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dc.title Cluster pair correlation function of simple fluids: energetic connectivity criteria en
dc.type Artículo es
dcterms.abstract 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. en
dcterms.extent 23 p. es
dcterms.issued 2006
dcterms.language Inglés es
dcterms.license Attribution 4.0 International (BY 4.0) es
dcterms.subject percolation es
dcterms.subject integral equations en
dcterms.subject correlation functions en
dcterms.subject cluster analysis en
dcterms.subject probability theory en
cic.version info:eu-repo/semantics/submittedVersion es Pugnaloni, Luis A. es Zarragoicoechea, Guillermo Jorge es Vericat, Fernando es
cic.lugarDesarrollo Universidad Nacional de La Plata es
dcterms.subject.materia Ciencias Físicas es
dcterms.identifier.url Documento completo es
dcterms.identifier.other DOI: 10.1063/1.2378920 es
dcterms.isPartOf.issue vol. 125, nº 19 es
dcterms.isPartOf.series The Journal of Chemical Physics es
cic.isPeerReviewed true es
cic.isFulltext true es


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