A Study on Equivalent Spherical Structure of Buckyball-C 60 Based on Continuum Shell Model
Autor(a) principal: | |
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Data de Publicação: | 2016 |
Outros Autores: | , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Latin American journal of solids and structures (Online) |
Texto Completo: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1679-78252016000501016 |
Resumo: | Abstract The main goal of this research is to extract a suitable continuum modeling of buckyball-C60. For this purpose, firstly the lattice structure of buckyball-C60 is modelled and subsequently a spherical structure equivalent to fullerene structure is considered. The fullerene structure modeled with shell elements is under internal pressure and in the continuum shell modeling process. The results of simulation demonstrate that the fullerene structure can be modelled using spherical structure. The comparison between strain energies of the equivalent fullerene spherical model and molecular mechanics model under radial displacement, shows that C60-fullerene spherical structures can be modeled using a shell with 0.665 Å thickness, 5.07 TPa elastic modulus and 0.165 Poisson's ratio or a shell with 0.75 Å thickness, 4.84 TPa elastic modulus and 0.19 Poisson's ratio. Moreover, the applied elliptical strain is used to demonstrate that the performance of the continuum spherical shell model of C60 is faultless. |
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Latin American journal of solids and structures (Online) |
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A Study on Equivalent Spherical Structure of Buckyball-C 60 Based on Continuum Shell ModelFullereneContinuum shell modelMolecular mechanicsElastic modulusAbstract The main goal of this research is to extract a suitable continuum modeling of buckyball-C60. For this purpose, firstly the lattice structure of buckyball-C60 is modelled and subsequently a spherical structure equivalent to fullerene structure is considered. The fullerene structure modeled with shell elements is under internal pressure and in the continuum shell modeling process. The results of simulation demonstrate that the fullerene structure can be modelled using spherical structure. The comparison between strain energies of the equivalent fullerene spherical model and molecular mechanics model under radial displacement, shows that C60-fullerene spherical structures can be modeled using a shell with 0.665 Å thickness, 5.07 TPa elastic modulus and 0.165 Poisson's ratio or a shell with 0.75 Å thickness, 4.84 TPa elastic modulus and 0.19 Poisson's ratio. Moreover, the applied elliptical strain is used to demonstrate that the performance of the continuum spherical shell model of C60 is faultless.Associação Brasileira de Ciências Mecânicas2016-05-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S1679-78252016000501016Latin American Journal of Solids and Structures v.13 n.5 2016reponame:Latin American journal of solids and structures (Online)instname:Associação Brasileira de Engenharia e Ciências Mecânicas (ABCM)instacron:ABCM10.1590/1679-78252508info:eu-repo/semantics/openAccessJamal-Omidi,MajidShayanMehr,MahdiRafiee,Rohameng2016-07-05T00:00:00Zoai:scielo:S1679-78252016000501016Revistahttp://www.scielo.br/scielo.php?script=sci_serial&pid=1679-7825&lng=pt&nrm=isohttps://old.scielo.br/oai/scielo-oai.phpabcm@abcm.org.br||maralves@usp.br1679-78251679-7817opendoar:2016-07-05T00:00Latin American journal of solids and structures (Online) - Associação Brasileira de Engenharia e Ciências Mecânicas (ABCM)false |
dc.title.none.fl_str_mv |
A Study on Equivalent Spherical Structure of Buckyball-C 60 Based on Continuum Shell Model |
title |
A Study on Equivalent Spherical Structure of Buckyball-C 60 Based on Continuum Shell Model |
spellingShingle |
A Study on Equivalent Spherical Structure of Buckyball-C 60 Based on Continuum Shell Model Jamal-Omidi,Majid Fullerene Continuum shell model Molecular mechanics Elastic modulus |
title_short |
A Study on Equivalent Spherical Structure of Buckyball-C 60 Based on Continuum Shell Model |
title_full |
A Study on Equivalent Spherical Structure of Buckyball-C 60 Based on Continuum Shell Model |
title_fullStr |
A Study on Equivalent Spherical Structure of Buckyball-C 60 Based on Continuum Shell Model |
title_full_unstemmed |
A Study on Equivalent Spherical Structure of Buckyball-C 60 Based on Continuum Shell Model |
title_sort |
A Study on Equivalent Spherical Structure of Buckyball-C 60 Based on Continuum Shell Model |
author |
Jamal-Omidi,Majid |
author_facet |
Jamal-Omidi,Majid ShayanMehr,Mahdi Rafiee,Roham |
author_role |
author |
author2 |
ShayanMehr,Mahdi Rafiee,Roham |
author2_role |
author author |
dc.contributor.author.fl_str_mv |
Jamal-Omidi,Majid ShayanMehr,Mahdi Rafiee,Roham |
dc.subject.por.fl_str_mv |
Fullerene Continuum shell model Molecular mechanics Elastic modulus |
topic |
Fullerene Continuum shell model Molecular mechanics Elastic modulus |
description |
Abstract The main goal of this research is to extract a suitable continuum modeling of buckyball-C60. For this purpose, firstly the lattice structure of buckyball-C60 is modelled and subsequently a spherical structure equivalent to fullerene structure is considered. The fullerene structure modeled with shell elements is under internal pressure and in the continuum shell modeling process. The results of simulation demonstrate that the fullerene structure can be modelled using spherical structure. The comparison between strain energies of the equivalent fullerene spherical model and molecular mechanics model under radial displacement, shows that C60-fullerene spherical structures can be modeled using a shell with 0.665 Å thickness, 5.07 TPa elastic modulus and 0.165 Poisson's ratio or a shell with 0.75 Å thickness, 4.84 TPa elastic modulus and 0.19 Poisson's ratio. Moreover, the applied elliptical strain is used to demonstrate that the performance of the continuum spherical shell model of C60 is faultless. |
publishDate |
2016 |
dc.date.none.fl_str_mv |
2016-05-01 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1679-78252016000501016 |
url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1679-78252016000501016 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
10.1590/1679-78252508 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
text/html |
dc.publisher.none.fl_str_mv |
Associação Brasileira de Ciências Mecânicas |
publisher.none.fl_str_mv |
Associação Brasileira de Ciências Mecânicas |
dc.source.none.fl_str_mv |
Latin American Journal of Solids and Structures v.13 n.5 2016 reponame:Latin American journal of solids and structures (Online) instname:Associação Brasileira de Engenharia e Ciências Mecânicas (ABCM) instacron:ABCM |
instname_str |
Associação Brasileira de Engenharia e Ciências Mecânicas (ABCM) |
instacron_str |
ABCM |
institution |
ABCM |
reponame_str |
Latin American journal of solids and structures (Online) |
collection |
Latin American journal of solids and structures (Online) |
repository.name.fl_str_mv |
Latin American journal of solids and structures (Online) - Associação Brasileira de Engenharia e Ciências Mecânicas (ABCM) |
repository.mail.fl_str_mv |
abcm@abcm.org.br||maralves@usp.br |
_version_ |
1754302888432107520 |