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
Stability of carbon nanotori under heat treatment: Molecular-dynamics simulations
Date
2005-04-01
Author
Tasci, E
Yazgan, E
Malcıoğlu, Osman Barış
Erkoc, S
Metadata
Show full item record
This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
.
Item Usage Stats
200
views
0
downloads
Cite This
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.
Subject Keywords
Physical and Theoretical Chemistry
,
Organic Chemistry
,
General Materials Science
,
Atomic and Molecular Physics, and Optics
URI
https://hdl.handle.net/11511/46187
Journal
FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES
DOI
https://doi.org/10.1081/fst-200050695
Collections
Department of Physics, Article
Suggestions
OpenMETU
Core
Structural properties of carbon nanogears
Tasci, Emre; Malcıoğlu, Osman Barış; Erkoc, Sakir (Informa UK Limited, 2008-01-01)
Structural stabilities of different types of carbon nanogears have been tested against temperature by means of a molecular dynamics procedure. Effects of periodic boundary conditions were also examined. It has been found that although the two types of nanogears (armchair and zigzag CNT yielding) investigated look similar in configuration, when tested against high temperatures, bond breakings and deformations occur at different regions.
Stability of carbon nanotori
Yazgan, E; Tasci, E; Malcıoğlu, Osman Barış; Erkoç, Şakir (2003-09-12)
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.
Study of the Influence of Transition Metal Atoms on Electronic and Magnetic Properties of Graphyne Nanotubes Using Density Functional Theory
Alaei, Sholeh; Jalili, Seifollah; Erkoç, Şakir (Informa UK Limited, 2015-01-01)
Density functional theory calculations were used to study the adsorption of three transition metal atoms (Fe, Co, and Ni) on the external surface of two zigzag and two armchair graphyne nanotubes. The most stable position for the adsorption of all three metal atoms on all nanotubes is on the acetylenic ring. The metal atom remains in the plane of the acetylenic ring and makes six bonds with neighboring carbon atoms. Fe and Co complexes are magnetic and show different properties such as metal, semimetal, hal...
Structural and electronic properties of 'benzorods'
Erkoc, F (Elsevier BV, 2003-11-03)
The structural and electronic properties of benzorods, carbon nanorods made of benzen molecules, have been investigated systematically by performing semi-empirical self-consistent-field molecular-orbital theory calculations at AM1-RUF level. The benzorod represented by nC6 contains n benzonoid rings placed parallel to each other forms a stable structure.
Molecular-dynamics simulations of carbon nanocage structures: Nanoballs and nanotoroids
Erkoç, Şakir; Vural, DC (World Scientific Pub Co Pte Lt, 2001-06-01)
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.
Citation Formats
IEEE
ACM
APA
CHICAGO
MLA
BibTeX
E. Tasci, E. Yazgan, O. B. Malcıoğlu, and S. Erkoc, “Stability of carbon nanotori under heat treatment: Molecular-dynamics simulations,”
FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES
, pp. 147–154, 2005, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/46187.