Show/Hide Menu
Hide/Show Apps
Logout
Türkçe
Türkçe
Search
Search
Login
Login
OpenMETU
OpenMETU
About
About
Open Science Policy
Open Science Policy
Open Access Guideline
Open Access Guideline
Postgraduate Thesis Guideline
Postgraduate Thesis Guideline
Communities & Collections
Communities & Collections
Help
Help
Frequently Asked Questions
Frequently Asked Questions
Guides
Guides
Thesis submission
Thesis submission
MS without thesis term project submission
MS without thesis term project submission
Publication submission with DOI
Publication submission with DOI
Publication submission
Publication submission
Supporting Information
Supporting Information
General Information
General Information
Copyright, Embargo and License
Copyright, Embargo and License
Contact us
Contact us
Molecular-dynamics simulations of carbon nanocage structures: Nanoballs and nanotoroids
Download
index.pdf
Date
2001-06-01
Author
Erkoç, Şakir
Vural, DC
Metadata
Show full item record
This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
.
Item Usage Stats
196
views
0
downloads
Cite This
The structural stability of carbon nanocages, fullerens and toroids, have been investigated by performing molecular-dynamics computer simulations. The systems considered are C-120 and C-240 in ball and toroidal structures. Calculations have been realized by using an empirical many-body potential energy function for carbon. It has been found that C-120 ball is very unstable, and the other structures are relatively more strong against heat treatment.
Subject Keywords
Mathematical Physics
,
Computational Theory and Mathematics
,
General Physics and Astronomy
,
Statistical and Nonlinear Physics
,
Computer Science Applications
URI
https://hdl.handle.net/11511/57590
Journal
INTERNATIONAL JOURNAL OF MODERN PHYSICS C
DOI
https://doi.org/10.1142/s0129183101001924
Collections
Department of Physics, Article
Suggestions
OpenMETU
Core
Structural properties of diamond nanorods: molecular-dynamics simulations
Malcioglu, OB; Malcıoğlu, Osman Barış (World Scientific Pub Co Pte Lt, 2003-05-01)
The structural properties of carbon nanorods obtained from diamond crystal have been investigated by performing molecular-dynamics computer simulations. Calculations have been realized by using an empirical many-body potential energy function for carbon. Diamond nanorods have been generated from three low-index planes of diamond crystal. It has been found that the average coordination number, cross-section geometry, and surface orientation from which the nanorod is generated play a role in the stability of ...
Thermal stability of Benzorod arrays: Molecular-dynamics simulations
Malcıoğlu, Osman Barış (World Scientific Pub Co Pte Lt, 2005-05-01)
A set of Benzorod arrays on a graphene substrate has been investigated by performing classical molecular-dynamics simulations. Benzorod is composed of aligned and dehydrogenated benzene rings that are stacked to form a rod-like structure. It has been found that the arrays considered axe thermally stable up to elevated temperatures, with a dependence on length.
Junction formation in crossed nanotubes under pressure: Molecular-dynamics simulations
Tasci, E; Malcıoğlu, Osman Barış; Erkoc, A (World Scientific Pub Co Pte Lt, 2005-09-01)
Junction formation in crossed C(10,0) single wall carbon nanotubes under pressure has been investigated, using classical molecular-dynamics simulations at 1 K. It has been found that a stable mechanical junction was formed by means of placing two crossed single wall carbon nanotubes between two rigid graphene layers which move toward each other.
Structural and electronic properties of the DPPC molecule
Erkoç, Şakir; Korkmaz, Filiz (World Scientific Pub Co Pte Lt, 2006-07-01)
The structural and electronic properties of the DPPC molecule have been investigated theoretically by performing semi-empirical self-consistent-field molecular-orbital theory calculations at the PM3 level in its ground state.
Molecular-dynamics simulations of uranium microclusters
Erkoç, Şakir; Bastug, T; Hirata, M; Tachimori, S (Physical Society of Japan, 1999-02-01)
Structural stability and energetics of uranium microclusters, U-n (n = 3-13, 27-137), have been investigated by molecular-dynamics simulations. An empirical model potential energy function has been parameterised for the uranium element by using the dimer interaction potential energy profile of U-2, which is calculated by relativistic density functional method. Stable structures of the microclusters for n = 3-13 have been determined by molecular-dynamics simulation. It has been found that uranium microcluste...
Citation Formats
IEEE
ACM
APA
CHICAGO
MLA
BibTeX
Ş. Erkoç and D. Vural, “Molecular-dynamics simulations of carbon nanocage structures: Nanoballs and nanotoroids,”
INTERNATIONAL JOURNAL OF MODERN PHYSICS C
, pp. 685–690, 2001, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/57590.