Investigation of the thermal conductivity of a fullerene peapod by molecular dynamics simulation

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Abstract

We investigated the thermal conductivity of a fullerene peapod by molecular dynamics simulation. The thermal conductivity of a peapod was compared with that of a single-walled carbon nanotube (SWNT), and the reason for the difference between them is shown in this paper. Empirical potential functions of Brenner and Lennard-Jones potentials were used for those simulations. Thermal conductivity was calculated by Green-Kubo's equation. The results showed that the values of thermal conductivity of a peapod were larger than those of an SWNT due to the contribution of motion of fullerenes in the peapod.

Original languageEnglish
Pages (from-to)2301-2305
Number of pages5
JournalJournal of Crystal Growth
Volume310
Issue number7-9
DOIs
Publication statusPublished - Apr 1 2008

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Inorganic Chemistry
  • Materials Chemistry

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