Cluster pair correlation function of simple fluids: energetic connectivity criteria

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 ki...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Pugnaloni, Luis Ariel, Zarragoicoechea, Guillermo Jorge, Vericat, Fernando
Formato: Articulo
Lenguaje:Inglés
Publicado: 2006
Materias:
Ciencias Exactas
percolation, integral equations, correlation functions, cluster analysis, probability theory
Física
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/77552
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-77552
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Ciencias Exactas
percolation, integral equations, correlation functions, cluster analysis, probability theory
Física
spellingShingle Ciencias Exactas
percolation, integral equations, correlation functions, cluster analysis, probability theory
Física
Pugnaloni, Luis Ariel
Zarragoicoechea, Guillermo Jorge
Vericat, Fernando
Cluster pair correlation function of simple fluids: energetic connectivity criteria
topic_facet Ciencias Exactas
percolation, integral equations, correlation functions, cluster analysis, probability theory
Física
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.
format Articulo
Articulo
author Pugnaloni, Luis Ariel
Zarragoicoechea, Guillermo Jorge
Vericat, Fernando
author_facet Pugnaloni, Luis Ariel
Zarragoicoechea, Guillermo Jorge
Vericat, Fernando
author_sort Pugnaloni, Luis Ariel
title Cluster pair correlation function of simple fluids: energetic connectivity criteria
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
publishDate 2006
url http://sedici.unlp.edu.ar/handle/10915/77552
work_keys_str_mv AT pugnaloniluisariel clusterpaircorrelationfunctionofsimplefluidsenergeticconnectivitycriteria
AT zarragoicoecheaguillermojorge clusterpaircorrelationfunctionofsimplefluidsenergeticconnectivitycriteria
AT vericatfernando clusterpaircorrelationfunctionofsimplefluidsenergeticconnectivitycriteria
bdutipo_str Repositorios
_version_ 1764820484685299714

Ejemplares similares