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

Erkoc S., Malcioglu O. B.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, cilt.12, sa.6, ss.865-870, 2001 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 12 Sayı: 6
  • Basım Tarihi: 2001
  • Doi Numarası: 10.1142/s0129183101002036
  • Dergi Adı: INTERNATIONAL JOURNAL OF MODERN PHYSICS C
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.865-870
  • Anahtar Kelimeler: molecular-dynamics, empirical potential, carbon nanotubes, GROWTH
  • Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

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.