Effect of chirality on the stability of carbon nanotubes : Molecular-dynamics simulations

Erkoc S., Malcioglu O. B.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, vol.12, no.6, pp.865-870, 2001 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 12 Issue: 6
  • Publication Date: 2001
  • Doi Number: 10.1142/s0129183101002036
  • Journal Name: INTERNATIONAL JOURNAL OF MODERN PHYSICS C
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.865-870
  • Keywords: molecular-dynamics, empirical potential, carbon nanotubes, GROWTH
  • Middle East Technical University Affiliated: Yes

Abstract

The effect of chirality on the structural stability of single-wall carbon nanotubes have been investigated by performing molecular-dynamics computer simulations. Calculations have been realized by using an empirical many-body potential energy function for carbon. It has been found that carbon nanotube in chiral structure is more stable under heat treatment relative to zigzag and armchair models. The diameter of the tubes is slightly enlarged under heat treatment.