The influence of temperature and strain rate on the mechanical properties of graphene-like C4N3 structure

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dc.authoridŞentürk, Ahmet Emin/0000-0003-1493-0965en_US
dc.contributor.authorŞentürk, Ahmet Emin
dc.date.accessioned2024-07-12T21:37:56Z
dc.date.available2024-07-12T21:37:56Z
dc.date.issued2022en_US
dc.department[Belirlenecek]en_US
dc.description.abstractPurpose: In this manuscript, the influences of various temperatures along the different loading directions and various strain rates on the mechanical properties of graphene-like C4N3 structure were systematically studied, using molecular dynamics (MD) simulations. Theory and Methods: In this manuscript, LAMMPS package, which is open-source MD software, was utilized for implementing all MD simulations of graphene-like C4N3 structure. To calculate the mechanical properties, the physical model of this structure consisting of 6827 atoms was built with approximately 15 nm in length and 15 nm in width. To achieve the mechanical properties of graphene-like C4N3 structure, uniaxial tensile test was implemented for loading condition at 300 K. Results: As a result of this investigation, the mechanical properties (ultimate tensile strength, Young's modulus and failure strain) of graphene-like C4N3 structure gradually decrease with increasing the temperature from 200 K to 900 K. It can be assert that the mechanical properties of graphene-like C4N3 structure is isotropic along armchair and zigzag directions. The mechanical properties of graphene-like C4N3 structure indicate an increasing trend, as the strain rate increases from 10(7) s(-1) to 10(9) s(-1). MD simulation results indicate graphene-like C4N3 structure shows brittle failure mechanism at 300 K because the rupture and initial debonding of this structure happen at so close strain level. Conclusion: According to the results of MD simulations, graphene-like C4N3 structure shows ultra high mechanical properties. The cohesive energy of this structure is negative, which confirms that graphene-like C4N3 structure structure is energetically stable. For graphene-like C4N3 structure, the lower mechanical properties values occur at higher temperatures since the atomic bonds become weaker. In addition, when the strain rate increases, the ultimate tensile strength, Young's modulus and failure strain of graphene-like C4N3 structure show an increasing trend.en_US
dc.identifier.doi10.17341/gazimmfd.761601
dc.identifier.endpage1491en_US
dc.identifier.issn1300-1884
dc.identifier.issn1304-4915
dc.identifier.issue3en_US
dc.identifier.scopus2-s2.0-85128748118en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage1483en_US
dc.identifier.trdizinid508613en_US
dc.identifier.urihttps://doi.org/10.17341/gazimmfd.761601
dc.identifier.urihttps://search.trdizin.gov.tr/yayin/detay/508613
dc.identifier.urihttps://hdl.handle.net/20.500.12415/6972
dc.identifier.volume37en_US
dc.identifier.wosWOS:000834843300026en_US
dc.identifier.wosqualityQ4en_US
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakTR-Dizin
dc.language.isoenen_US
dc.publisherGazi Univ, Fac Engineering Architectureen_US
dc.relation.ispartofJournal of The Faculty of Engineering And Architecture of Gazi Universityen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.snmzKY04314
dc.subjectGraphene-Like Structureen_US
dc.subjectMolecular Dynamicsen_US
dc.subjectMechanical Propertiesen_US
dc.subjectTemperatureen_US
dc.subjectStrain Rateen_US
dc.titleThe influence of temperature and strain rate on the mechanical properties of graphene-like C4N3 structureen_US
dc.typeArticle
dspace.entity.typePublication

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