Investigation of the Elastic Properties of Graphenylene Using Molecular Dynamics Simulations

Detalhes bibliográficos
Autor(a) principal: Rouhi,Saeed
Data de Publicação: 2017
Outros Autores: Ghasemi,Ali
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Materials research (São Carlos. Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392017000100001
Resumo: Molecular dynamics simulations are used here to study the mechanical behavior of graphenylene under uni-directional and bi-directional loadings. The effects of nanosheet chirality and size on Young's modulus of graphenylene are investigated. Compared to graphene, graphenylene possess a smaller elastic modulus. It is shown that for large armchair and zigzag graphenylenes, the effect of nanosheet size on the mechanical properties can be neglected. It is observed that increasing temperature results in decreasing Young's modulus of graphenylene. Besides, fracture of graphenylene occurs at large strains. Moreover, it is represented that for small graphenylenes, bulk modulus is significantly sensitive to the size variation. However, this sensitivity disappears for large nanosheets.
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spelling Investigation of the Elastic Properties of Graphenylene Using Molecular Dynamics SimulationsMolecular dynamics simulationsGraphenyleneYoung's modulusBulk modulusMolecular dynamics simulations are used here to study the mechanical behavior of graphenylene under uni-directional and bi-directional loadings. The effects of nanosheet chirality and size on Young's modulus of graphenylene are investigated. Compared to graphene, graphenylene possess a smaller elastic modulus. It is shown that for large armchair and zigzag graphenylenes, the effect of nanosheet size on the mechanical properties can be neglected. It is observed that increasing temperature results in decreasing Young's modulus of graphenylene. Besides, fracture of graphenylene occurs at large strains. Moreover, it is represented that for small graphenylenes, bulk modulus is significantly sensitive to the size variation. However, this sensitivity disappears for large nanosheets.ABM, ABC, ABPol2017-02-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392017000100001Materials Research v.20 n.1 2017reponame:Materials research (São Carlos. Online)instname:Universidade Federal de São Carlos (UFSCAR)instacron:ABM ABC ABPOL10.1590/1980-5373-mr-2015-0742info:eu-repo/semantics/openAccessRouhi,SaeedGhasemi,Alieng2017-03-22T00:00:00Zoai:scielo:S1516-14392017000100001Revistahttp://www.scielo.br/mrPUBhttps://old.scielo.br/oai/scielo-oai.phpdedz@power.ufscar.br1980-53731516-1439opendoar:2017-03-22T00:00Materials research (São Carlos. Online) - Universidade Federal de São Carlos (UFSCAR)false
dc.title.none.fl_str_mv Investigation of the Elastic Properties of Graphenylene Using Molecular Dynamics Simulations
title Investigation of the Elastic Properties of Graphenylene Using Molecular Dynamics Simulations
spellingShingle Investigation of the Elastic Properties of Graphenylene Using Molecular Dynamics Simulations
Rouhi,Saeed
Molecular dynamics simulations
Graphenylene
Young's modulus
Bulk modulus
title_short Investigation of the Elastic Properties of Graphenylene Using Molecular Dynamics Simulations
title_full Investigation of the Elastic Properties of Graphenylene Using Molecular Dynamics Simulations
title_fullStr Investigation of the Elastic Properties of Graphenylene Using Molecular Dynamics Simulations
title_full_unstemmed Investigation of the Elastic Properties of Graphenylene Using Molecular Dynamics Simulations
title_sort Investigation of the Elastic Properties of Graphenylene Using Molecular Dynamics Simulations
author Rouhi,Saeed
author_facet Rouhi,Saeed
Ghasemi,Ali
author_role author
author2 Ghasemi,Ali
author2_role author
dc.contributor.author.fl_str_mv Rouhi,Saeed
Ghasemi,Ali
dc.subject.por.fl_str_mv Molecular dynamics simulations
Graphenylene
Young's modulus
Bulk modulus
topic Molecular dynamics simulations
Graphenylene
Young's modulus
Bulk modulus
description Molecular dynamics simulations are used here to study the mechanical behavior of graphenylene under uni-directional and bi-directional loadings. The effects of nanosheet chirality and size on Young's modulus of graphenylene are investigated. Compared to graphene, graphenylene possess a smaller elastic modulus. It is shown that for large armchair and zigzag graphenylenes, the effect of nanosheet size on the mechanical properties can be neglected. It is observed that increasing temperature results in decreasing Young's modulus of graphenylene. Besides, fracture of graphenylene occurs at large strains. Moreover, it is represented that for small graphenylenes, bulk modulus is significantly sensitive to the size variation. However, this sensitivity disappears for large nanosheets.
publishDate 2017
dc.date.none.fl_str_mv 2017-02-01
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=S1516-14392017000100001
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392017000100001
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/1980-5373-mr-2015-0742
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 ABM, ABC, ABPol
publisher.none.fl_str_mv ABM, ABC, ABPol
dc.source.none.fl_str_mv Materials Research v.20 n.1 2017
reponame:Materials research (São Carlos. Online)
instname:Universidade Federal de São Carlos (UFSCAR)
instacron:ABM ABC ABPOL
instname_str Universidade Federal de São Carlos (UFSCAR)
instacron_str ABM ABC ABPOL
institution ABM ABC ABPOL
reponame_str Materials research (São Carlos. Online)
collection Materials research (São Carlos. Online)
repository.name.fl_str_mv Materials research (São Carlos. Online) - Universidade Federal de São Carlos (UFSCAR)
repository.mail.fl_str_mv dedz@power.ufscar.br
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