Effects of Ag or Al addition to CuZr-based metallic alloys on glass formation and structural evolution: A molecular dynamics simulation study

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dc.authoridDömekeli, Ünal/0000-0003-1469-2602
dc.authoridsengul, sedat/0000-0003-2690-9354
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.authorDomekeli, U.
dc.contributor.authorSengul, S.
dc.contributor.authorCanan, C.
dc.date.accessioned2024-06-12T11:08:24Z
dc.date.available2024-06-12T11:08:24Z
dc.date.issued2021
dc.departmentTrakya Üniversitesien_US
dc.description.abstractThe local environment of Cu47.5Zr47.5M5 (M = Ag and Al) metallic liquids and glasses has been studied in detail using the embedded atom method combined with molecular dynamics simulations. The effects of the addition of Al and Ag separately to CuZr-based alloys on the microstructure have been comprehensively discussed in terms of structural functions, bond angle distributions, coordination numbers and common neighbor analysis. The simulated structure factors and coordination numbers are in good agreement with the experimental results the literature. According to different analysis results, it has been observed that Ag prefers Zr to Cu and Al prefers Cu to Zr as the neighboring atom. Our results show that Al is much more effective than Ag in the development of the icosahedral short range order, although the short range order of both glass-forming liquids and glasses shows a strong dependence on Ag and Al additions. In addition, the atomic radii of Ag and Al atoms are very close to each other, but results have shown that Ag atoms (12 = CN <= 15) tend to form interestingly larger clusters than Al atoms (12 = CN <= 14).en_US
dc.identifier.doi10.1016/j.intermet.2020.107023
dc.identifier.issn0966-9795
dc.identifier.issn1879-0216
dc.identifier.scopus2-s2.0-85095792580en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.urihttps://doi.org/10.1016/j.intermet.2020.107023
dc.identifier.urihttps://hdl.handle.net/20.500.14551/22410
dc.identifier.volume128en_US
dc.identifier.wosWOS:000596079900002en_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 Formationen_US
dc.subjectMolecular Dynamics Simulationen_US
dc.subjectIcosahedral Short Range Orderen_US
dc.subjectVoronoi Polyhedraen_US
dc.subjectCoordination Numberen_US
dc.titleEffects of Ag or Al addition to CuZr-based metallic alloys on glass formation and structural evolution: A molecular dynamics simulation studyen_US
dc.typeArticleen_US

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