Bent and kinked multi-shell carbon nanotubes - Treating the interlayer potential more realistically

Dong Qian*, Wing K Liu, Rodney S. Ruoff

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

We use an interlayer potential for graphite developed from LDA (Local Density Approximation) calculation of the energy as a function of interlayer spacing for graphene sheets that are constrained to no intrasheet relaxation. We have fit this interlayer potential to high-pressure compressibility data for graphite, and also to the more extensive LDA EOS (Equation of State) obtained by Boettger, and the fit is very good. We employ this Morse potential to treat mechanics of MWCNTs where the MWCNT is so highly deformed that interlayer separations well below ∼0.34 nm, such as down to ∼0.26 nm, might be occurring. This is, to our knowledge, the first treatment of a multishell tube that attempts to correctly account for deformations that have the layers approaching each other at very high local (inter-layer) stress levels. Comparison with experimental results of highly kinked, and buckled & broken MWCNTs, will be given.

Original languageEnglish (US)
Pages (from-to)1801-1807
Number of pages7
JournalCollection of Technical Papers - AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics and Materials Conference
Volume3
StatePublished - Jan 1 2002

Keywords

  • Beam theory
  • Interlayer potential
  • LJ potential
  • Morse potential
  • Nanotube

ASJC Scopus subject areas

  • Architecture

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