Modeling the interfacial thermal resistance of diamond nanorod composites and related materials

Tad Whiteside, Marie A. Priest, Clifford W. Padgett

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

In this paper, the effect on the interfacial thermal resistance between a composite system composed of a carbon nanotube or diamond nanorod and an octane matrix by the functionalization of those nanostructures with alkyl chains has been examined using molecular dynamics simulations. The effect of functionalization was studied by varying the percent functionalization from 0.00% to 2.00% using octyl as the functional group. As the percent functionalization increased, both systems showed a decrease in the interfacial thermal resistance. At 1.00% functionalization, as the alkyl chain length was increased from one to eight atoms, the interfacial thermal resistance of the carbon nanotube systems decreased to a minimum, while in the diamond nanorod system the interfacial thermal resistance remained constant.

Original languageEnglish
Article number1450014
JournalInternational Journal of Computational Materials Science and Engineering
Volume3
Issue number3
DOIs
StatePublished - Sep 1 2014

Keywords

  • Interfacial thermal resistance
  • carbon nanotube
  • diamond nanorod
  • molecular modeling
  • thermal conductivity

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