Mechanical properties and fracture dynamics of silicene membranes

Detalhes bibliográficos
Autor(a) principal: Botari, Tiago
Data de Publicação: 2013
Outros Autores: Perim, Eric, Autreto, P. A.S., Paupitz, Ricardo [UNESP], Galvao, Douglas S.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UNESP
Texto Completo: http://dx.doi.org/10.1557/opl.2013.1055
http://hdl.handle.net/11449/227885
Resumo: The advent of graphene created a new era in materials science. Graphene is a two-dimensional planar honeycomb array of carbon atoms in sp2-hybridized states. A natural question is whether other elements of the IV-group of the periodic table (such as silicon and germanium), could also form graphene-like structures. Structurally, the silicon equivalent to graphene is called silicene. Silicene was theoretically predicted in 1994 and recently experimentally realized by different groups. Similarly to graphene, silicene exhibits electronic and mechanical properties that can be exploited to nanoelectronics applications. In this work we have investigated, through fully atomistic molecular dynamics (MD) simulations, the mechanical properties of single-layer silicene under mechanical strain. These simulations were carried out using a reactive force field (ReaxFF), as implemented in the LAMMPS code. We have calculated the elastic properties and the fracture patterns. Our results show that the dynamics of the whole fracturing processes of silicene present some similarities with that of graphene as well as some unique features.
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spelling Mechanical properties and fracture dynamics of silicene membranesThe advent of graphene created a new era in materials science. Graphene is a two-dimensional planar honeycomb array of carbon atoms in sp2-hybridized states. A natural question is whether other elements of the IV-group of the periodic table (such as silicon and germanium), could also form graphene-like structures. Structurally, the silicon equivalent to graphene is called silicene. Silicene was theoretically predicted in 1994 and recently experimentally realized by different groups. Similarly to graphene, silicene exhibits electronic and mechanical properties that can be exploited to nanoelectronics applications. In this work we have investigated, through fully atomistic molecular dynamics (MD) simulations, the mechanical properties of single-layer silicene under mechanical strain. These simulations were carried out using a reactive force field (ReaxFF), as implemented in the LAMMPS code. We have calculated the elastic properties and the fracture patterns. Our results show that the dynamics of the whole fracturing processes of silicene present some similarities with that of graphene as well as some unique features.Instituto de Física 'Gleb Wataghin' Universidade Estadual de CampinasDepartamento de Física IGCE Universidade Estadual PaulistaDepartamento de Física IGCE Universidade Estadual PaulistaUniversidade Estadual de Campinas (UNICAMP)Universidade Estadual Paulista (UNESP)Botari, TiagoPerim, EricAutreto, P. A.S.Paupitz, Ricardo [UNESP]Galvao, Douglas S.2022-04-29T07:21:47Z2022-04-29T07:21:47Z2013-11-07info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article99-107http://dx.doi.org/10.1557/opl.2013.1055Perspectives on Politics, v. 1549, n. 2, p. 99-107, 2013.1537-5927http://hdl.handle.net/11449/22788510.1557/opl.2013.10552-s2.0-84908670784Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengPerspectives on Politicsinfo:eu-repo/semantics/openAccess2022-04-29T07:21:47Zoai:repositorio.unesp.br:11449/227885Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-08-05T22:52:55.188324Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false
dc.title.none.fl_str_mv Mechanical properties and fracture dynamics of silicene membranes
title Mechanical properties and fracture dynamics of silicene membranes
spellingShingle Mechanical properties and fracture dynamics of silicene membranes
Botari, Tiago
title_short Mechanical properties and fracture dynamics of silicene membranes
title_full Mechanical properties and fracture dynamics of silicene membranes
title_fullStr Mechanical properties and fracture dynamics of silicene membranes
title_full_unstemmed Mechanical properties and fracture dynamics of silicene membranes
title_sort Mechanical properties and fracture dynamics of silicene membranes
author Botari, Tiago
author_facet Botari, Tiago
Perim, Eric
Autreto, P. A.S.
Paupitz, Ricardo [UNESP]
Galvao, Douglas S.
author_role author
author2 Perim, Eric
Autreto, P. A.S.
Paupitz, Ricardo [UNESP]
Galvao, Douglas S.
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Universidade Estadual de Campinas (UNICAMP)
Universidade Estadual Paulista (UNESP)
dc.contributor.author.fl_str_mv Botari, Tiago
Perim, Eric
Autreto, P. A.S.
Paupitz, Ricardo [UNESP]
Galvao, Douglas S.
description The advent of graphene created a new era in materials science. Graphene is a two-dimensional planar honeycomb array of carbon atoms in sp2-hybridized states. A natural question is whether other elements of the IV-group of the periodic table (such as silicon and germanium), could also form graphene-like structures. Structurally, the silicon equivalent to graphene is called silicene. Silicene was theoretically predicted in 1994 and recently experimentally realized by different groups. Similarly to graphene, silicene exhibits electronic and mechanical properties that can be exploited to nanoelectronics applications. In this work we have investigated, through fully atomistic molecular dynamics (MD) simulations, the mechanical properties of single-layer silicene under mechanical strain. These simulations were carried out using a reactive force field (ReaxFF), as implemented in the LAMMPS code. We have calculated the elastic properties and the fracture patterns. Our results show that the dynamics of the whole fracturing processes of silicene present some similarities with that of graphene as well as some unique features.
publishDate 2013
dc.date.none.fl_str_mv 2013-11-07
2022-04-29T07:21:47Z
2022-04-29T07:21:47Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://dx.doi.org/10.1557/opl.2013.1055
Perspectives on Politics, v. 1549, n. 2, p. 99-107, 2013.
1537-5927
http://hdl.handle.net/11449/227885
10.1557/opl.2013.1055
2-s2.0-84908670784
url http://dx.doi.org/10.1557/opl.2013.1055
http://hdl.handle.net/11449/227885
identifier_str_mv Perspectives on Politics, v. 1549, n. 2, p. 99-107, 2013.
1537-5927
10.1557/opl.2013.1055
2-s2.0-84908670784
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Perspectives on Politics
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 99-107
dc.source.none.fl_str_mv Scopus
reponame:Repositório Institucional da UNESP
instname:Universidade Estadual Paulista (UNESP)
instacron:UNESP
instname_str Universidade Estadual Paulista (UNESP)
instacron_str UNESP
institution UNESP
reponame_str Repositório Institucional da UNESP
collection Repositório Institucional da UNESP
repository.name.fl_str_mv Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)
repository.mail.fl_str_mv
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