Thermal conductivity and mechanical properties of graphene-like BC2, BC(3)and B4C3

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dc.authorid0000-0003-1493-0965en_US
dc.contributor.authorŞentürk, Ahmet Emin
dc.contributor.authorÖktem, Ahmet Sinan
dc.contributor.authorKonukman, Alp Er S.
dc.date.accessioned2024-07-12T21:41:03Z
dc.date.available2024-07-12T21:41:03Z
dc.date.issued2020en_US
dc.departmentFakülteler, Mühendislik ve Doğa Bilimleri Fakültesi, Endüstri Mühendisliği Bölümüen_US
dc.description.abstractRecently, carbon-based 2D nanomaterials have received significant attention because of their superior physical properties. In this investigation, the thermal conductivity (TC) and mechanical properties of graphene-like BC2, BC(3)and B(4)C(3)structures are systematically examined, using molecular dynamics (MD) simulations. For graphene-like BC2, BC(3)and B(4)C(3)structures, our MD results predict remarkably high thermal and mechanical properties. Especially, graphene-like BC(3)structure indicates higher mechanical properties than graphene-like BC(2)and B(4)C(3)structures. Also, the mechanical properties of these graphene-like structures are investigated at four various temperatures from 200 to 900 K. Our results indicate that the mechanical properties of graphene-like structures gradually decrease as the temperature rises. In addition, the failure processes of graphene-like BC2, BC(3)and B(4)C(3)structures are examined at room temperature. According to the MD simulations, these graphene-like structures show brittle failure mechanism. In addition, graphene-like BC(3)structure is more stretchable than other structures. Remarkably, non-equilibrium MD simulation results demonstrate ultra high TC values of graphene-like BC2, BC(3)and B(4)C(3)structures and so propose them for thermal management of polymeric materials or in nanoelectronics. Similar to the mechanical properties, graphene-like BC(3)has higher TC value than others.en_US
dc.identifier.citationŞenturk, A. E., Öktem, A. S. ve Konukman, A. E. S. (2020). Thermal conductivity and mechanical properties of graphene-like BC2, BC(3)and B4C3. Molecular Simulation, 46(12), s. 879-888.en_US
dc.identifier.doi10.1080/08927022.2020.1786085
dc.identifier.endpage888en_US
dc.identifier.issn1029-0435
dc.identifier.issue12en_US
dc.identifier.scopus2-s2.0-85087610005en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage879en_US
dc.identifier.urihttps://www.tandfonline.com/doi/full/10.1080/08927022.2020.1786085
dc.identifier.urihttps://doi.prg/10.1080/08927022.2020.1786085
dc.identifier.urihttps://hdl.handle.net/20.500.12415/7566
dc.identifier.volume46en_US
dc.identifier.wosWOS:000547428400001en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoenen_US
dc.publisherTaylor & Francis Onlineen_US
dc.relation.ispartofMolecular Simulationen_US
dc.relation.publicationcategoryUluslararası Hakemli Dergide Makale - Kurum Öğretim Elemanıen_US
dc.rightsCC0 1.0 Universal*
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.rights.urihttp://creativecommons.org/publicdomain/zero/1.0/*
dc.snmzKY02985
dc.subjectgraphene-like structuresen_US
dc.subjectmolecular dynamicsen_US
dc.subjectmechanical propertiesen_US
dc.subjectthermal conductivityen_US
dc.titleThermal conductivity and mechanical properties of graphene-like BC2, BC(3)and B4C3en_US
dc.typeArticle
dspace.entity.typePublication

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