Thermally-active screw dislocations in si nanowires and nanotubes

Shiyun Xiong, Jihong Ma, Sebastian Volz, Traian Dumitricǎ

Research output: Contribution to journalArticlepeer-review

25 Scopus citations


Dislocations significantly influence the physical properties of nanomaterials. Nonequilibrium molecular dynamics simulations uncover significant reductions in thermal conductivity when <110> Si nanowires contain axial screw dislocations. The effect can act in combination with other known thermal conductivity limiting mechanisms, and thus can enable the further optimization of the figure of merit for a new family of complex thermoelectric nanomaterials.

Original languageEnglish (US)
Pages (from-to)1756-1760
Number of pages5
Issue number9
StatePublished - May 14 2014


  • dislocations
  • molecular dynamics
  • nanostructures
  • thermal conductivity
  • thermoelectricity

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