Thermal conductivity dependence on chain length in amorphous polymers

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

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    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 languageEnglish
    Article number184304
    JournalJournal of Applied Physics
    Volume113
    Issue number18
    DOIs
    Publication statusPublished - 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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