One-dimensionality of phonon transport in cup-stacked carbon nanofibers

Y. Ito, M. Inoue, Koji Takahashi

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

We treat the ballistic heat conduction of cup-stacked carbon nanofibers (CSCNF) by a nonequilibrium molecular dynamics simulation. The CSCNF consist of numerous tiny graphene cups linked in line by weak intermolecular forces. The simulation results show that the thermal conductivity varies with the fiber length in a power law fashion with an exponent as large as 0.7. The calculated phonon density of states revealed that a low frequency oscillation in the radial and axial directions dominates the heat conduction in CSCNF. The atomic motions indicate that these low frequency oscillations are quasi-one-dimensional (1D) where each cup moves axially like a rigid body and radially with a breathing motion. This quasi-1D oscillation occurs due to the unique structure of a CSCNF that resembles a 1D harmonic chain. Our investigations show that treating a CSCNF as a 1D chain with three-dimensional oscillations explains why this material has the highest ballistic phonon transport ever observed.

Original languageEnglish
Article number065403
JournalJournal of Physics Condensed Matter
Volume22
Issue number6
DOIs
Publication statusPublished - 2010

Fingerprint

Carbon nanofibers
carbon
oscillations
Ballistics
Heat conduction
conductive heat transfer
ballistics
low frequencies
intermolecular forces
Graphite
rigid structures
breathing
Graphene
Molecular dynamics
Thermal conductivity
graphene
thermal conductivity
simulation
exponents
molecular dynamics

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Materials Science(all)

Cite this

One-dimensionality of phonon transport in cup-stacked carbon nanofibers. / Ito, Y.; Inoue, M.; Takahashi, Koji.

In: Journal of Physics Condensed Matter, Vol. 22, No. 6, 065403, 2010.

Research output: Contribution to journalArticle

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