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Coincidence of the freezing and the onset of caging in hard sphere and Lennard-Jones fluids

Articolo
Data di Pubblicazione:
2019
Abstract:
In this article, we examine the collective particle dynamics, as expressed by the time correlation function of the longitudinal particle current density, of several different fluids in the vicinity of their freezing points/lines. We consider and compare results obtained by dynamic light scattering for a suspension of hard spheres and by molecular dynamics for fluids with hard sphere and Lennard-Jones interactions. The latter are performed along both an isotherm and an isochore. In all cases, we find a qualitative change in the collective dynamics, within the resolution of the data, when their respective freezing lines are crossed. We associate this change with the onset of caging. The new results for the Lennard-Jones fluid reported here confirm that the occurrence of caging, found previously for systems of hard spheres, is a more general feature that distinguishes a metastable fluid from one in thermodynamic equilibrium.
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
Freezing; Light scattering; Molecular dynamics; Spheres
Elenco autori:
RUIZ FRANCO, JOSE' MANUEL
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/388967
Pubblicato in:
THE JOURNAL OF CHEMICAL PHYSICS
Journal
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