Structural stability of carbon nanocapsules: Molecular-dynamics simulations

Date

2003-09-12

Author

Malcıoğlu, Osman Barış
Tanriverdi, V
Yilmaz, A
Erkoc, S

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This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

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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.

Subject Keywords

Carbon nanocapsules, Molecular-dynamics, Empirical potential

URI

https://hdl.handle.net/11511/55205

Collections

Department of Physics, Conference / Seminar