Temperature dependence of ice critical nucleus size

Autores
Pereyra, Rodolfo Guillermo; Szleifer, Igal; Carignano, Marcelo Andrés
Año de publicación
2011
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We present a molecular dynamics study of ice growth from supercooled water. By performing a series of simulations with different initial conditions, we have quantitative established the relationship existing between the critical nucleus size and the temperature. The results show that ice embryos containing hundreds or thousands of molecules are needed for the system to crystallize macroscopically, even at high degrees of supercooling. Our findings explain the difficulty in observing spontaneous ice nucleation in atomistic simulations and the relative ease with which water droplets can be supercooled under controlled experiments.
Fil: Pereyra, Rodolfo Guillermo. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomia y Física. Sección Física. Grupo de Física de la Atmosfera; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina
Fil: Szleifer, Igal. Northwestern University; Estados Unidos
Fil: Carignano, Marcelo Andrés. Northwestern University; Estados Unidos
Materia
MOLECULAR DYNAMICS
WATER MOLECULE
ICE NUCLEATION
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:11336/278622
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Temperature dependence of ice critical nucleus sizePereyra, Rodolfo GuillermoSzleifer, IgalCarignano, Marcelo AndrésMOLECULAR DYNAMICSWATER MOLECULEICE NUCLEATIONhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We present a molecular dynamics study of ice growth from supercooled water. By performing a series of simulations with different initial conditions, we have quantitative established the relationship existing between the critical nucleus size and the temperature. The results show that ice embryos containing hundreds or thousands of molecules are needed for the system to crystallize macroscopically, even at high degrees of supercooling. Our findings explain the difficulty in observing spontaneous ice nucleation in atomistic simulations and the relative ease with which water droplets can be supercooled under controlled experiments.Fil: Pereyra, Rodolfo Guillermo. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomia y Física. Sección Física. Grupo de Física de la Atmosfera; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; ArgentinaFil: Szleifer, Igal. Northwestern University; Estados UnidosFil: Carignano, Marcelo Andrés. Northwestern University; Estados UnidosAmerican Institute of Physics2011-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/278622Pereyra, Rodolfo Guillermo; Szleifer, Igal; Carignano, Marcelo Andrés; Temperature dependence of ice critical nucleus size; American Institute of Physics; Journal of Chemical Physics; 135; 3; 7-2011; 1-50021-9606CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1063/1.3613672info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2026-02-06T13:41:47Zoai:ri.conicet.gov.ar:11336/278622instacron: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:34982026-02-06 13:41:47.646CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Temperature dependence of ice critical nucleus size
title Temperature dependence of ice critical nucleus size
spellingShingle Temperature dependence of ice critical nucleus size
Pereyra, Rodolfo Guillermo
MOLECULAR DYNAMICS
WATER MOLECULE
ICE NUCLEATION
title_short Temperature dependence of ice critical nucleus size
title_full Temperature dependence of ice critical nucleus size
title_fullStr Temperature dependence of ice critical nucleus size
title_full_unstemmed Temperature dependence of ice critical nucleus size
title_sort Temperature dependence of ice critical nucleus size
dc.creator.none.fl_str_mv Pereyra, Rodolfo Guillermo
Szleifer, Igal
Carignano, Marcelo Andrés
author Pereyra, Rodolfo Guillermo
author_facet Pereyra, Rodolfo Guillermo
Szleifer, Igal
Carignano, Marcelo Andrés
author_role author
author2 Szleifer, Igal
Carignano, Marcelo Andrés
author2_role author
author
dc.subject.none.fl_str_mv MOLECULAR DYNAMICS
WATER MOLECULE
ICE NUCLEATION
topic MOLECULAR DYNAMICS
WATER MOLECULE
ICE NUCLEATION
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We present a molecular dynamics study of ice growth from supercooled water. By performing a series of simulations with different initial conditions, we have quantitative established the relationship existing between the critical nucleus size and the temperature. The results show that ice embryos containing hundreds or thousands of molecules are needed for the system to crystallize macroscopically, even at high degrees of supercooling. Our findings explain the difficulty in observing spontaneous ice nucleation in atomistic simulations and the relative ease with which water droplets can be supercooled under controlled experiments.
Fil: Pereyra, Rodolfo Guillermo. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomia y Física. Sección Física. Grupo de Física de la Atmosfera; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina
Fil: Szleifer, Igal. Northwestern University; Estados Unidos
Fil: Carignano, Marcelo Andrés. Northwestern University; Estados Unidos
description We present a molecular dynamics study of ice growth from supercooled water. By performing a series of simulations with different initial conditions, we have quantitative established the relationship existing between the critical nucleus size and the temperature. The results show that ice embryos containing hundreds or thousands of molecules are needed for the system to crystallize macroscopically, even at high degrees of supercooling. Our findings explain the difficulty in observing spontaneous ice nucleation in atomistic simulations and the relative ease with which water droplets can be supercooled under controlled experiments.
publishDate 2011
dc.date.none.fl_str_mv 2011-07
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/11336/278622
Pereyra, Rodolfo Guillermo; Szleifer, Igal; Carignano, Marcelo Andrés; Temperature dependence of ice critical nucleus size; American Institute of Physics; Journal of Chemical Physics; 135; 3; 7-2011; 1-5
0021-9606
CONICET Digital
CONICET
url http://hdl.handle.net/11336/278622
identifier_str_mv Pereyra, Rodolfo Guillermo; Szleifer, Igal; Carignano, Marcelo Andrés; Temperature dependence of ice critical nucleus size; American Institute of Physics; Journal of Chemical Physics; 135; 3; 7-2011; 1-5
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/10.1063/1.3613672
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 12.595271

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