Molecular-dynamics simulations of carbon nanocage structures: Nanoballs and nanotoroids


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Erkoc S. , Vural D.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, vol.12, no.5, pp.685-690, 2001 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 12 Issue: 5
  • Publication Date: 2001
  • Doi Number: 10.1142/s0129183101001924
  • Title of Journal : INTERNATIONAL JOURNAL OF MODERN PHYSICS C
  • Page Numbers: pp.685-690

Abstract

The structural stability of carbon nanocages, fullerens and toroids, have been investigated by performing molecular-dynamics computer simulations. The systems considered are C-120 and C-240 in ball and toroidal structures. Calculations have been realized by using an empirical many-body potential energy function for carbon. It has been found that C-120 ball is very unstable, and the other structures are relatively more strong against heat treatment.