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Stability of carbon nanotori
Date
2003-09-12
Author
Yazgan, E
Tasci, E
Malcıoğlu, Osman Barış
Erkoç, Şakir
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The structural stability of carbon nanotori have been investigated by performing molecular--dynamics simulations. The systems considered are C-170, C-360, C-520, and C-750 tori, which have been constructed using an algorithm developed in our laboratory based on Fonseca's idea. Calculations have been realized by using an empirical many-body potential energy function for carbon.
Subject Keywords
Carbon nanotorus
,
Molecular-dynamics
,
Empirical potential
URI
https://hdl.handle.net/11511/55550
Collections
Department of Physics, Conference / Seminar
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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.
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Stability of carbon nanotori under heat treatment: Molecular-dynamics simulations
Tasci, E; Yazgan, E; Malcıoğlu, Osman Barış; Erkoc, S (Informa UK Limited, 2005-04-01)
The structural stability of carbon nanotori have been investigated by performing molecular-dynamics simulations. The systems considered are C-170, C-250, C-360, C-520 and C-750 tori, which have been constructed using a recently developed algorithm based on the idea of Fonseca et al. Calculations, have been realized by using an empirical many-body potential energy function for carbon. It has been found that all the nanotori considered are stable under heat treatment.
Stability of gold clusters: molecular-dynamics simulations
Erkoç, Şakir (2000-09-01)
Structural stability and energetics of gold clusters, Au, (n = 3-555), have been investigated by molecular-dynamics simulations. An empirical model potential energy function has been used in the simulations. Stable structures of the microclusters for n = 3-13 have been determined by molecular-dynamics simulation. It has been found that gold microclusters prefer to form three-dimensional compact structures. Molecular-dynamics simulations have also been performed for spherical gold clusters generated from FCC...
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The structural properties of single and multi-wall carbon nanotubes and the formation of carbon nanorods from multi-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 nanorod formation takes place with smallest possible multi-wall nanotubes under heat treatment. On the other hand, it has been also found that single-wall carbon na...
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E. Yazgan, E. Tasci, O. B. Malcıoğlu, and Ş. Erkoç, “Stability of carbon nanotori,” 2003, vol. 169, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/55550.