Thermal Conductivity of Cage-Like Structures
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t10039_1.pdf
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Author(s)
Zebarjadi, Mona
Esfarjani, Keivan
Chen, Gang
Date Issued
March 2011
Journal
ASME/JSME 2011 8th Thermal Engineering Joint Conference
Publisher
ASME International
Citation
Zebarjadi, Mona, Keivan Esfarjani, and Gang Chen. “Thermal Conductivity of Cage-Like Structures.” ASME/JSME 2011 8th Thermal Engineering Joint Conference (2011), Honolulu, Hawaii, USA, ASME International, 2011. © 2011 ASME International
Version
Final published version
Abstract
A two dimensional toy model is developed to study thermal transport in cage like structures such a skutterudites and clathrates. The model consists of host atoms on a rectangular lattice with fillers in the center of each rectangle. The thermal conductivity is calculated by using Green-Kubo equilibrium molecular dynamics simulations. It is generally believed that the smaller and the heavier the filler, the lower is the thermal conductivity. We show that the thermal conductivity decreases with atomic displacement parameter while it has local minima versus filler mass. Our study shows that it is very important to include the correct band dispersion to get the right features of the thermal conductivity. We show that by having a double well potential one can further reduce the thermal conductivity.
MIT Department
Massachusetts Institute of Technology. Department of Mechanical Engineering
Terms of Use
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/10.1115/AJTEC2011-44276
