Size dependent melting properties of Bi nanoparticles by molecular dynamics simulation

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dc.authoridSENTURK DALGIC, SERAP/0000-0003-2541-9214
dc.contributor.authorDalgic, S. S.
dc.date.accessioned2024-06-12T10:54:27Z
dc.date.available2024-06-12T10:54:27Z
dc.date.issued2009
dc.departmentTrakya Üniversitesien_US
dc.description.abstractMolecular Dynamics (MD) simulation has been used to investigate the size dependent melting properties of different shaped Bismuth nanoparticles. MD calculations for spherical and prism shaped nanoparticles are carried out using the interatomic interactions modelled by the Modified Analytic Embedded Atom Method (MAEAM) type many body potentials. The structural properties such as radial distribution functions and self diffusion coefficients of nanoparticles have computed at different temperatures. Size dependent melting temperature of different shaped nanoparticles with free surface has obtained from the thermodynamic model developed by Nanda. MD predictions and present theoretical results have been analyzed and compared with experimental data. Both particle size dependent melting temperature and shape effect have been determined. It has been shown that the melting temperature of prism shaped Bi nanoparticles depend on non-linearly on the particle size. In the present work, two different regimes are clearly noticed for different shape Bi nanoparticles.en_US
dc.identifier.endpage2140en_US
dc.identifier.issn1454-4164
dc.identifier.issn1841-7132
dc.identifier.issue12en_US
dc.identifier.scopus2-s2.0-75949084491en_US
dc.identifier.scopusqualityQ4en_US
dc.identifier.startpage2133en_US
dc.identifier.urihttps://hdl.handle.net/20.500.14551/19060
dc.identifier.volume11en_US
dc.identifier.wosWOS:000273490800042en_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.subjectBi Nanoparticlesen_US
dc.subjectMelting Temperatureen_US
dc.subjectThermodynamic Modelen_US
dc.subjectCohesive Energyen_US
dc.subjectThermodynamic Modelen_US
dc.subjectCoordination-Numberen_US
dc.subjectTemperatureen_US
dc.subjectNanocrystalsen_US
dc.subjectDiffusionen_US
dc.subjectBehavioren_US
dc.titleSize dependent melting properties of Bi nanoparticles by molecular dynamics simulationen_US
dc.typeArticleen_US

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