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Two Novel Approaches Based on the Thompson Theory and Shape Analysis for Determination of Equilibrium Structures of Nanoclusters: Cu8, Ag8 and Ag18 as study cases

dc.creatorArias E.
dc.creatorCaro-Lopera F.J.
dc.creatorFlórez E.
dc.creatorPérez-Torres J.F.
dc.date2019
dc.date.accessioned2020-04-29T14:53:45Z
dc.date.available2020-04-29T14:53:45Z
dc.identifier.issn17426588
dc.identifier.urihttp://hdl.handle.net/11407/5713
dc.descriptionTwo new efficient methods for finding stable atomic clusters are introduced in this work. A purely algebraic and geometrical approach based on shape analysis provides a consistent set for optimization of structures which converge to local and global low-energy configurations. A second proposal based on the Thompson theory gives also candidate structures which became in equilibrium faster than the standard stochastic search models. The performance of the approaches is compared in three metal atomic clusters involving magic numbers. Both methods find the global and local low-energy structures reported in literature, but also obtain new structures. For Cu8, Ag8 and Ag18 the shape analysis method provides more structures than the approach based on Thompson theory. © Published under licence by IOP Publishing Ltd.
dc.language.isoeng
dc.publisherInstitute of Physics Publishing
dc.relation.isversionofhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85071067150&doi=10.1088%2f1742-6596%2f1247%2f1%2f012008&partnerID=40&md5=66252114745e8a27a26ebc5bfff5b484
dc.sourceJournal of Physics: Conference Series
dc.subjectEquilibrium Structures
dc.subjectMetal Nanoclusters
dc.subjectAtomic beams
dc.subjectEngineering research
dc.subjectMetal analysis
dc.subjectNanoclusters
dc.subjectStochastic models
dc.subjectStochastic systems
dc.subjectEquilibrium structures
dc.subjectGeometrical approaches
dc.subjectLow energy configurations
dc.subjectLow energy structures
dc.subjectMetal nanoclusters
dc.subjectNew efficient method
dc.subjectShape analysis method
dc.subjectStochastic search
dc.subjectStructural optimization
dc.titleTwo Novel Approaches Based on the Thompson Theory and Shape Analysis for Determination of Equilibrium Structures of Nanoclusters: Cu8, Ag8 and Ag18 as study cases
dc.typeConference Papereng
dc.rights.accessrightsinfo:eu-repo/semantics/restrictedAccess
dc.publisher.programFacultad de Ciencias Básicas
dc.identifier.doi10.1088/1742-6596/1247/1/012008
dc.relation.citationvolume1247
dc.relation.citationissue1
dc.publisher.facultyFacultad de Ciencias Básicas
dc.affiliationArias, E., Facultad de Ciencias Básicas, Universidad de Medellin, Medellin, Colombia; Caro-Lopera, F.J., Facultad de Ciencias Básicas, Universidad de Medellin, Medellin, Colombia; Flórez, E., Facultad de Ciencias Básicas, Universidad de Medellin, Medellin, Colombia; Pérez-Torres, J.F., Escuela de Quimica, Universidad Industrial de Santander, Bucaramanga, Colombia
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dc.type.versioninfo:eu-repo/semantics/publishedVersion
dc.type.driverinfo:eu-repo/semantics/article


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