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, Türkiye, 1 - 12 Eylül 2003, cilt.169, ss.219-223 identifier

  • Yayın Türü: Bildiri / Tam Metin Bildiri
  • Cilt numarası: 169
  • Basıldığı Şehir: Belek-Antalya
  • Basıldığı Ülke: Türkiye
  • Sayfa Sayıları: ss.219-223
  • Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

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.