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Thermal Transport in Single-Walled Carbon Nanotubes Under Pure Bending

Jihong Ma1, Yuxiang Ni1, Sebastian Volz2, and Traian Dumitrică1,*

  • 1Department of Mechanical Engineering, University of Minnesota, 111 Church Street Southeast, Minneapolis, Minnesota 55455, USA
  • 2Laboratoire d’Energétique Moléculaire et Macroscopique, CNRS UPR 288, Ecole Centrale Paris, Grande Voie des Vignes, 92295 Châtenay-Malabry, France

  • *dtraian@umn.edu
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Phys. Rev. Applied 3, 024014 – Published 25 February, 2015

DOI: https://doi.org/10.1103/PhysRevApplied.3.024014

Abstract

The carbon nanotubes’ resilience to mechanical deformation is a potentially important feature for imparting tunable properties at the nanoscale. Using nonequilibrium molecular dynamics and empirical interatomic potentials, we examine the thermal conductivity variations with bending in the thermal transport regime where both ballistic and diffusive effects coexist. These simulations are enabled by the realistic atomic-scale descriptions of uniformly curved and buckled nanotube morphologies obtained by imposing objective boundary conditions. We uncover a contrasting behavior. At shorter lengths, the phonon propagation is affected significantly by the occurrence of localized structural buckling. As the nanotube length becomes comparable with the phonon mean free path, heat transport becomes insensitive to the buckling deformations. Our result settles the controversy around the differences between the current experimental and molecular-dynamics measurements of the thermal transport in bent nanotubes.

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Phys. Rev. Applied 3, 024014– Published 25 February, 2015
  • Received 15 December 2014
Article part of CHORUS

© 2015 American Physical Society

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