Structural stability of carbon nanocapsules: Molecular-dynamics simulations
Conference of the NATO-Advanced-Study-Institute on Nanoengineered Nanofibrous Materials, Belek-Antalya, Türkiye, 1 - 12 Eylül 2003, cilt.169, ss.219-223, (Tam Metin Bildiri)
- 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.