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NPT Simulation and Hypernetted-Chain Calculations of SrCl2

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dc.contributor.authorAkgenc, B.
dc.contributor.authorAkdere, U.
dc.contributor.authorGunay, S. D.
dc.contributor.authorTasseven, C.
dc.contributor.institutionauthorTAŞSEVEN, Çetin
dc.date.accessioned2026-06-27T13:30:23Z
dc.date.issued2013
dc.description.abstractTransition to fast-ion conducting phase and liquid phase of SrCl2, was investigated the molecular dynamics simulation in constant pressure-temperature ensemble (NPT) and hypernetted-chain theory using the fully ionic rigid ion potential widely exist in literature. Both; the redig transition and melting temperatures were over estimated. Results suggest that a new pair potential is needed to model the interactions in SrCl2en
dc.description.urihttps://doi.org/10.1063/1.4849219
dc.identifier.doi10.1063/1.4849219
dc.identifier.endpage18
dc.identifier.isbn978-0-7354-1197-5
dc.identifier.issn0094-243X
dc.identifier.startpage15
dc.identifier.urihttps://hdl.handle.net/20.500.14981/53322
dc.identifier.volume1569
dc.identifier.wos000331654900004
dc.language.isoeng
dc.publisherAMER INST PHYSICS
dc.relation.conference3rd International Congress on Advances in Applied Physics and Materials Science
dc.relation.ispartof3RD INTERNATIONAL ADVANCES IN APPLIED PHYSICS AND MATERIALS SCIENCE CONGRESS
dc.subjectMolecular dynamics
dc.subjectNPT ensemble
dc.subjectSrCl2
dc.subjecthypernetted-chain
dc.subjectMOLECULAR-DYNAMICS SIMULATION
dc.subjectFAST-ION CONDUCTION
dc.subjectMaterials Science
dc.subjectPhysics
dc.titleNPT Simulation and Hypernetted-Chain Calculations of SrCl2
dc.typeProceedings Paper
dspace.entity.typePublication
local.import.sourceWOS

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