Concentration dependence of microstructural evolution of Zr-Pt liquid alloys: A molecular dynamics study

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dc.contributor.authorGuder, V.
dc.date.accessioned2024-06-12T11:17:28Z
dc.date.available2024-06-12T11:17:28Z
dc.date.issued2023
dc.departmentTrakya Üniversitesien_US
dc.description.abstractThe concentration dependence of the atomic structure and glass formation process of Zr100-xPtx (10 < x < 60) alloys were investigated by molecular dynamics simulations in this study. The agreement between the structural functions and the experimental data showed that the local order is reliably predicted. It was observed that the Zr40Pt60 alloy has the highest glass transition temperature and the fraction of crystal-like clusters. Common neighbor analysis revealed that the icosahedra and icosahedra-like clusters are more frequent for x < 50 concentrations, while bcc-like clusters are effective for x & GE; 50. It was seen that the local environment around Pt atoms would be more flexible, while Zr atoms would more easily adopt a preferential local packing according to their preferences. Present findings suggest that the strong chemical affinity between Zr and Pt plays an influential role in the nucleation of local structure in the system, and the addition of Pt weakens the icosahedra short-range order.en_US
dc.identifier.doi10.1016/j.chemphys.2023.112067
dc.identifier.issn0301-0104
dc.identifier.issn1873-4421
dc.identifier.scopus2-s2.0-85169901105en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1016/j.chemphys.2023.112067
dc.identifier.urihttps://hdl.handle.net/20.500.14551/24719
dc.identifier.volume575en_US
dc.identifier.wosWOS:001071802300001en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofChemical Physicsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectZr-Pt Metallic Glassen_US
dc.subjectGlass Transition Temperatureen_US
dc.subjectMolecular Dynamics Simulationsen_US
dc.subjectCoordination Analysisen_US
dc.subjectBond Angle Distributionsen_US
dc.subjectCommon Neighbor Analysisen_US
dc.subjectQuasi-Crystalline Phaseen_US
dc.subjectGlass-Forming Abilityen_US
dc.subjectStructural Evolutionen_US
dc.subjectAtomic Concentrationen_US
dc.subjectIcosahedral Orderen_US
dc.subjectCooling Rateen_US
dc.subjectPden_US
dc.subjectSolidificationen_US
dc.subjectSimulationsen_US
dc.subjectTransitionen_US
dc.titleConcentration dependence of microstructural evolution of Zr-Pt liquid alloys: A molecular dynamics studyen_US
dc.typeArticleen_US

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