Size dependence of melting process of ZnSe nanowires: molecular dynamics simulations

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dc.authoridsengul, sedat/0000-0003-2690-9354
dc.authorwosidsengul, sedat/AAY-6830-2021
dc.contributor.authorSengul, S.
dc.contributor.authorDalgic, S. Senturk
dc.date.accessioned2024-06-12T11:17:28Z
dc.date.available2024-06-12T11:17:28Z
dc.date.issued2011
dc.departmentTrakya Üniversitesien_US
dc.description.abstractIt is known that the stable crystal structure of ZnSe nanowires depends on the nanowire diameter. For this reason, we have focused on the impact of size of ZnSe nanowires on their structural properties. The molecular dynamics (MD) simulations have performed to especially discuss consequences for size effect on melting process for ZnSe nanostructures with cylindrical shape. The interactions between the atoms in system have defined by an empirical model potential developed for semiconductor metal-chalcogenides. The nanowires studied in this work have a different number of diameters and have generated by assembling the zincblende unit cell. Periodic boundary conditions have applied only along c-axis. The size effect on melting of nanowires has investigated. Some structural and dynamic properties such as distribution functions, mean square displacements and diffusion coefficients have also calculated to get detailed information about the nature of melting process of ZnSe nanowires. Calculations show that melting temperatures of ZnSe nanowires are lower than that of bulk and highly related with the size of the nanowires.en_US
dc.identifier.endpage1547en_US
dc.identifier.issn1454-4164
dc.identifier.issue11-12en_US
dc.identifier.scopus2-s2.0-84855477262en_US
dc.identifier.scopusqualityQ4en_US
dc.identifier.startpage1542en_US
dc.identifier.urihttps://hdl.handle.net/20.500.14551/24715
dc.identifier.volume13en_US
dc.identifier.wosWOS:000298834200036en_US
dc.identifier.wosqualityQ4en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherNatl Inst Optoelectronicsen_US
dc.relation.ispartofJournal Of Optoelectronics And Advanced Materialsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectZnse Nanowiresen_US
dc.subjectTersoff Potentialsen_US
dc.subjectMolecular Dynamics Simulationsen_US
dc.subjectTemperatureen_US
dc.subjectCdseen_US
dc.titleSize dependence of melting process of ZnSe nanowires: molecular dynamics simulationsen_US
dc.typeArticleen_US

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