Particle mobility and metabasin exploration in model glass-formers.

Autores
Appignanesi, Gustavo Adrian; Frechero, Marisa Alejandra; Alarcon, Laureano Martin
Año de publicación
2007
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this work, we assess the relevance of different range particle displacements and string motions to the metabasin (MB) dynamics of a simple glass former. We find that MB transitions are triggered by the occurrence of massive rearrangements termed as "democratic clusters" or d-clusters which last on average less than 1% of the α-relaxation time. Thus, at variance from previous investigations that focused on large displacements and strings, our work points to the essential role of medium-range particle displacements: we find that d-clusters are compact objects since the local neighborhoods of the most mobile particles exhibit significant rearrangements with a clear prevalence of medium-range displacements (of around 20% of the interparticle distance). This is in contrast to the string-like movements for which we demonstrate that many of them fully develop in isolation (their local environment being mostly insensitive to them) and at times different from that of MB transitions, being thus irrelevant to the α-relaxation. Additionally, from the analysis of the MB dynamics, preliminary support to the dynamics facilitation scenario is provided.
Fil: Appignanesi, Gustavo Adrian. Universidad Nacional del Sur. Departamento de Química. Laboratorio de Fisicoquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca; Argentina
Fil: Frechero, Marisa Alejandra. Universidad Nacional del Sur. Departamento de Química. Laboratorio de Fisicoquímica; Argentina. 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. Universidad Nacional del Sur. Departamento de Química. Laboratorio de Fisicoquímica; Argentina. 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 Transition
Molecular Dynamics
Supercooled Liquids
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:11336/77727
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Particle mobility and metabasin exploration in model glass-formers.Appignanesi, Gustavo AdrianFrechero, Marisa AlejandraAlarcon, Laureano MartinGlass TransitionMolecular DynamicsSupercooled Liquidshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1In this work, we assess the relevance of different range particle displacements and string motions to the metabasin (MB) dynamics of a simple glass former. We find that MB transitions are triggered by the occurrence of massive rearrangements termed as "democratic clusters" or d-clusters which last on average less than 1% of the α-relaxation time. Thus, at variance from previous investigations that focused on large displacements and strings, our work points to the essential role of medium-range particle displacements: we find that d-clusters are compact objects since the local neighborhoods of the most mobile particles exhibit significant rearrangements with a clear prevalence of medium-range displacements (of around 20% of the interparticle distance). This is in contrast to the string-like movements for which we demonstrate that many of them fully develop in isolation (their local environment being mostly insensitive to them) and at times different from that of MB transitions, being thus irrelevant to the α-relaxation. Additionally, from the analysis of the MB dynamics, preliminary support to the dynamics facilitation scenario is provided.Fil: Appignanesi, Gustavo Adrian. Universidad Nacional del Sur. Departamento de Química. Laboratorio de Fisicoquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca; ArgentinaFil: Frechero, Marisa Alejandra. Universidad Nacional del Sur. Departamento de Química. Laboratorio de Fisicoquímica; Argentina. 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. Universidad Nacional del Sur. Departamento de Química. Laboratorio de Fisicoquímica; Argentina. 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; ArgentinaElsevier Science2007-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/77727Appignanesi, Gustavo Adrian; Frechero, Marisa Alejandra; Alarcon, Laureano Martin; Particle mobility and metabasin exploration in model glass-formers.; Elsevier Science; Physica A: Statistical Mechanics and its Applications; 374; 1; 1-2007; 229-2380378-4371CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0378437106007734info:eu-repo/semantics/altIdentifier/doi/10.1016/j.physa.2006.06.019info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T15:19:11Zoai:ri.conicet.gov.ar:11336/77727instacron: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:34982025-10-15 15:19:11.53CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Particle mobility and metabasin exploration in model glass-formers.
title Particle mobility and metabasin exploration in model glass-formers.
spellingShingle Particle mobility and metabasin exploration in model glass-formers.
Appignanesi, Gustavo Adrian
Glass Transition
Molecular Dynamics
Supercooled Liquids
title_short Particle mobility and metabasin exploration in model glass-formers.
title_full Particle mobility and metabasin exploration in model glass-formers.
title_fullStr Particle mobility and metabasin exploration in model glass-formers.
title_full_unstemmed Particle mobility and metabasin exploration in model glass-formers.
title_sort Particle mobility and metabasin exploration in model glass-formers.
dc.creator.none.fl_str_mv Appignanesi, Gustavo Adrian
Frechero, Marisa Alejandra
Alarcon, Laureano Martin
author Appignanesi, Gustavo Adrian
author_facet Appignanesi, Gustavo Adrian
Frechero, Marisa Alejandra
Alarcon, Laureano Martin
author_role author
author2 Frechero, Marisa Alejandra
Alarcon, Laureano Martin
author2_role author
author
dc.subject.none.fl_str_mv Glass Transition
Molecular Dynamics
Supercooled Liquids
topic Glass Transition
Molecular Dynamics
Supercooled Liquids
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In this work, we assess the relevance of different range particle displacements and string motions to the metabasin (MB) dynamics of a simple glass former. We find that MB transitions are triggered by the occurrence of massive rearrangements termed as "democratic clusters" or d-clusters which last on average less than 1% of the α-relaxation time. Thus, at variance from previous investigations that focused on large displacements and strings, our work points to the essential role of medium-range particle displacements: we find that d-clusters are compact objects since the local neighborhoods of the most mobile particles exhibit significant rearrangements with a clear prevalence of medium-range displacements (of around 20% of the interparticle distance). This is in contrast to the string-like movements for which we demonstrate that many of them fully develop in isolation (their local environment being mostly insensitive to them) and at times different from that of MB transitions, being thus irrelevant to the α-relaxation. Additionally, from the analysis of the MB dynamics, preliminary support to the dynamics facilitation scenario is provided.
Fil: Appignanesi, Gustavo Adrian. Universidad Nacional del Sur. Departamento de Química. Laboratorio de Fisicoquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca; Argentina
Fil: Frechero, Marisa Alejandra. Universidad Nacional del Sur. Departamento de Química. Laboratorio de Fisicoquímica; Argentina. 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. Universidad Nacional del Sur. Departamento de Química. Laboratorio de Fisicoquímica; Argentina. 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 In this work, we assess the relevance of different range particle displacements and string motions to the metabasin (MB) dynamics of a simple glass former. We find that MB transitions are triggered by the occurrence of massive rearrangements termed as "democratic clusters" or d-clusters which last on average less than 1% of the α-relaxation time. Thus, at variance from previous investigations that focused on large displacements and strings, our work points to the essential role of medium-range particle displacements: we find that d-clusters are compact objects since the local neighborhoods of the most mobile particles exhibit significant rearrangements with a clear prevalence of medium-range displacements (of around 20% of the interparticle distance). This is in contrast to the string-like movements for which we demonstrate that many of them fully develop in isolation (their local environment being mostly insensitive to them) and at times different from that of MB transitions, being thus irrelevant to the α-relaxation. Additionally, from the analysis of the MB dynamics, preliminary support to the dynamics facilitation scenario is provided.
publishDate 2007
dc.date.none.fl_str_mv 2007-01
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/11336/77727
Appignanesi, Gustavo Adrian; Frechero, Marisa Alejandra; Alarcon, Laureano Martin; Particle mobility and metabasin exploration in model glass-formers.; Elsevier Science; Physica A: Statistical Mechanics and its Applications; 374; 1; 1-2007; 229-238
0378-4371
CONICET Digital
CONICET
url http://hdl.handle.net/11336/77727
identifier_str_mv Appignanesi, Gustavo Adrian; Frechero, Marisa Alejandra; Alarcon, Laureano Martin; Particle mobility and metabasin exploration in model glass-formers.; Elsevier Science; Physica A: Statistical Mechanics and its Applications; 374; 1; 1-2007; 229-238
0378-4371
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0378437106007734
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.physa.2006.06.019
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
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
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 13.22299

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