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
Two 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...
- Autores:
- Tipo de recurso:
- Fecha de publicación:
- 2019
- Institución:
- Universidad de Medellín
- Repositorio:
- Repositorio UDEM
- Idioma:
- eng
- OAI Identifier:
- oai:repository.udem.edu.co:11407/5713
- Acceso en línea:
- http://hdl.handle.net/11407/5713
- Palabra clave:
- Equilibrium Structures
Metal Nanoclusters
Atomic beams
Engineering research
Metal analysis
Nanoclusters
Stochastic models
Stochastic systems
Equilibrium structures
Geometrical approaches
Low energy configurations
Low energy structures
Metal nanoclusters
New efficient method
Shape analysis method
Stochastic search
Structural optimization
- Rights
- License
- http://purl.org/coar/access_right/c_16ec
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20192020-04-29T14:53:45Z2020-04-29T14:53:45Z17426588http://hdl.handle.net/11407/571310.1088/1742-6596/1247/1/012008Two 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.engInstitute of Physics PublishingFacultad de Ciencias BásicasFacultad de Ciencias Básicashttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85071067150&doi=10.1088%2f1742-6596%2f1247%2f1%2f012008&partnerID=40&md5=66252114745e8a27a26ebc5bfff5b48412471Jin, R., Zeng, C., Zhou, M., Chen, Y., (2016) Chem. Rev., 116 (18), p. 10346Wilcoxon, J.P., Abrams, B.L., (2006) Chem. Soc. Rev., 35 (11), p. 1162Guzmán-Ramírez, G., Aguilera-Granja, F., Robles, J., (2010) Eur. Phys. J. D, 57 (1), p. 49Kabir, M., Mookerjee, A., (2004) Phys. Rev. A, 69 (4)Wang, S., Liu, Z.P., Lu, J., Fan, K.N., (2007) Acta Chimica Sinica, 23 (12), p. 1831. , 65Darby, S., Mortimer-Jones, T.V., Johnstone, R.L., Robert, C., (2002) J. Chem. Phys, 116 (4), p. 1536Fernández, E.M., Soler, J.M., Balbás, L.C., (2004) Phys. Rev. B, 70 (16)Wales, J., Scheraga, H.A., (1999) Science, 285 (5432), p. 1368Arias, E., Florez, E., Pérez-Torres, J.F., (2017) J. Chem. Phys., 146 (24)Nhat, P.V., Si, N.T., Nguyen, M.T., (2018) J. Mol. Mod., 24 (8), p. 209. , 29Le, H.L., Kendall, D.G., (1993) Ann. Statist., 21 (3), p. 1225Frisch, M.J., (2009) Gaussian 09, Revision E.01, , (Wallingford, CT: Gaussian Inc.)Journal of Physics: Conference SeriesEquilibrium StructuresMetal NanoclustersAtomic beamsEngineering researchMetal analysisNanoclustersStochastic modelsStochastic systemsEquilibrium structuresGeometrical approachesLow energy configurationsLow energy structuresMetal nanoclustersNew efficient methodShape analysis methodStochastic searchStructural optimizationTwo Novel Approaches Based on the Thompson Theory and Shape Analysis for Determination of Equilibrium Structures of Nanoclusters: Cu8, Ag8 and Ag18 as study casesConference Paperinfo:eu-repo/semantics/articlehttp://purl.org/coar/version/c_970fb48d4fbd8a85http://purl.org/coar/resource_type/c_2df8fbb1Arias, 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, Colombiahttp://purl.org/coar/access_right/c_16ecArias E.Caro-Lopera F.J.Flórez E.Pérez-Torres J.F.11407/5713oai:repository.udem.edu.co:11407/57132020-05-27 16:31:52.026Repositorio Institucional Universidad de Medellinrepositorio@udem.edu.co |
dc.title.none.fl_str_mv |
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 |
title |
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 |
spellingShingle |
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 Equilibrium Structures Metal Nanoclusters Atomic beams Engineering research Metal analysis Nanoclusters Stochastic models Stochastic systems Equilibrium structures Geometrical approaches Low energy configurations Low energy structures Metal nanoclusters New efficient method Shape analysis method Stochastic search Structural optimization |
title_short |
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 |
title_full |
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 |
title_fullStr |
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 |
title_full_unstemmed |
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 |
title_sort |
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.subject.none.fl_str_mv |
Equilibrium Structures Metal Nanoclusters Atomic beams Engineering research Metal analysis Nanoclusters Stochastic models Stochastic systems Equilibrium structures Geometrical approaches Low energy configurations Low energy structures Metal nanoclusters New efficient method Shape analysis method Stochastic search Structural optimization |
topic |
Equilibrium Structures Metal Nanoclusters Atomic beams Engineering research Metal analysis Nanoclusters Stochastic models Stochastic systems Equilibrium structures Geometrical approaches Low energy configurations Low energy structures Metal nanoclusters New efficient method Shape analysis method Stochastic search Structural optimization |
description |
Two 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. |
publishDate |
2019 |
dc.date.accessioned.none.fl_str_mv |
2020-04-29T14:53:45Z |
dc.date.available.none.fl_str_mv |
2020-04-29T14:53:45Z |
dc.date.none.fl_str_mv |
2019 |
dc.type.eng.fl_str_mv |
Conference Paper |
dc.type.coarversion.fl_str_mv |
http://purl.org/coar/version/c_970fb48d4fbd8a85 |
dc.type.coar.fl_str_mv |
http://purl.org/coar/resource_type/c_2df8fbb1 |
dc.type.driver.none.fl_str_mv |
info:eu-repo/semantics/article |
dc.identifier.issn.none.fl_str_mv |
17426588 |
dc.identifier.uri.none.fl_str_mv |
http://hdl.handle.net/11407/5713 |
dc.identifier.doi.none.fl_str_mv |
10.1088/1742-6596/1247/1/012008 |
identifier_str_mv |
17426588 10.1088/1742-6596/1247/1/012008 |
url |
http://hdl.handle.net/11407/5713 |
dc.language.iso.none.fl_str_mv |
eng |
language |
eng |
dc.relation.isversionof.none.fl_str_mv |
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85071067150&doi=10.1088%2f1742-6596%2f1247%2f1%2f012008&partnerID=40&md5=66252114745e8a27a26ebc5bfff5b484 |
dc.relation.citationvolume.none.fl_str_mv |
1247 |
dc.relation.citationissue.none.fl_str_mv |
1 |
dc.relation.references.none.fl_str_mv |
Jin, R., Zeng, C., Zhou, M., Chen, Y., (2016) Chem. Rev., 116 (18), p. 10346 Wilcoxon, J.P., Abrams, B.L., (2006) Chem. Soc. Rev., 35 (11), p. 1162 Guzmán-Ramírez, G., Aguilera-Granja, F., Robles, J., (2010) Eur. Phys. J. D, 57 (1), p. 49 Kabir, M., Mookerjee, A., (2004) Phys. Rev. A, 69 (4) Wang, S., Liu, Z.P., Lu, J., Fan, K.N., (2007) Acta Chimica Sinica, 23 (12), p. 1831. , 65 Darby, S., Mortimer-Jones, T.V., Johnstone, R.L., Robert, C., (2002) J. Chem. Phys, 116 (4), p. 1536 Fernández, E.M., Soler, J.M., Balbás, L.C., (2004) Phys. Rev. B, 70 (16) Wales, J., Scheraga, H.A., (1999) Science, 285 (5432), p. 1368 Arias, E., Florez, E., Pérez-Torres, J.F., (2017) J. Chem. Phys., 146 (24) Nhat, P.V., Si, N.T., Nguyen, M.T., (2018) J. Mol. Mod., 24 (8), p. 209. , 29 Le, H.L., Kendall, D.G., (1993) Ann. Statist., 21 (3), p. 1225 Frisch, M.J., (2009) Gaussian 09, Revision E.01, , (Wallingford, CT: Gaussian Inc.) |
dc.rights.coar.fl_str_mv |
http://purl.org/coar/access_right/c_16ec |
rights_invalid_str_mv |
http://purl.org/coar/access_right/c_16ec |
dc.publisher.none.fl_str_mv |
Institute of Physics Publishing |
dc.publisher.program.none.fl_str_mv |
Facultad de Ciencias Básicas |
dc.publisher.faculty.none.fl_str_mv |
Facultad de Ciencias Básicas |
publisher.none.fl_str_mv |
Institute of Physics Publishing |
dc.source.none.fl_str_mv |
Journal of Physics: Conference Series |
institution |
Universidad de Medellín |
repository.name.fl_str_mv |
Repositorio Institucional Universidad de Medellin |
repository.mail.fl_str_mv |
repositorio@udem.edu.co |
_version_ |
1814159148424626176 |