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Out-of-plane thermal conductivity of polycrystalline silicon nanofilm by molecular dynamics simulation

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3 Author(s)
Ju, Shenghong ; Department of Engineering Mechanics, Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Tsinghua University, Beijing, 100084, People’s Republic of China ; Liang, XinGang ; Xu, Xianghua

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The out-of-plane thermal conductivity of polycrystalline silicon nanofilm is investigated by molecular dynamics simulation. The polycrystalline silicon nanofilm with a random shape of grains is generated by the three-dimensional Voronoi tessellation method. The out-of-plane thermal conductivity of polycrystalline silicon nanofilm at different temperature, film thickness, and average grain size is calculated by the Muller-Plathe method. The results indicate that the polycrystalline thermal conductivity is lower than that of the bulk single crystal and the single crystal nanofilm of silicon. The out-of-plane thermal conductivity of polycrystalline silicon nanofilm is insensitive to temperature and film thickness that is apparently larger than grain size, but mainly depends on the grain size.

Published in:

Journal of Applied Physics  (Volume:110 ,  Issue: 5 )