Cluster pair correlation function of simple fluids: energetic connectivity criteria

Autores
Pugnaloni, Luis Ariel; Zarragoicoechea, Guillermo Jorge; Vericat, Fernando
Año de publicación
2006
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We consider the clustering of Lennard-Jones particles by using an energetic connectivity criterion proposed long ago by T.L. Hill [J. Chem. Phys. 32, 617 (1955)] for the bond between pairs of particles. The criterion establishes that two particles are bonded (directly connected) if their relative kinetic energy is less than minus their relative potential energy. Thus, in general, it depends on the direction as well as on the magnitude of the velocities and positions of the particles. An integral equation for the pair connectedness function, proposed by two of the authors [Phys Rev. E 61, R6067 (2000)], is solved for this criterion and the results are compared with those obtained from molecular dynamics simulations and from a connectedness Percus-Yevick like integral equation for a velocity-averaged version of Hill’s energetic criterion.
Facultad de Ciencias Exactas
Materia
Ciencias Exactas
percolation, integral equations, correlation functions, cluster analysis, probability theory
Física
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/77552
Acceder
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oai_identifier_str oai:sedici.unlp.edu.ar:10915/77552
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Cluster pair correlation function of simple fluids: energetic connectivity criteriaPugnaloni, Luis ArielZarragoicoechea, Guillermo JorgeVericat, FernandoCiencias Exactaspercolation, integral equations, correlation functions, cluster analysis, probability theoryFísicaWe consider the clustering of Lennard-Jones particles by using an energetic connectivity criterion proposed long ago by T.L. Hill [J. Chem. Phys. 32, 617 (1955)] for the bond between pairs of particles. The criterion establishes that two particles are bonded (directly connected) if their relative kinetic energy is less than minus their relative potential energy. Thus, in general, it depends on the direction as well as on the magnitude of the velocities and positions of the particles. An integral equation for the pair connectedness function, proposed by two of the authors [Phys Rev. E 61, R6067 (2000)], is solved for this criterion and the results are compared with those obtained from molecular dynamics simulations and from a connectedness Percus-Yevick like integral equation for a velocity-averaged version of Hill’s energetic criterion.Facultad de Ciencias Exactas2006info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttp://sedici.unlp.edu.ar/handle/10915/77552enginfo:eu-repo/semantics/altIdentifier/hdl/11746/4204info:eu-repo/semantics/altIdentifier/doi/10.1063/1.2378920info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-10-22T16:54:42Zoai:sedici.unlp.edu.ar:10915/77552Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-10-22 16:54:43.236SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Cluster pair correlation function of simple fluids: energetic connectivity criteria
title Cluster pair correlation function of simple fluids: energetic connectivity criteria
spellingShingle Cluster pair correlation function of simple fluids: energetic connectivity criteria
Pugnaloni, Luis Ariel
Ciencias Exactas
percolation, integral equations, correlation functions, cluster analysis, probability theory
Física
title_short Cluster pair correlation function of simple fluids: energetic connectivity criteria
title_full Cluster pair correlation function of simple fluids: energetic connectivity criteria
title_fullStr Cluster pair correlation function of simple fluids: energetic connectivity criteria
title_full_unstemmed Cluster pair correlation function of simple fluids: energetic connectivity criteria
title_sort Cluster pair correlation function of simple fluids: energetic connectivity criteria
dc.creator.none.fl_str_mv Pugnaloni, Luis Ariel
Zarragoicoechea, Guillermo Jorge
Vericat, Fernando
author Pugnaloni, Luis Ariel
author_facet Pugnaloni, Luis Ariel
Zarragoicoechea, Guillermo Jorge
Vericat, Fernando
author_role author
author2 Zarragoicoechea, Guillermo Jorge
Vericat, Fernando
author2_role author
author
dc.subject.none.fl_str_mv Ciencias Exactas
percolation, integral equations, correlation functions, cluster analysis, probability theory
Física
topic Ciencias Exactas
percolation, integral equations, correlation functions, cluster analysis, probability theory
Física
dc.description.none.fl_txt_mv We consider the clustering of Lennard-Jones particles by using an energetic connectivity criterion proposed long ago by T.L. Hill [J. Chem. Phys. 32, 617 (1955)] for the bond between pairs of particles. The criterion establishes that two particles are bonded (directly connected) if their relative kinetic energy is less than minus their relative potential energy. Thus, in general, it depends on the direction as well as on the magnitude of the velocities and positions of the particles. An integral equation for the pair connectedness function, proposed by two of the authors [Phys Rev. E 61, R6067 (2000)], is solved for this criterion and the results are compared with those obtained from molecular dynamics simulations and from a connectedness Percus-Yevick like integral equation for a velocity-averaged version of Hill’s energetic criterion.
Facultad de Ciencias Exactas
description We consider the clustering of Lennard-Jones particles by using an energetic connectivity criterion proposed long ago by T.L. Hill [J. Chem. Phys. 32, 617 (1955)] for the bond between pairs of particles. The criterion establishes that two particles are bonded (directly connected) if their relative kinetic energy is less than minus their relative potential energy. Thus, in general, it depends on the direction as well as on the magnitude of the velocities and positions of the particles. An integral equation for the pair connectedness function, proposed by two of the authors [Phys Rev. E 61, R6067 (2000)], is solved for this criterion and the results are compared with those obtained from molecular dynamics simulations and from a connectedness Percus-Yevick like integral equation for a velocity-averaged version of Hill’s energetic criterion.
publishDate 2006
dc.date.none.fl_str_mv 2006
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/10915/77552
url http://sedici.unlp.edu.ar/handle/10915/77552
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/hdl/11746/4204
info:eu-repo/semantics/altIdentifier/doi/10.1063/1.2378920
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
dc.format.none.fl_str_mv application/pdf
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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