Thermal transport in semicrystalline polyethylene by molecular dynamics simulation
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-di...
| Main Authors: | , , , , , |
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| Format: | Article |
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American Institute of Physics (AIP)
2018
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| Online Access: | http://hdl.handle.net/1721.1/118953 https://orcid.org/0000-0002-3968-8530 |
| _version_ | 1811092197182799872 |
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| author | Lu, Tingyu Kim, Kyunghoon Li, Xiaobo Zhou, Jun Chen, Gang Liu, Jun |
| author2 | Massachusetts Institute of Technology. Department of Mechanical Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Mechanical Engineering Lu, Tingyu Kim, Kyunghoon Li, Xiaobo Zhou, Jun Chen, Gang Liu, Jun |
| author_sort | Lu, Tingyu |
| collection | MIT |
| description | 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. |
| first_indexed | 2024-09-23T15:14:31Z |
| format | Article |
| id | mit-1721.1/118953 |
| institution | Massachusetts Institute of Technology |
| last_indexed | 2024-09-23T15:14:31Z |
| publishDate | 2018 |
| publisher | American Institute of Physics (AIP) |
| record_format | dspace |
| spelling | mit-1721.1/1189532022-10-02T01:35:48Z Thermal transport in semicrystalline polyethylene by molecular dynamics simulation Lu, Tingyu Kim, Kyunghoon Li, Xiaobo Zhou, Jun Chen, Gang Liu, Jun Massachusetts Institute of Technology. Department of Mechanical Engineering Chen, Gang 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. United States. Department of Energy. Office of Basic Energy Sciences (Award DE-FG02-02ER45977) 2018-11-08T15:25:19Z 2018-11-08T15:25:19Z 2018-01 2017-09 2018-11-07T19:18:55Z Article http://purl.org/eprint/type/JournalArticle 0021-8979 1089-7550 http://hdl.handle.net/1721.1/118953 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) https://orcid.org/0000-0002-3968-8530 http://dx.doi.org/10.1063/1.5006889 Journal of Applied Physics 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. application/pdf American Institute of Physics (AIP) Other repository |
| spellingShingle | Lu, Tingyu Kim, Kyunghoon Li, Xiaobo Zhou, Jun Chen, Gang Liu, Jun Thermal transport in semicrystalline polyethylene by molecular dynamics simulation |
| title | Thermal transport in semicrystalline polyethylene by molecular dynamics simulation |
| title_full | Thermal transport in semicrystalline polyethylene by molecular dynamics simulation |
| title_fullStr | Thermal transport in semicrystalline polyethylene by molecular dynamics simulation |
| title_full_unstemmed | Thermal transport in semicrystalline polyethylene by molecular dynamics simulation |
| title_short | Thermal transport in semicrystalline polyethylene by molecular dynamics simulation |
| title_sort | thermal transport in semicrystalline polyethylene by molecular dynamics simulation |
| url | http://hdl.handle.net/1721.1/118953 https://orcid.org/0000-0002-3968-8530 |
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