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Structural stability of carbon nanocapsules: Molecular-dynamics simulations
Date
2003-09-12
Author
Malcıoğlu, Osman Barış
Tanriverdi, V
Yilmaz, A
Erkoc, S
Metadata
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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