Thermal conductivity dependence on chain length in amorphous polymers

Junhua Zhao, Jin Wu Jiang, Ning Wei, Yancheng Zhang, Timon Rabczuk

Research output: Contribution to journalArticle

19 Citations (Scopus)

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.

Original languageEnglish
Article number184304
JournalJournal of Applied Physics
Volume113
Issue number18
DOIs
Publication statusPublished - 2013 May 14

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thermal conductivity
polymers
beads
vibration
collisions
atoms
polyethylenes
molecular dynamics
room temperature
simulation

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Zhao, J., Jiang, J. W., Wei, N., Zhang, Y., & Rabczuk, T. (2013). Thermal conductivity dependence on chain length in amorphous polymers. Journal of Applied Physics, 113(18), [184304]. https://doi.org/10.1063/1.4804237

Thermal conductivity dependence on chain length in amorphous polymers. / Zhao, Junhua; Jiang, Jin Wu; Wei, Ning; Zhang, Yancheng; Rabczuk, Timon.

In: Journal of Applied Physics, Vol. 113, No. 18, 184304, 14.05.2013.

Research output: Contribution to journalArticle

Zhao, J, Jiang, JW, Wei, N, Zhang, Y & Rabczuk, T 2013, 'Thermal conductivity dependence on chain length in amorphous polymers', Journal of Applied Physics, vol. 113, no. 18, 184304. https://doi.org/10.1063/1.4804237
Zhao, Junhua ; Jiang, Jin Wu ; Wei, Ning ; Zhang, Yancheng ; Rabczuk, Timon. / Thermal conductivity dependence on chain length in amorphous polymers. In: Journal of Applied Physics. 2013 ; Vol. 113, No. 18.
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