Time evolution of dynamic propensity in a model glass former. The interplay between structure and dynamics

Autores
Rodriguez Fris, Jorge Ariel; Alarcon, Laureano Martin; Appignanesi, Gustavo Adrian
Año de publicación
2009
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
By means of the isoconfigurational method we calculate the change in the propensity for motion that the structure of a glass-forming system experiences during its relaxation dynamics. The relaxation of such a system has been demonstrated to evolve by means of rapid crossings between metabasins of its potential energy surface (a metabasin being a group of mutually similar, closely related structures which differ markedly from other metabasins), as collectively relaxing units (d-clusters) take place. We now show that the spatial distribution of propensity in the system does not change significantly until one of these d-clusters takes place. However, the occurrence of a d-cluster clearly de-correlates the propensity of the particles, thus ending up with the dynamical influence of the structural features proper of the local metabasin. We also show an important match between particles that participate in d-clusters and that which show high changes in their propensity.
Fil: Rodriguez Fris, Jorge Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
Fil: Alarcon, Laureano Martin. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
Fil: Appignanesi, Gustavo Adrian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
Materia
GLASS
STRUCTURE
DYNAMICS
DYNAMICAL PROPENSITY
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:11336/66175
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/66175
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Time evolution of dynamic propensity in a model glass former. The interplay between structure and dynamicsRodriguez Fris, Jorge ArielAlarcon, Laureano MartinAppignanesi, Gustavo AdrianGLASSSTRUCTUREDYNAMICSDYNAMICAL PROPENSITYhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1By means of the isoconfigurational method we calculate the change in the propensity for motion that the structure of a glass-forming system experiences during its relaxation dynamics. The relaxation of such a system has been demonstrated to evolve by means of rapid crossings between metabasins of its potential energy surface (a metabasin being a group of mutually similar, closely related structures which differ markedly from other metabasins), as collectively relaxing units (d-clusters) take place. We now show that the spatial distribution of propensity in the system does not change significantly until one of these d-clusters takes place. However, the occurrence of a d-cluster clearly de-correlates the propensity of the particles, thus ending up with the dynamical influence of the structural features proper of the local metabasin. We also show an important match between particles that participate in d-clusters and that which show high changes in their propensity.Fil: Rodriguez Fris, Jorge Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; ArgentinaFil: Alarcon, Laureano Martin. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; ArgentinaFil: Appignanesi, Gustavo Adrian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; ArgentinaAmerican Institute of Physics2009-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/66175Rodriguez Fris, Jorge Ariel; Alarcon, Laureano Martin; Appignanesi, Gustavo Adrian; Time evolution of dynamic propensity in a model glass former. The interplay between structure and dynamics; American Institute of Physics; Journal of Chemical Physics; 130; 2; 1-2009; 24108-241140021-9606CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1063/1.3054359info:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/10.1063/1.3054359info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:33:47Zoai:ri.conicet.gov.ar:11336/66175instacron: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:34982025-09-29 10:33:47.486CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Time evolution of dynamic propensity in a model glass former. The interplay between structure and dynamics
title Time evolution of dynamic propensity in a model glass former. The interplay between structure and dynamics
spellingShingle Time evolution of dynamic propensity in a model glass former. The interplay between structure and dynamics
Rodriguez Fris, Jorge Ariel
GLASS
STRUCTURE
DYNAMICS
DYNAMICAL PROPENSITY
title_short Time evolution of dynamic propensity in a model glass former. The interplay between structure and dynamics
title_full Time evolution of dynamic propensity in a model glass former. The interplay between structure and dynamics
title_fullStr Time evolution of dynamic propensity in a model glass former. The interplay between structure and dynamics
title_full_unstemmed Time evolution of dynamic propensity in a model glass former. The interplay between structure and dynamics
title_sort Time evolution of dynamic propensity in a model glass former. The interplay between structure and dynamics
dc.creator.none.fl_str_mv Rodriguez Fris, Jorge Ariel
Alarcon, Laureano Martin
Appignanesi, Gustavo Adrian
author Rodriguez Fris, Jorge Ariel
author_facet Rodriguez Fris, Jorge Ariel
Alarcon, Laureano Martin
Appignanesi, Gustavo Adrian
author_role author
author2 Alarcon, Laureano Martin
Appignanesi, Gustavo Adrian
author2_role author
author
dc.subject.none.fl_str_mv GLASS
STRUCTURE
DYNAMICS
DYNAMICAL PROPENSITY
topic GLASS
STRUCTURE
DYNAMICS
DYNAMICAL PROPENSITY
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv By means of the isoconfigurational method we calculate the change in the propensity for motion that the structure of a glass-forming system experiences during its relaxation dynamics. The relaxation of such a system has been demonstrated to evolve by means of rapid crossings between metabasins of its potential energy surface (a metabasin being a group of mutually similar, closely related structures which differ markedly from other metabasins), as collectively relaxing units (d-clusters) take place. We now show that the spatial distribution of propensity in the system does not change significantly until one of these d-clusters takes place. However, the occurrence of a d-cluster clearly de-correlates the propensity of the particles, thus ending up with the dynamical influence of the structural features proper of the local metabasin. We also show an important match between particles that participate in d-clusters and that which show high changes in their propensity.
Fil: Rodriguez Fris, Jorge Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
Fil: Alarcon, Laureano Martin. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
Fil: Appignanesi, Gustavo Adrian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
description By means of the isoconfigurational method we calculate the change in the propensity for motion that the structure of a glass-forming system experiences during its relaxation dynamics. The relaxation of such a system has been demonstrated to evolve by means of rapid crossings between metabasins of its potential energy surface (a metabasin being a group of mutually similar, closely related structures which differ markedly from other metabasins), as collectively relaxing units (d-clusters) take place. We now show that the spatial distribution of propensity in the system does not change significantly until one of these d-clusters takes place. However, the occurrence of a d-cluster clearly de-correlates the propensity of the particles, thus ending up with the dynamical influence of the structural features proper of the local metabasin. We also show an important match between particles that participate in d-clusters and that which show high changes in their propensity.
publishDate 2009
dc.date.none.fl_str_mv 2009-01
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/11336/66175
Rodriguez Fris, Jorge Ariel; Alarcon, Laureano Martin; Appignanesi, Gustavo Adrian; Time evolution of dynamic propensity in a model glass former. The interplay between structure and dynamics; American Institute of Physics; Journal of Chemical Physics; 130; 2; 1-2009; 24108-24114
0021-9606
CONICET Digital
CONICET
url http://hdl.handle.net/11336/66175
identifier_str_mv Rodriguez Fris, Jorge Ariel; Alarcon, Laureano Martin; Appignanesi, Gustavo Adrian; Time evolution of dynamic propensity in a model glass former. The interplay between structure and dynamics; American Institute of Physics; Journal of Chemical Physics; 130; 2; 1-2009; 24108-24114
0021-9606
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1063/1.3054359
info:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/10.1063/1.3054359
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
application/pdf
dc.publisher.none.fl_str_mv American Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
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
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score 13.070432

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