Computational Modeling of the Liquid Structure of Grossular Ca3Al2Si3O12 Glass-Ceramics

Simple item page
dc.authoridGüder, Vildan/0000-0002-8673-2127
dc.authorwosidGüder, Vildan/W-4191-2017
dc.contributor.authorDalgic, S. Senturk
dc.contributor.authorGuder, V.
dc.date.accessioned2024-06-12T11:19:22Z
dc.date.available2024-06-12T11:19:22Z
dc.date.issued2016
dc.departmentTrakya Üniversitesien_US
dc.description5th International Advances in Applied Physics and Materials Science Congress and Exhibition (APMAS) -- APR 16-19, 2015 -- Oludeniz, TURKEYen_US
dc.description.abstractIn this work, we present an atomistic model to simulate the structural and some thermodynamic properties of biomaterials as a test case of grossular glass-ceramics. The potential model used in our simulations included short range Born-Mayer type forces and long-range Coulomb interactions. We modelled the atomistic structure of grossular using the different structural optimization methods in conjunction with molecular dynamics simulations. The calculated values of the lattice constant, bulk modulus, elastic constants and cohesive energy are in reasonable agreement with experimental measurements and previous data. The melting point of grossular produced from a volume of the heating process is in a good agreement with literature. Comparison of the predictions of partial pair distribution functions and available experimental data shows that this model has simulated the liquid structure of grossular reasonably well.en_US
dc.identifier.doi10.12693/APhysPolA.129.535
dc.identifier.endpage537en_US
dc.identifier.issn0587-4246
dc.identifier.issn1898-794X
dc.identifier.issue4en_US
dc.identifier.scopus2-s2.0-84971401722en_US
dc.identifier.scopusqualityQ4en_US
dc.identifier.startpage535en_US
dc.identifier.urihttps://doi.org/10.12693/APhysPolA.129.535
dc.identifier.urihttps://hdl.handle.net/20.500.14551/25182
dc.identifier.volume129en_US
dc.identifier.wosWOS:000376595000030en_US
dc.identifier.wosqualityQ4en_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.subjectMolecular-Dynamics Simulationsen_US
dc.subjectSilicate Meltsen_US
dc.subjectGarnetsen_US
dc.titleComputational Modeling of the Liquid Structure of Grossular Ca3Al2Si3O12 Glass-Ceramicsen_US
dc.typeConference Objecten_US

Files

Collections

WoS İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu

We collect and process your personal information for the following purposes: Authentication, Preferences, Acknowledgement and Statistics.
To learn more, please read our privacy policy.

Customize