MODELLING THE COHESIVE ENERGY OF CHALCOGENIDE NANOPARTICLES

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dc.authoridSENTURK DALGIC, SERAP/0000-0003-2541-9214
dc.contributor.authorDalgic, S. S.
dc.date.accessioned2024-06-12T11:08:58Z
dc.date.available2024-06-12T11:08:58Z
dc.date.issued2009
dc.departmentTrakya Üniversitesien_US
dc.descriptionNATO-Advanced-Study-Institute on Nanostructured Materials for Advanced Technological Applications -- JUN 01-13, 2008 -- Sozopol, BULGARIAen_US
dc.description.abstractA new technique for the optimization of the potential parameters of the modified analytic embedded atom method (MAEAM) which is Used for the simulation and theoretical calculation of metal nanoparticles has been developed ill this work. A size dependent cohesive energy model is proposed ill order to describe the melting evolution and diffusion behaviour of chalcogenide nanoparticles. The melting process of nanoparticles, which occurs ill three stages, has been analysized using molecular dynamics simulation and liquid state theories. The proposed scheme is applied to two different EAM function sets validated for outer and inner shells, respectively. The MAEAM potential parameters have been determined by fitting the cohesive energy and other physical properties at each level. This model has been applied to Se nanoparticles as a test case. It is compared with other theoretical models as well as the available experimental data.en_US
dc.description.sponsorshipNATO, Adv Study Insten_US
dc.identifier.doi10.1007/978-1-4020-9916-8_7
dc.identifier.endpage95en_US
dc.identifier.isbn978-1-4020-9914-4
dc.identifier.issn1871-465X
dc.identifier.scopus2-s2.0-77949380593en_US
dc.identifier.scopusqualityN/Aen_US
dc.identifier.startpage87en_US
dc.identifier.urihttps://doi.org/10.1007/978-1-4020-9916-8_7
dc.identifier.urihttps://hdl.handle.net/20.500.14551/22634
dc.identifier.wosWOS:000264872500007en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherSpringeren_US
dc.relation.ispartofNanostructured Materials For Advanced Technological Applicationsen_US
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectNanoparticlesen_US
dc.subjectCohesive Energyen_US
dc.subjectMelting Processen_US
dc.subjectInteratomic Potentialen_US
dc.titleMODELLING THE COHESIVE ENERGY OF CHALCOGENIDE NANOPARTICLESen_US
dc.typeConference Objecten_US

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