Glass formation and structural properties of Zr50Cu50-xAlx bulk metallic glasses investigated by molecular dynamics simulations

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dc.authoridsengul, sedat/0000-0003-2690-9354
dc.authoridDömekeli, Ünal/0000-0003-1469-2602
dc.authoridÇeltek, Murat/0000-0001-7737-0411
dc.authorwosidsengul, sedat/AAY-6830-2021
dc.authorwosidDömekeli, Ünal/W-4061-2017
dc.authorwosidÇeltek, Murat/I-7813-2019
dc.contributor.authorCeltek, M.
dc.contributor.authorSengul, S.
dc.contributor.authorDomekeli, U.
dc.date.accessioned2024-06-12T11:08:24Z
dc.date.available2024-06-12T11:08:24Z
dc.date.issued2017
dc.departmentTrakya Üniversitesien_US
dc.description.abstractTemperature effects on the structural evolution and the glass formation of Zr50Cu50-xAlx (x = 0, 10, 20, 30, 40, and 50) in the liquid and glassy states are studied by classical molecular dynamics simulations. In order to perform a comprehensive comparison and analysis, we consider the Honeycutt-Andersen indices, Voronoi analysis, radial distribution functions, coordination numbers, enthalpy, specific heat, and self-diffusion coefficients in our classical simulations in conjunction with the many body tight binding and embedded atom method potentials. The simulated structural properties were found to be in good agreement with available experimental data for Al poor concentration. We may conclude that the Al is a key element in glass transition and icosahedral ordering in considered systems, Zr-Cu-Al alloys have the best GFA until the concentration of Al in ternary alloy reaches the value of 20% and the parameters of TB model potentials for Al need to improve to explain the aggregation of Al atoms in ternary Zr-Cu-Al alloy. (C) 2017 Elsevier Ltd. All rights reserved.en_US
dc.identifier.doi10.1016/j.intermet.2017.01.001
dc.identifier.endpage73en_US
dc.identifier.issn0966-9795
dc.identifier.issn1879-0216
dc.identifier.scopus2-s2.0-85008704999en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.startpage62en_US
dc.identifier.urihttps://doi.org/10.1016/j.intermet.2017.01.001
dc.identifier.urihttps://hdl.handle.net/20.500.14551/22411
dc.identifier.volume84en_US
dc.identifier.wosWOS:000399380300009en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevier Sci Ltden_US
dc.relation.ispartofIntermetallicsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectMetallic Glassesen_US
dc.subjectGlass Forming Abilityen_US
dc.subjectMolecular Dynamics Simulationen_US
dc.subjectThermal Propertiesen_US
dc.subjectSelf-Diffusion Coefficienten_US
dc.subjectZr-Cu-Alen_US
dc.subjectMechanical-Propertiesen_US
dc.subjectForming Abilityen_US
dc.subjectAlloysen_US
dc.subjectNien_US
dc.subjectStabilityen_US
dc.subjectTransformationen_US
dc.subjectOptimizationen_US
dc.subjectTransitionen_US
dc.subjectBehavioren_US
dc.titleGlass formation and structural properties of Zr50Cu50-xAlx bulk metallic glasses investigated by molecular dynamics simulationsen_US
dc.typeArticleen_US

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