Size dependence of dynamic fluctuations in liquid and supercooled water

Autores
Montes de Oca, Joan Manuel; Accordino, Sebastián R.; Appignanesi, Gustavo Adrian; Handle, Philip H.; Sciortino, Francesco
Año de publicación
2019
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We study the evolution of dynamic fluctuations averaged over different space lengths and time scales to characterize spatially and temporally heterogeneous behavior of TIP4P/2005 water in liquid and supercooled states. Analyzing a 250 000 molecules simulated system, we provide evidence of the existence, upon supercooling, of a significant enhancement of spatially localized dynamic fluctuations stemming from regions of correlated mobile molecules. We show that both the magnitude of the departure from the value expected for the system-size dependence of an uncorrelated system and the system size at which such a trivial regime is finally recovered clearly increase upon supercooling. This provides a means to estimate an upper limit to the maximum length scale of influence of the regions of correlated mobile molecules. Notably, such an upper limit grows two orders of magnitude on cooling, reaching a value corresponding to a few thousand molecules at the lowest investigated temperature.
Fil: Montes de Oca, Joan Manuel. 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: Accordino, Sebastián R.. 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
Fil: Handle, Philip H.. Universidad de Innsbruck; Austria
Fil: Sciortino, Francesco. Università degli studi di Roma "La Sapienza"; Italia
Materia
WATER
DYNAMICAL FLUCTUATIONS
SUPERCOOLING
GLASSY RELAXATION
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:11336/99730
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/99730
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Size dependence of dynamic fluctuations in liquid and supercooled waterMontes de Oca, Joan ManuelAccordino, Sebastián R.Appignanesi, Gustavo AdrianHandle, Philip H.Sciortino, FrancescoWATERDYNAMICAL FLUCTUATIONSSUPERCOOLINGGLASSY RELAXATIONhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1We study the evolution of dynamic fluctuations averaged over different space lengths and time scales to characterize spatially and temporally heterogeneous behavior of TIP4P/2005 water in liquid and supercooled states. Analyzing a 250 000 molecules simulated system, we provide evidence of the existence, upon supercooling, of a significant enhancement of spatially localized dynamic fluctuations stemming from regions of correlated mobile molecules. We show that both the magnitude of the departure from the value expected for the system-size dependence of an uncorrelated system and the system size at which such a trivial regime is finally recovered clearly increase upon supercooling. This provides a means to estimate an upper limit to the maximum length scale of influence of the regions of correlated mobile molecules. Notably, such an upper limit grows two orders of magnitude on cooling, reaching a value corresponding to a few thousand molecules at the lowest investigated temperature.Fil: Montes de Oca, Joan Manuel. 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: Accordino, Sebastián R.. 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; ArgentinaFil: Handle, Philip H.. Universidad de Innsbruck; AustriaFil: Sciortino, Francesco. Università degli studi di Roma "La Sapienza"; ItaliaAmerican Institute of Physics2019-04info: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/11336/99730Montes de Oca, Joan Manuel; Accordino, Sebastián R.; Appignanesi, Gustavo Adrian; Handle, Philip H.; Sciortino, Francesco; Size dependence of dynamic fluctuations in liquid and supercooled water; American Institute of Physics; Journal of Chemical Physics; 150; 14; 4-2019; 144505-1445120021-9606CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1063/1.5085886info:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/10.1063/1.5085886info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:59:43Zoai:ri.conicet.gov.ar:11336/99730instacron: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 09:59:43.488CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Size dependence of dynamic fluctuations in liquid and supercooled water
title Size dependence of dynamic fluctuations in liquid and supercooled water
spellingShingle Size dependence of dynamic fluctuations in liquid and supercooled water
Montes de Oca, Joan Manuel
WATER
DYNAMICAL FLUCTUATIONS
SUPERCOOLING
GLASSY RELAXATION
title_short Size dependence of dynamic fluctuations in liquid and supercooled water
title_full Size dependence of dynamic fluctuations in liquid and supercooled water
title_fullStr Size dependence of dynamic fluctuations in liquid and supercooled water
title_full_unstemmed Size dependence of dynamic fluctuations in liquid and supercooled water
title_sort Size dependence of dynamic fluctuations in liquid and supercooled water
dc.creator.none.fl_str_mv Montes de Oca, Joan Manuel
Accordino, Sebastián R.
Appignanesi, Gustavo Adrian
Handle, Philip H.
Sciortino, Francesco
author Montes de Oca, Joan Manuel
author_facet Montes de Oca, Joan Manuel
Accordino, Sebastián R.
Appignanesi, Gustavo Adrian
Handle, Philip H.
Sciortino, Francesco
author_role author
author2 Accordino, Sebastián R.
Appignanesi, Gustavo Adrian
Handle, Philip H.
Sciortino, Francesco
author2_role author
author
author
author
dc.subject.none.fl_str_mv WATER
DYNAMICAL FLUCTUATIONS
SUPERCOOLING
GLASSY RELAXATION
topic WATER
DYNAMICAL FLUCTUATIONS
SUPERCOOLING
GLASSY RELAXATION
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We study the evolution of dynamic fluctuations averaged over different space lengths and time scales to characterize spatially and temporally heterogeneous behavior of TIP4P/2005 water in liquid and supercooled states. Analyzing a 250 000 molecules simulated system, we provide evidence of the existence, upon supercooling, of a significant enhancement of spatially localized dynamic fluctuations stemming from regions of correlated mobile molecules. We show that both the magnitude of the departure from the value expected for the system-size dependence of an uncorrelated system and the system size at which such a trivial regime is finally recovered clearly increase upon supercooling. This provides a means to estimate an upper limit to the maximum length scale of influence of the regions of correlated mobile molecules. Notably, such an upper limit grows two orders of magnitude on cooling, reaching a value corresponding to a few thousand molecules at the lowest investigated temperature.
Fil: Montes de Oca, Joan Manuel. 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: Accordino, Sebastián R.. 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
Fil: Handle, Philip H.. Universidad de Innsbruck; Austria
Fil: Sciortino, Francesco. Università degli studi di Roma "La Sapienza"; Italia
description We study the evolution of dynamic fluctuations averaged over different space lengths and time scales to characterize spatially and temporally heterogeneous behavior of TIP4P/2005 water in liquid and supercooled states. Analyzing a 250 000 molecules simulated system, we provide evidence of the existence, upon supercooling, of a significant enhancement of spatially localized dynamic fluctuations stemming from regions of correlated mobile molecules. We show that both the magnitude of the departure from the value expected for the system-size dependence of an uncorrelated system and the system size at which such a trivial regime is finally recovered clearly increase upon supercooling. This provides a means to estimate an upper limit to the maximum length scale of influence of the regions of correlated mobile molecules. Notably, such an upper limit grows two orders of magnitude on cooling, reaching a value corresponding to a few thousand molecules at the lowest investigated temperature.
publishDate 2019
dc.date.none.fl_str_mv 2019-04
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/11336/99730
Montes de Oca, Joan Manuel; Accordino, Sebastián R.; Appignanesi, Gustavo Adrian; Handle, Philip H.; Sciortino, Francesco; Size dependence of dynamic fluctuations in liquid and supercooled water; American Institute of Physics; Journal of Chemical Physics; 150; 14; 4-2019; 144505-144512
0021-9606
CONICET Digital
CONICET
url http://hdl.handle.net/11336/99730
identifier_str_mv Montes de Oca, Joan Manuel; Accordino, Sebastián R.; Appignanesi, Gustavo Adrian; Handle, Philip H.; Sciortino, Francesco; Size dependence of dynamic fluctuations in liquid and supercooled water; American Institute of Physics; Journal of Chemical Physics; 150; 14; 4-2019; 144505-144512
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/10.1063/1.5085886
info:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/10.1063/1.5085886
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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