1D-to-3D transition of phonon heat conduction in polyethylene using molecular dynamics simulations

Asegun Henry, Gang Chen, Steven J. Plimpton, and Aidan Thompson
Phys. Rev. B 82, 144308 – Published 26 October 2010

Abstract

The thermal conductivity of nanostructures generally decreases with decreasing size because of classical size effects. The axial thermal conductivity of polymer chain lattices, however, can exhibit the opposite trend, because of reduced chain-chain anharmonic scattering. This unique feature gives rise to an interesting one-dimensional-to-three-dimensional transition in phonon transport. We study this transition by calculating the thermal conductivity of polyethylene with molecular dynamics simulations. The results are important for designing inexpensive high thermal-conductivity polymers.

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  • Received 2 August 2010

DOI:https://doi.org/10.1103/PhysRevB.82.144308

©2010 American Physical Society

Authors & Affiliations

Asegun Henry1,2,*, Gang Chen1,†, Steven J. Plimpton3, and Aidan Thompson3

  • 1Department of Mechanical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA
  • 2Georgia Institute of Technology, George W. Woodruff School of Mechanical Engineering, 801 Ferst Drive, Atlanta, Georgia 30332, USA
  • 3Sandia National Laboratories, Albuquerque, New Mexico 87185-1110, USA

  • *ase@gatech.edu
  • gchen2@mit.edu

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Vol. 82, Iss. 14 — 1 October 2010

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