Thermodynamic Properties of Potassium Oxide (K2O) Nanoparticles by Molecular Dynamics Simulations

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dc.authoridGüder, Vildan/0000-0002-8673-2127
dc.authoridSENTURK DALGIC, SERAP/0000-0003-2541-9214
dc.authorwosidGüder, Vildan/W-4191-2017
dc.contributor.authorGuder, V.
dc.contributor.authorDalgic, S. Senturk
dc.date.accessioned2024-06-12T11:17:32Z
dc.date.available2024-06-12T11:17:32Z
dc.date.issued2017
dc.departmentTrakya Üniversitesien_US
dc.description6th Congress and Exhibition on International Advances in Applied Physics and Materials Science (APMAS) -- JUN 01-03, 2016 -- Istanbul, TURKEYen_US
dc.description.abstractPotassium oxide (K2O) is a reagent for testing the presence of other compounds in chemical reactions. It is also used in compounding cement and in glass making. However properties of K2O in nanoscale are still unclear. In this work, thermodynamic properties of spherical K2O nanoparticles have been investigated. Size dependent cohesive energy, melting point and glass transition temperature have been computed for different sizes of K2O nanoparticles by molecular dynamics simulations. Thermal expansion coefficients of nanoparticles at zero pressure and various temperatures have been also calculated. Melting point depression for K2O nanoparticles was determined. The significant change in cohesive energy was obtained for particles smaller than 5.4 nm. The presented model is successful in understanding the size-dependent thermodynamics of spherical K2O nanoparticles. Theoretical investigations of the thermal properties of K2O nanoparticles have not been presented previously.en_US
dc.description.sponsorshipTrakya University - Turkish Council of Higher Education OYP Programmeen_US
dc.description.sponsorshipThis research was supported by Trakya University - Turkish Council of Higher Education OYP Programme.en_US
dc.identifier.doi10.12693/APhysPolA.131.490
dc.identifier.endpage494en_US
dc.identifier.issn0587-4246
dc.identifier.issn1898-794X
dc.identifier.issue3en_US
dc.identifier.scopus2-s2.0-85018708797en_US
dc.identifier.scopusqualityQ4en_US
dc.identifier.startpage490en_US
dc.identifier.urihttps://doi.org/10.12693/APhysPolA.131.490
dc.identifier.urihttps://hdl.handle.net/20.500.14551/24747
dc.identifier.volume131en_US
dc.identifier.wosWOS:000400905500044en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherPolish Acad Sciences Inst Physicsen_US
dc.relation.ispartofActa Physica Polonica Aen_US
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectAlkali-Metal Oxidesen_US
dc.subjectElastic Propertiesen_US
dc.subjectAb-Initioen_US
dc.subjectLithiumen_US
dc.subjectSodiumen_US
dc.subjectPressureen_US
dc.titleThermodynamic Properties of Potassium Oxide (K2O) Nanoparticles by Molecular Dynamics Simulationsen_US
dc.typeConference Objecten_US

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