Dynamic relaxation of a liquid cavity under amorphous boundary conditions

Autores
Cavagna, A.; Grigera, Tomas Sebastian; Verrocchio, Paolo
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The growth of cooperatively rearranging regions was invoked long ago by Adam and Gibbs to explain the slowing down of glass-forming liquids. The lack of knowledge about the nature of the growing order, though, complicates the definition of an appropriate correlation function. One option is the point-to-set (PTS) correlation function, which measures the spatial span of the influence of amorphous boundary conditions on a confined system. By using a swap Monte Carlo algorithm we measure the equilibration time of a liquid droplet bounded by amorphous boundary conditions in a model glass-former at low temperature, and we show that the cavity relaxation time increases with the size of the droplet, saturating to the bulk value when the droplet outgrows the point-to-set correlation length. This fact supports the idea that the point-to-set correlation length is the natural size of the cooperatively rearranging regions. On the other hand, the cavity relaxation time computed by a standard, nonswap dynamics, has the opposite behavior, showing a very steep increase when the cavity size is decreased. We try to reconcile this difference by discussing the possible hybridization between mode-coupling theory and activated processes, and by introducing a new kind of amorphous boundary conditions, inspired by the concept of frozen external state as an alternative to the commonly used frozen external configuration.
Fil: Cavagna, A.. Università Sapienza. Dipartimento di Fisica; Italia. Consiglio Nazionale delle Ricerche; Italia
Fil: Grigera, Tomas Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
Fil: Verrocchio, Paolo. Università degli Studi di Trento; Italia. Interdisciplinary Laboratory for Computational Physics; Italia. Instituto de Biocomputación y Física de Sistemas Complejos; España
Materia
LIQUID
AMORPHOUS BOUNDARY CONDITIONS
GLASSFORMER
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:11336/81913
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Dynamic relaxation of a liquid cavity under amorphous boundary conditionsCavagna, A.Grigera, Tomas SebastianVerrocchio, PaoloLIQUIDAMORPHOUS BOUNDARY CONDITIONSGLASSFORMERhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The growth of cooperatively rearranging regions was invoked long ago by Adam and Gibbs to explain the slowing down of glass-forming liquids. The lack of knowledge about the nature of the growing order, though, complicates the definition of an appropriate correlation function. One option is the point-to-set (PTS) correlation function, which measures the spatial span of the influence of amorphous boundary conditions on a confined system. By using a swap Monte Carlo algorithm we measure the equilibration time of a liquid droplet bounded by amorphous boundary conditions in a model glass-former at low temperature, and we show that the cavity relaxation time increases with the size of the droplet, saturating to the bulk value when the droplet outgrows the point-to-set correlation length. This fact supports the idea that the point-to-set correlation length is the natural size of the cooperatively rearranging regions. On the other hand, the cavity relaxation time computed by a standard, nonswap dynamics, has the opposite behavior, showing a very steep increase when the cavity size is decreased. We try to reconcile this difference by discussing the possible hybridization between mode-coupling theory and activated processes, and by introducing a new kind of amorphous boundary conditions, inspired by the concept of frozen external state as an alternative to the commonly used frozen external configuration.Fil: Cavagna, A.. Università Sapienza. Dipartimento di Fisica; Italia. Consiglio Nazionale delle Ricerche; ItaliaFil: Grigera, Tomas Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; ArgentinaFil: Verrocchio, Paolo. Università degli Studi di Trento; Italia. Interdisciplinary Laboratory for Computational Physics; Italia. Instituto de Biocomputación y Física de Sistemas Complejos; EspañaAmerican Institute of Physics2012-05-24info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/81913Cavagna, A.; Grigera, Tomas Sebastian; Verrocchio, Paolo; Dynamic relaxation of a liquid cavity under amorphous boundary conditions; American Institute of Physics; Journal of Chemical Physics; 136; 20; 24-5-2012; 1-16; 2045020021-9606CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1063/1.4720477info:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/10.1063/1.4720477info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:29:43Zoai:ri.conicet.gov.ar:11336/81913instacron: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 14:29:43.745CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Dynamic relaxation of a liquid cavity under amorphous boundary conditions
title Dynamic relaxation of a liquid cavity under amorphous boundary conditions
spellingShingle Dynamic relaxation of a liquid cavity under amorphous boundary conditions
Cavagna, A.
LIQUID
AMORPHOUS BOUNDARY CONDITIONS
GLASSFORMER
title_short Dynamic relaxation of a liquid cavity under amorphous boundary conditions
title_full Dynamic relaxation of a liquid cavity under amorphous boundary conditions
title_fullStr Dynamic relaxation of a liquid cavity under amorphous boundary conditions
title_full_unstemmed Dynamic relaxation of a liquid cavity under amorphous boundary conditions
title_sort Dynamic relaxation of a liquid cavity under amorphous boundary conditions
dc.creator.none.fl_str_mv Cavagna, A.
Grigera, Tomas Sebastian
Verrocchio, Paolo
author Cavagna, A.
author_facet Cavagna, A.
Grigera, Tomas Sebastian
Verrocchio, Paolo
author_role author
author2 Grigera, Tomas Sebastian
Verrocchio, Paolo
author2_role author
author
dc.subject.none.fl_str_mv LIQUID
AMORPHOUS BOUNDARY CONDITIONS
GLASSFORMER
topic LIQUID
AMORPHOUS BOUNDARY CONDITIONS
GLASSFORMER
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 growth of cooperatively rearranging regions was invoked long ago by Adam and Gibbs to explain the slowing down of glass-forming liquids. The lack of knowledge about the nature of the growing order, though, complicates the definition of an appropriate correlation function. One option is the point-to-set (PTS) correlation function, which measures the spatial span of the influence of amorphous boundary conditions on a confined system. By using a swap Monte Carlo algorithm we measure the equilibration time of a liquid droplet bounded by amorphous boundary conditions in a model glass-former at low temperature, and we show that the cavity relaxation time increases with the size of the droplet, saturating to the bulk value when the droplet outgrows the point-to-set correlation length. This fact supports the idea that the point-to-set correlation length is the natural size of the cooperatively rearranging regions. On the other hand, the cavity relaxation time computed by a standard, nonswap dynamics, has the opposite behavior, showing a very steep increase when the cavity size is decreased. We try to reconcile this difference by discussing the possible hybridization between mode-coupling theory and activated processes, and by introducing a new kind of amorphous boundary conditions, inspired by the concept of frozen external state as an alternative to the commonly used frozen external configuration.
Fil: Cavagna, A.. Università Sapienza. Dipartimento di Fisica; Italia. Consiglio Nazionale delle Ricerche; Italia
Fil: Grigera, Tomas Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
Fil: Verrocchio, Paolo. Università degli Studi di Trento; Italia. Interdisciplinary Laboratory for Computational Physics; Italia. Instituto de Biocomputación y Física de Sistemas Complejos; España
description The growth of cooperatively rearranging regions was invoked long ago by Adam and Gibbs to explain the slowing down of glass-forming liquids. The lack of knowledge about the nature of the growing order, though, complicates the definition of an appropriate correlation function. One option is the point-to-set (PTS) correlation function, which measures the spatial span of the influence of amorphous boundary conditions on a confined system. By using a swap Monte Carlo algorithm we measure the equilibration time of a liquid droplet bounded by amorphous boundary conditions in a model glass-former at low temperature, and we show that the cavity relaxation time increases with the size of the droplet, saturating to the bulk value when the droplet outgrows the point-to-set correlation length. This fact supports the idea that the point-to-set correlation length is the natural size of the cooperatively rearranging regions. On the other hand, the cavity relaxation time computed by a standard, nonswap dynamics, has the opposite behavior, showing a very steep increase when the cavity size is decreased. We try to reconcile this difference by discussing the possible hybridization between mode-coupling theory and activated processes, and by introducing a new kind of amorphous boundary conditions, inspired by the concept of frozen external state as an alternative to the commonly used frozen external configuration.
publishDate 2012
dc.date.none.fl_str_mv 2012-05-24
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/11336/81913
Cavagna, A.; Grigera, Tomas Sebastian; Verrocchio, Paolo; Dynamic relaxation of a liquid cavity under amorphous boundary conditions; American Institute of Physics; Journal of Chemical Physics; 136; 20; 24-5-2012; 1-16; 204502
0021-9606
CONICET Digital
CONICET
url http://hdl.handle.net/11336/81913
identifier_str_mv Cavagna, A.; Grigera, Tomas Sebastian; Verrocchio, Paolo; Dynamic relaxation of a liquid cavity under amorphous boundary conditions; American Institute of Physics; Journal of Chemical Physics; 136; 20; 24-5-2012; 1-16; 204502
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/10.1063/1.4720477
info:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/10.1063/1.4720477
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 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 13.22299

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