Thermal conductivity dependence on chain length in amorphous polymers
- Authors
- Zhao, Junhua; Jiang, Jin-Wu; Wei, Ning; Zhang, Yancheng; Rabczuk, Timon
- Issue Date
- 14-May-2013
- Publisher
- AMER INST PHYSICS
- Citation
- JOURNAL OF APPLIED PHYSICS, v.113, no.18
- Indexed
- SCI
SCIE
SCOPUS
- Journal Title
- JOURNAL OF APPLIED PHYSICS
- Volume
- 113
- Number
- 18
- URI
- https://scholar.korea.ac.kr/handle/2021.sw.korea/103234
- DOI
- 10.1063/1.4804237
- ISSN
- 0021-8979
1089-7550
- Abstract
- We apply united-atom (UA) nonequilibrium molecular dynamics simulations to predict the thermal conductivity for amorphous polyethylene at room temperature with chain length (CL) increasing from 4 to 1260. The thermal conductivity is determined by the competition of the two mechanisms: (1) The collision among the UA beads and (2) the phonon vibration. The collision mechanism mainly dominates CL <= 7, while the phonon vibration mechanism mainly determines CL >= 140. The competition between the two mechanisms determines 12 <= CL <= 140. In particular, the thermal conductivity for 8 <= CL <= 11 cannot be obtained accurately due to the aggregation of the beads. (C) 2013 AIP Publishing LLC.
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