Thermal transport in semicrystalline polyethylene by molecular dynamics simulation
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1.5006889.pdf
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Author(s)
Lu, Tingyu
Kim, Kyunghoon
Li, Xiaobo
Zhou, Jun
Chen, Gang
Liu, Jun
Date Issued
January 2018
Journal
Journal of Applied Physics
Publisher
American Institute of Physics (AIP)
Citation
Lu, Tingyu et al.“Thermal Transport in Semicrystalline Polyethylene by Molecular Dynamics Simulation.” Journal of Applied Physics 123, 1 (January 2018): 015107 © 2018 The Author(s)
Version
Final published version
Abstract
Recent research has highlighted the potential to achieve high-thermal-conductivity polymers by aligning their molecular chains. Combined with other merits, such as low-cost, corrosion resistance, and light weight, such polymers are attractive for heat transfer applications. Due to their quasi-one-dimensional structural nature, the understanding on the thermal transport in those ultra-drawn semicrystalline polymer fibers or films is still lacking. In this paper, we built the ideal repeating units of semicrystalline polyethylene and studied their dependence of thermal conductivity on different crystallinity and interlamellar topology using the molecular dynamics simulations. We found that the conventional models, such as the Choy-Young's model, the series model, and Takayanagi's model, cannot accurately predict the thermal conductivity of the quasi-one-dimensional semicrystalline polyethylene. A modified Takayanagi's model was proposed to explain the dependence of thermal conductivity on the bridge number at intermediate and high crystallinity. We also analyzed the heat transfer pathways and demonstrated the substantial role of interlamellar bridges in the thermal transport in the semicrystalline polyethylene. Our work could contribute to the understanding of the structure-property relationship in semicrystalline polymers and shed some light on the development of plastic heat sinks and thermal management in flexible electronics.
MIT Department
Massachusetts Institute of Technology. Department of Mechanical Engineering
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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/10.1063/1.5006889
