Continuum percolation of simple fluids: energetic connectivity criteria

Autores
Pugnaloni, Luis Ariel; Márquez, Ileana F.; Vericat, Fernando
Año de publicación
2003
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
During the last few years, a number of works in computer simulation have focused on the clustering and percolation properties of simple fluids based on an energetic connectivity criterion proposed long ago by T.L. Hill (J. Chem. Phys. 23 (1955) 617). This connectivity criterion appears to be the most appropriate in the study of gas–liquid phase transition. So far, integral equation theories have relayed on a velocity-averaged version of this criterion. We show, by using molecular dynamics simulations, that this average strongly overestimates percolation densities in the Lennard–Jones fluid making unreliable any prediction based on it. Additionally, we use a recently developed integral equation theory (Phys. Rev. E 61 (2000) R6067) to show how this velocity-average can be overcome.
Facultad de Ciencias Exactas
Instituto de Física de Líquidos y Sistemas Biológicos
Facultad de Ingeniería
Grupo de Aplicaciones Matemáticas y Estadísticas de la Facultad de Ingeniería
Materia
Ciencias Exactas
Física
Continuum percolation
Lennard–Jones
Connectivity
Clusters
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by-nc-sa/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/129508
Acceder
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network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Continuum percolation of simple fluids: energetic connectivity criteriaPugnaloni, Luis ArielMárquez, Ileana F.Vericat, FernandoCiencias ExactasFísicaContinuum percolationLennard–JonesConnectivityClustersDuring the last few years, a number of works in computer simulation have focused on the clustering and percolation properties of simple fluids based on an energetic connectivity criterion proposed long ago by T.L. Hill (J. Chem. Phys. 23 (1955) 617). This connectivity criterion appears to be the most appropriate in the study of gas–liquid phase transition. So far, integral equation theories have relayed on a velocity-averaged version of this criterion. We show, by using molecular dynamics simulations, that this average strongly overestimates percolation densities in the Lennard–Jones fluid making unreliable any prediction based on it. Additionally, we use a recently developed integral equation theory (Phys. Rev. E 61 (2000) R6067) to show how this velocity-average can be overcome.Facultad de Ciencias ExactasInstituto de Física de Líquidos y Sistemas BiológicosFacultad de IngenieríaGrupo de Aplicaciones Matemáticas y Estadísticas de la Facultad de Ingeniería2003-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf398-410http://sedici.unlp.edu.ar/handle/10915/129508enginfo:eu-repo/semantics/altIdentifier/issn/0378-4371info:eu-repo/semantics/altIdentifier/arxiv/cond-mat/0209534info:eu-repo/semantics/altIdentifier/doi/10.1016/s0378-4371(02)01688-6info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-10T12:33:54Zoai:sedici.unlp.edu.ar:10915/129508Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-10 12:33:54.581SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Continuum percolation of simple fluids: energetic connectivity criteria
title Continuum percolation of simple fluids: energetic connectivity criteria
spellingShingle Continuum percolation of simple fluids: energetic connectivity criteria
Pugnaloni, Luis Ariel
Ciencias Exactas
Física
Continuum percolation
Lennard–Jones
Connectivity
Clusters
title_short Continuum percolation of simple fluids: energetic connectivity criteria
title_full Continuum percolation of simple fluids: energetic connectivity criteria
title_fullStr Continuum percolation of simple fluids: energetic connectivity criteria
title_full_unstemmed Continuum percolation of simple fluids: energetic connectivity criteria
title_sort Continuum percolation of simple fluids: energetic connectivity criteria
dc.creator.none.fl_str_mv Pugnaloni, Luis Ariel
Márquez, Ileana F.
Vericat, Fernando
author Pugnaloni, Luis Ariel
author_facet Pugnaloni, Luis Ariel
Márquez, Ileana F.
Vericat, Fernando
author_role author
author2 Márquez, Ileana F.
Vericat, Fernando
author2_role author
author
dc.subject.none.fl_str_mv Ciencias Exactas
Física
Continuum percolation
Lennard–Jones
Connectivity
Clusters
topic Ciencias Exactas
Física
Continuum percolation
Lennard–Jones
Connectivity
Clusters
dc.description.none.fl_txt_mv During the last few years, a number of works in computer simulation have focused on the clustering and percolation properties of simple fluids based on an energetic connectivity criterion proposed long ago by T.L. Hill (J. Chem. Phys. 23 (1955) 617). This connectivity criterion appears to be the most appropriate in the study of gas–liquid phase transition. So far, integral equation theories have relayed on a velocity-averaged version of this criterion. We show, by using molecular dynamics simulations, that this average strongly overestimates percolation densities in the Lennard–Jones fluid making unreliable any prediction based on it. Additionally, we use a recently developed integral equation theory (Phys. Rev. E 61 (2000) R6067) to show how this velocity-average can be overcome.
Facultad de Ciencias Exactas
Instituto de Física de Líquidos y Sistemas Biológicos
Facultad de Ingeniería
Grupo de Aplicaciones Matemáticas y Estadísticas de la Facultad de Ingeniería
description During the last few years, a number of works in computer simulation have focused on the clustering and percolation properties of simple fluids based on an energetic connectivity criterion proposed long ago by T.L. Hill (J. Chem. Phys. 23 (1955) 617). This connectivity criterion appears to be the most appropriate in the study of gas–liquid phase transition. So far, integral equation theories have relayed on a velocity-averaged version of this criterion. We show, by using molecular dynamics simulations, that this average strongly overestimates percolation densities in the Lennard–Jones fluid making unreliable any prediction based on it. Additionally, we use a recently developed integral equation theory (Phys. Rev. E 61 (2000) R6067) to show how this velocity-average can be overcome.
publishDate 2003
dc.date.none.fl_str_mv 2003-04
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
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://sedici.unlp.edu.ar/handle/10915/129508
url http://sedici.unlp.edu.ar/handle/10915/129508
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/0378-4371
info:eu-repo/semantics/altIdentifier/arxiv/cond-mat/0209534
info:eu-repo/semantics/altIdentifier/doi/10.1016/s0378-4371(02)01688-6
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
dc.format.none.fl_str_mv application/pdf
398-410
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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