Atomic mechanisms and diffusion anisotropy of Cu tetramers on Cu(111)

Autores
Ferron, Julio; Miranda, R.; De Miguel, J. J.
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The surface diffusion of compact Cu tetramers on Cu(111) has been studied at the atomic scale by means of molecular dynamics simulations using embedded atom interatomic potentials. The Cu clusters diffuse by several different mechanisms; all of them have the common trait of involving concerted displacements of at least some of the atoms forming the island. The anisotropy in the rhombus shape of the Cu tetramers and the different activation energies of the translational and rotational jumps result in highly anisotropic diffusion, with a transition from practically one-dimensional motion at low temperature to nearly isotropical two-dimensional random walk at high temperature. The use of molecular dynamics allows us to also determine the preexponential factors for each jump mechanism, from which analysis we can obtain some insight into their basic nature and the relationships between them.
Fil: Ferron, Julio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe. Instituto de Física del Litoral; Argentina. Universidad Nacional del Litoral. Facultad de Ingenieria Quimica. Departamento de Materiales; Argentina
Fil: Miranda, R.. Universidad Autónoma de Madrid. Departamento de Física de la Materia Condensada; España. Universidad Autónoma de Madrid. Condensed Matter Physics Center; España. Madrid Institute of Advanced Studies - Nanoscience; España
Fil: De Miguel, J. J.. Universidad Autónoma de Madrid. Departamento de Física de la Materia Condensada; España. Universidad Autónoma de Madrid. Condensed Matter Physics Center; España. Universidad Autónoma de Madrid. Instituto de Ciencia de Materiales “Nicolas Cabrera”; España
Materia
Diffusion
Surface
Copper
Tetramer
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/4430
Acceder
id CONICETDig_e9adad7936d16f7d5c37b6b0e12c1694
oai_identifier_str oai:ri.conicet.gov.ar:11336/4430
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Atomic mechanisms and diffusion anisotropy of Cu tetramers on Cu(111)Ferron, JulioMiranda, R.De Miguel, J. J.DiffusionSurfaceCopperTetramerhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The surface diffusion of compact Cu tetramers on Cu(111) has been studied at the atomic scale by means of molecular dynamics simulations using embedded atom interatomic potentials. The Cu clusters diffuse by several different mechanisms; all of them have the common trait of involving concerted displacements of at least some of the atoms forming the island. The anisotropy in the rhombus shape of the Cu tetramers and the different activation energies of the translational and rotational jumps result in highly anisotropic diffusion, with a transition from practically one-dimensional motion at low temperature to nearly isotropical two-dimensional random walk at high temperature. The use of molecular dynamics allows us to also determine the preexponential factors for each jump mechanism, from which analysis we can obtain some insight into their basic nature and the relationships between them.Fil: Ferron, Julio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe. Instituto de Física del Litoral; Argentina. Universidad Nacional del Litoral. Facultad de Ingenieria Quimica. Departamento de Materiales; ArgentinaFil: Miranda, R.. Universidad Autónoma de Madrid. Departamento de Física de la Materia Condensada; España. Universidad Autónoma de Madrid. Condensed Matter Physics Center; España. Madrid Institute of Advanced Studies - Nanoscience; EspañaFil: De Miguel, J. J.. Universidad Autónoma de Madrid. Departamento de Física de la Materia Condensada; España. Universidad Autónoma de Madrid. Condensed Matter Physics Center; España. Universidad Autónoma de Madrid. Instituto de Ciencia de Materiales “Nicolas Cabrera”; EspañaAmerican Physical Society2014-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/4430Ferron, Julio; Miranda, R.; De Miguel, J. J.; Atomic mechanisms and diffusion anisotropy of Cu tetramers on Cu(111); American Physical Society; Physical Review B; 90; 12; 12-2014; 125437-1254371098-0121enginfo:eu-repo/semantics/altIdentifier/url/http://journals.aps.org/prb/abstract/10.1103/PhysRevB.90.125437info:eu-repo/semantics/altIdentifier/hdl/http://dx.doi.org/10.1103/PhysRevB.90.125437info:eu-repo/semantics/altIdentifier/issn/1098-0121info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:58:35Zoai:ri.conicet.gov.ar:11336/4430instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 09:58:35.864CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Atomic mechanisms and diffusion anisotropy of Cu tetramers on Cu(111)
title Atomic mechanisms and diffusion anisotropy of Cu tetramers on Cu(111)
spellingShingle Atomic mechanisms and diffusion anisotropy of Cu tetramers on Cu(111)
Ferron, Julio
Diffusion
Surface
Copper
Tetramer
title_short Atomic mechanisms and diffusion anisotropy of Cu tetramers on Cu(111)
title_full Atomic mechanisms and diffusion anisotropy of Cu tetramers on Cu(111)
title_fullStr Atomic mechanisms and diffusion anisotropy of Cu tetramers on Cu(111)
title_full_unstemmed Atomic mechanisms and diffusion anisotropy of Cu tetramers on Cu(111)
title_sort Atomic mechanisms and diffusion anisotropy of Cu tetramers on Cu(111)
dc.creator.none.fl_str_mv Ferron, Julio
Miranda, R.
De Miguel, J. J.
author Ferron, Julio
author_facet Ferron, Julio
Miranda, R.
De Miguel, J. J.
author_role author
author2 Miranda, R.
De Miguel, J. J.
author2_role author
author
dc.subject.none.fl_str_mv Diffusion
Surface
Copper
Tetramer
topic Diffusion
Surface
Copper
Tetramer
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The surface diffusion of compact Cu tetramers on Cu(111) has been studied at the atomic scale by means of molecular dynamics simulations using embedded atom interatomic potentials. The Cu clusters diffuse by several different mechanisms; all of them have the common trait of involving concerted displacements of at least some of the atoms forming the island. The anisotropy in the rhombus shape of the Cu tetramers and the different activation energies of the translational and rotational jumps result in highly anisotropic diffusion, with a transition from practically one-dimensional motion at low temperature to nearly isotropical two-dimensional random walk at high temperature. The use of molecular dynamics allows us to also determine the preexponential factors for each jump mechanism, from which analysis we can obtain some insight into their basic nature and the relationships between them.
Fil: Ferron, Julio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Santa Fe. Instituto de Física del Litoral; Argentina. Universidad Nacional del Litoral. Facultad de Ingenieria Quimica. Departamento de Materiales; Argentina
Fil: Miranda, R.. Universidad Autónoma de Madrid. Departamento de Física de la Materia Condensada; España. Universidad Autónoma de Madrid. Condensed Matter Physics Center; España. Madrid Institute of Advanced Studies - Nanoscience; España
Fil: De Miguel, J. J.. Universidad Autónoma de Madrid. Departamento de Física de la Materia Condensada; España. Universidad Autónoma de Madrid. Condensed Matter Physics Center; España. Universidad Autónoma de Madrid. Instituto de Ciencia de Materiales “Nicolas Cabrera”; España
description The surface diffusion of compact Cu tetramers on Cu(111) has been studied at the atomic scale by means of molecular dynamics simulations using embedded atom interatomic potentials. The Cu clusters diffuse by several different mechanisms; all of them have the common trait of involving concerted displacements of at least some of the atoms forming the island. The anisotropy in the rhombus shape of the Cu tetramers and the different activation energies of the translational and rotational jumps result in highly anisotropic diffusion, with a transition from practically one-dimensional motion at low temperature to nearly isotropical two-dimensional random walk at high temperature. The use of molecular dynamics allows us to also determine the preexponential factors for each jump mechanism, from which analysis we can obtain some insight into their basic nature and the relationships between them.
publishDate 2014
dc.date.none.fl_str_mv 2014-12
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/4430
Ferron, Julio; Miranda, R.; De Miguel, J. J.; Atomic mechanisms and diffusion anisotropy of Cu tetramers on Cu(111); American Physical Society; Physical Review B; 90; 12; 12-2014; 125437-125437
1098-0121
url http://hdl.handle.net/11336/4430
identifier_str_mv Ferron, Julio; Miranda, R.; De Miguel, J. J.; Atomic mechanisms and diffusion anisotropy of Cu tetramers on Cu(111); American Physical Society; Physical Review B; 90; 12; 12-2014; 125437-125437
1098-0121
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://journals.aps.org/prb/abstract/10.1103/PhysRevB.90.125437
info:eu-repo/semantics/altIdentifier/hdl/http://dx.doi.org/10.1103/PhysRevB.90.125437
info:eu-repo/semantics/altIdentifier/issn/1098-0121
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1842269529636339712
score 13.13397

Publicaciones similares