33% reduction of the average thermal conductivity to the other Si/Gesuperlattices with even, convergent cone-structured interfaces and aperiodic arrangements. The design of divergent cone-structured interface sheds promising light on enhancing the thermoelectric efficiency of Si/Ge based materials.

Cite this article

Pengfei JI , Yiming RONG , Yuwen ZHANG , Yong TANG . Impacts of cone-structured interface and aperiodicity on nanoscalethermal transport in Si/Gesuperlattices[J]. Frontiers in Energy, 2018 , 12(1) : 137 -142 . DOI: 10.1007/s11708-018-0532-8

Acknowledgment

This work was supported by the US National Science Foundation (Grant No. CBET-133611); the National Natural Science Foundation of China (Grant No. 51705234) and the Presidential Postdoctoral Fellowship of the Southern University of Science and Technology, and the project funded by China Postdoctoral Science Foundation (Grant No. 2017M612653).
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