Failure analysis of graphene sheets with multiple Stone-Thrower-Wales defects using molecular mechanics based nonlinear finite element models

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dc.authorid0000-0001-7583-7655
dc.authorid0000-0002-5293-7562
dc.contributor.authorBaykasoğlu, Cengiz
dc.contributor.authorMuğan, Ata
dc.date.accessioned2019-03-04T13:52:49Z
dc.date.available2019-03-04T13:52:49Z
dc.date.issued2018-06-09
dc.departmentHitit Üniversitesi, Mühendislik Fakültesi, Makine Mühendisliği Bölümü
dc.description.abstractExperimental studies show that Stone-Thrower-Wales (STW) defects generally exist in graphene sheets (GSs) and these defects considerably affect the fracture strength of GSs. Thus, prediction of failure modes of GSs with STW defects is useful for design of graphene based nanomaterials. In this paper, effects of multiple STW defects on fracture behavior of GSs are investigated by employing molecular mechanics based nonlinear finite element models. The modified Morse potential is used to define the non-linear characteristic of covalent bonds between carbon atoms and geometric nonlinearity effects are considered in models. Different tilting angles of STW defects are considered in simulations. The analysis results showed that the fracture strength of GSs strongly depends on tilting angle of multiple STW defects and the STW defects cause significant strength loss in GSs. The crack initiation and propagation are also studied and brittle failure characteristics are observed for all samples. The results obtained from this study provide some insights into design of GS based-structures with multiple STW defects.
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dc.description.provenanceMade available in DSpace on 2019-03-04T13:52:49Z (GMT). No. of bitstreams: 1 Failure Analysis of Graphene.pdf: 773283 bytes, checksum: 7795741554065dccc4bf896cfa405052 (MD5) Previous issue date: 2018-06-09en
dc.identifier.citationBaykasoglu, C., & Mugan, A. (2017). Failure Analysis of Graphene Sheets with Multiple Stone-Thrower-Wales Defects Using Molecular-Mechanics Based Nonlinear Finite Element Models. Hittite Journal of Science & Engineering, 5(1), 19-24.
dc.identifier.doi10.17350/HJSE19030000073
dc.identifier.endpage24en_US
dc.identifier.issn2148-4171
dc.identifier.issue1en_US
dc.identifier.startpage19en_US
dc.identifier.urihttps://hdl.handle.net/11491/122
dc.identifier.uriDOI:10.17350/HJSE19030000073
dc.identifier.volume5en_US
dc.indekslendigikaynakTR-Dizin
dc.language.isoen
dc.publisherHitit Üniversitesi Fen Bilimleri Enstitüsü
dc.relation.ispartofHittite Journal of Science and Engineering
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectGraphene Sheeten_US
dc.subjectFractureen_US
dc.subjectTilting Angleen_US
dc.subjectMolecular Mechanicen_US
dc.subjectStone-Thrower-Wales (5-7-7-5) Defectsen_US
dc.titleFailure analysis of graphene sheets with multiple Stone-Thrower-Wales defects using molecular mechanics based nonlinear finite element models
dc.typeArticle

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