The calculation of some thermoelastic properties and pressure-temperature (P-T) diagrams of Rh and Sr using molecular dynamics simulation

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dc.contributor.authorCiftci, Y. O.
dc.contributor.authorColakoglu, K.
dc.contributor.authorOzgen, S.
dc.contributor.authorKazanc, S.
dc.date.accessioned2026-08-12T17:13:38Z
dc.date.issued2007
dc.departmentFırat Üniversitesi
dc.description.abstractIn this study, molecular dynamics simulations are carried out using a modified many-body Morse potential function in the framework of the embedded-atom method (EAM). Pressure-temperature (P-T) diagrams are determined for Rh and Sr. For the metals the bulk moduli are calculated from the pressure versus volume curves, and specific heats are calculated from the enthalpy versus temperature curves. The temperature and pressure dependence of the elastic constants and bulk moduli are also calculated for Rh and Sr. The obtained results are in good agreement with the available experimental data.
dc.identifier.doi10.1088/0953-8984/19/32/326204
dc.identifier.issn0953-8984
dc.identifier.issn1361-648X
dc.identifier.issue32
dc.identifier.orcid0000-0003-4292-9187
dc.identifier.orcid0009-0007-2043-1640
dc.identifier.orcid0000-0003-1796-0270
dc.identifier.orcid0000-0002-8896-8571
dc.identifier.scopus2-s2.0-34547307223
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1088/0953-8984/19/32/326204
dc.identifier.urihttps://hdl.handle.net/11508/51509
dc.identifier.volume19
dc.identifier.wosWOS:000248185800011
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherIop Publishing Ltd
dc.relation.ispartofJournal of Physics-Condensed Matter
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20260511
dc.subjectEmbedded-Atom Method
dc.subjectMechanical-Properties
dc.subjectElastic-Constants
dc.subjectPhase-Diagram
dc.subjectFcc
dc.subjectDependence
dc.subjectMetals
dc.subjectState
dc.subjectTransitions
dc.subjectRange
dc.titleThe calculation of some thermoelastic properties and pressure-temperature (P-T) diagrams of Rh and Sr using molecular dynamics simulation
dc.typeArticle

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