Dynamical and structural properties of metallic liquid and glass Zr48Cu36Ag8Al8 alloy studied by molecular dynamics simulation

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dc.authoridDömekeli, Ünal/0000-0003-1469-2602
dc.authoridsengul, sedat/0000-0003-2690-9354
dc.authoridGUDER, VILDAN/0000-0002-8673-2127
dc.authoridCELTEK, Murat/0000-0001-7737-0411
dc.authorwosidDömekeli, Ünal/W-4061-2017
dc.authorwosidsengul, sedat/AAY-6830-2021
dc.authorwosidCELTEK, Murat/W-3351-2017
dc.contributor.authorCeltek, M.
dc.contributor.authorSengul, S.
dc.contributor.authorDomekeli, U.
dc.contributor.authorGuder, V.
dc.date.accessioned2024-06-12T10:55:25Z
dc.date.available2024-06-12T10:55:25Z
dc.date.issued2021
dc.departmentTrakya Üniversitesien_US
dc.description.abstractThe structure and dynamics of the Zr48Cu36Ag8Al8 alloy were investigated by molecular dynamics simulation method using the embedded atom method (EAM) and tight-binding (TB) potentials. Total structure factors and pair distribution functions calculated from both potentials are in good agreement with the reported experimental data. The glass transition temperature was determined more easily by using the Wendt-Abraham parameter, which we modified with small changes. The fraction of 1551-bonded pairs and Zr-, Cu-, Ag- and Al-centered icosahedral-like clusters increased with decreasing temperature. High fractions of Cu-, Ag- and Al-centered perfect icosahedra and Zr-centered icosahedra-like clusters were detected in both supercooled liquids and glasses. The critical temperature was determined to be similar to 760.65 K from mode coupling theory. Although the results for the EAM and TB potentials were largely consistent with the experiment, aggregations were detected in the Ag and Al atoms at low temperatures for the EAM potential.en_US
dc.identifier.doi10.1016/j.jnoncrysol.2021.120890
dc.identifier.issn0022-3093
dc.identifier.issn1873-4812
dc.identifier.scopus2-s2.0-85105598837en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1016/j.jnoncrysol.2021.120890
dc.identifier.urihttps://hdl.handle.net/20.500.14551/19405
dc.identifier.volume566en_US
dc.identifier.wosWOS:000663429000004en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofJournal Of Non-Crystalline Solidsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectBulk Metallic Glassesen_US
dc.subjectMolecular Dynamics Simulationen_US
dc.subjectIcosahedral Short Range Orderen_US
dc.subjectVoronoi Polyhedraen_US
dc.subjectWendt-Abraham Parameteren_US
dc.subjectSelf-Diffusion Coefficienten_US
dc.subjectCu-Zren_US
dc.subjectMechanical-Propertiesen_US
dc.subjectForming Abilityen_US
dc.subjectCooling Rateen_US
dc.subjectStabilityen_US
dc.subjectEvolutionen_US
dc.subjectCrystallizationen_US
dc.subjectDependenceen_US
dc.subjectCriterionen_US
dc.subjectViscosityen_US
dc.titleDynamical and structural properties of metallic liquid and glass Zr48Cu36Ag8Al8 alloy studied by molecular dynamics simulationen_US
dc.typeArticleen_US

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