The effect of atomic concentration on the structural evolution of Zr100-xCox alloys during rapid solidification process

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dc.authoridÇeltek, Murat/0000-0001-7737-0411
dc.authorwosidÇeltek, Murat/I-7813-2019
dc.contributor.authorCeltek, Murat
dc.date.accessioned2024-06-12T11:02:39Z
dc.date.available2024-06-12T11:02:39Z
dc.date.issued2019
dc.departmentTrakya Üniversitesien_US
dc.description.abstractThe effects of the concentration on the glass formation, the crystallization process, and atomic structure of Zr100-xCox (x = 10, 30, 50, 70, and 90) alloys were investigated by classical molecular dynamics simulation based on the embedded atom method during rapid quenching. The structural evolution of these systems was evaluated by analyzing some structural functions and structural characterization methods. The calculated coordination number and structure factor were compared with the experimental data and it was observed that there was a good agreement between the molecular dynamics simulation and experimental results. Simulations performed for this study revealed that the local environment depends on the atomic composition in the Zr-Co alloy. The liquid - glass transition was observed for the concentrations of Co in the range of 30-90%, which is consistent with the experimental glass forming range for Zr100-xCox alloys. The Voronoi and Honeycutt-Andersen pair analysis showed that the number of pairs and bonds reflecting the development of the icosahedral short range order increased with increased Co concentration and the Zr30Co70 alloy, having a large number of ideal and distorted icosahedrons with respect to other compositions considered in present study, has the highest fraction of Co-centered full icosahedral <0,0,12,0> clusters. Analysis results showed that in Zr90Co10 alloy, the number of <0,6,0,8> clusters denoting the transition to bcc structure remarkably increased, and <0,3,6,4>, <0,5,2,6> and <0,4,4,6> clusters play a key role during the crystallization process.en_US
dc.identifier.doi10.1016/j.jnoncrysol.2019.03.014
dc.identifier.endpage96en_US
dc.identifier.issn0022-3093
dc.identifier.issn1873-4812
dc.identifier.scopus2-s2.0-85063350276en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage84en_US
dc.identifier.urihttps://doi.org/10.1016/j.jnoncrysol.2019.03.014
dc.identifier.urihttps://hdl.handle.net/20.500.14551/21370
dc.identifier.volume513en_US
dc.identifier.wosWOS:000469890700012en_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.subjectGlass Transition Temperatureen_US
dc.subjectShort-Range Orderen_US
dc.subjectMolecular Dynamic Simulationsen_US
dc.subjectHoneycutt-Andersen Indexen_US
dc.subjectVoronoi Tessellationen_US
dc.subjectMolecular-Dynamics Simulationsen_US
dc.subjectBulk Metallic Glassesen_US
dc.subjectSupercooled Liquiden_US
dc.subjectAmorphous-Alloysen_US
dc.subjectHigh-Strengthen_US
dc.subjectCooling Rateen_US
dc.subjectRange Orderen_US
dc.subjectCo-Zren_US
dc.subjectCrystalsen_US
dc.subjectPackingen_US
dc.titleThe effect of atomic concentration on the structural evolution of Zr100-xCox alloys during rapid solidification processen_US
dc.typeArticleen_US

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