Thermodynamic and dynamical properties and structural evolution of binary Zr80Pt20 metallic liquids and glasses: Molecular dynamics simulations

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dc.authoridhttp://orcid.org/0000-0001-7737-0411en_US
dc.authoridhttp://orcid.org/0000-0003-2690-9354en_US
dc.contributor.authorÇeltek, Murat
dc.contributor.authorŞengül, Sedat
dc.date.accessioned2019-12-20T11:34:52Z
dc.date.available2019-12-20T11:34:52Z
dc.date.issued2018
dc.departmentFakülteler, Eğitim Fakültesi, Matematik ve Fen Bilimleri Eğitimi Bölümüen_US
dc.departmentFakülteler, Fen Fakültesi, Fizik Bölümüen_US
dc.description.abstractThe structural evolutions and thermodynamic and dynamical properties of binary Zr80Pt20 metallic liquid and glass have been studied by classical molecular dynamics simulations. The calculated pair distribution functions at different temperatures agree well with the theoretical and the experimental results. The local atomic ordered structures of liquids and glasses have been characterized by the Honeycutt-Andersen index and Voronoi tessellation. High fractions of Pt-centered full icosahedra clusters (Z12) and Zr-centered icosahedra-like clusters (Z13-Z15) have been detected in both supercooled liquids and glasses, which are likely to be responsible for glass formation in Zr80Pt20 systems. Most of the Pt-centered clusters in the system are icosahedra, suggesting that the presence of Pt promotes the glass-forming ability. The critical temperature of the liquid Zr-Pt system is similar to 1025.42 K from the transport properties using mode coupling theory. At temperatures near the critical value, there is a dynamic crossover. These results show that the molecular dynamics results provide a powerful approach to obtain detailed chemical and topological ordering of metallic glasses and liquids when compared with experimental and theoretical results in the literature.en_US
dc.identifier.citationCeltek, M., & Sengul, S. (2018). Thermodynamic and dynamical properties and structural evolution of binary Zr80Pt20 metallic liquids and glasses: Molecular dynamics simulations. Journal of Non-Crystalline Solids, 498, 32-41.en_US
dc.identifier.doi10.1016/j.jnoncrysol.2018.06.003en_US
dc.identifier.endpage41en_US
dc.identifier.issn0022-3093
dc.identifier.issn1873-4812
dc.identifier.scopus2-s2.0-85048284839en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage32en_US
dc.identifier.urihttps://hdl.handle.net/20.500.14551/4852
dc.identifier.volume498en_US
dc.identifier.wosWOS:000440389500005en_US
dc.identifier.wosqualityQ1en_US
dc.indekslendigikaynakWeb fo Sciencesen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherELSEVIER SCIENCE BVen_US
dc.relation.ispartofJournal Citation Reportsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.snmz20240608_ID_Qen_US
dc.subjectMetallic glassesen_US
dc.subjectGlass forming abilityen_US
dc.subjectMolecular dynamics simulationen_US
dc.subjectCritical temperatureen_US
dc.subjectSelf-diffusion coefficienten_US
dc.subjectShort-range orderen_US
dc.subjectzr-pden_US
dc.subjectImpuritiesen_US
dc.subjectViscosityen_US
dc.subjectAlloysen_US
dc.subjectPhaseen_US
dc.subjectOrderen_US
dc.titleThermodynamic and dynamical properties and structural evolution of binary Zr80Pt20 metallic liquids and glasses: Molecular dynamics simulationsen_US
dc.typeArticleen_US

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