Structural stability of carbon nanocapsules: Molecular-dynamics simulations


Malcioglu O. B., Tanriverdi V., Yilmaz A., Erkoc S.

Conference of the NATO-Advanced-Study-Institute on Nanoengineered Nanofibrous Materials, Belek-Antalya, Turkey, 1 - 12 September 2003, vol.169, pp.219-223 identifier

  • Publication Type: Conference Paper / Full Text
  • Volume: 169
  • City: Belek-Antalya
  • Country: Turkey
  • Page Numbers: pp.219-223
  • Middle East Technical University Affiliated: Yes

Abstract

Structural stability of empty and endohedrally doped carbon nanocapsules 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 empty carbon nanocapsules are relatively more stable with respect to endohedrally doped ones against heat treatment.