Thermal conductivity dependence on chain length in amorphous polymers

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

doi:10.1063/1.4804237

Thermal conductivity dependence on chain length in amorphous polymers

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

Research output: Contribution to journal › Article › peer-review

50 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 language	English
Article number	184304
Journal	Journal of Applied Physics
Volume	113
Issue number	18
DOIs	https://doi.org/10.1063/1.4804237
Publication status	Published - 2013 May 14

Bibliographical note

Funding Information:
We gratefully acknowledge the support by the Germany Science Foundation (DFG) and the IRSES-MULTIFRAC project. The authors would like to thank Dr. Y. Jia for useful discussions.

ASJC Scopus subject areas

General Physics and Astronomy

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10.1063/1.4804237

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title = "Thermal conductivity dependence on chain length in amorphous polymers",

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.",

author = "Junhua Zhao and Jiang, {Jin Wu} and Ning Wei and Yancheng Zhang and Timon Rabczuk",

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AU - Zhao, Junhua

AU - Jiang, Jin Wu

AU - Wei, Ning

AU - Zhang, Yancheng

AU - Rabczuk, Timon

N1 - Funding Information: We gratefully acknowledge the support by the Germany Science Foundation (DFG) and the IRSES-MULTIFRAC project. The authors would like to thank Dr. Y. Jia for useful discussions.

PY - 2013/5/14

Y1 - 2013/5/14

N2 - 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.

AB - 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.

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Thermal conductivity dependence on chain length in amorphous polymers

Abstract

Bibliographical note

ASJC Scopus subject areas

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