Structure of hard-sphere metastable fluids

S. Bravo Yuste, M. López de Haro, and A. Santos
Phys. Rev. E 53, 4820 – Published 1 May 1996
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Abstract

A rational-function approximation method to analytically derive the radial distribution function g(r) and the structure factor S(q) of a hard-sphere fluid is revisited. The method provides a fluid structure thermodynamically consistent with a given equation of state. The Carnahan-Starling and a recently derived Padé (4,3) equations of state are considered. While the Carnahan-Starling equation leads to functions g(r) and S(q) even for densities larger than the crystalline close-packing density, their physical value is questionable already in the metastable fluid region. In the case of the much more reliable Padé equation of state, the method shows the existence of a threshold density, beyond which no meaningful fluid structure can be derived. This threshold value, whose signature is a diverging slope of g(r) at the contact distance, coincides with the one associated in the literature with the glass transition.

  • Received 7 June 1995

DOI:https://doi.org/10.1103/PhysRevE.53.4820

©1996 American Physical Society

Authors & Affiliations

S. Bravo Yuste, M. López de Haro*, and A. Santos

  • Departamento de Física, Universidad de Extremadura, E-06071 Badajoz, Spain

  • *Permanent address: Laboratorio de Energía Solar, Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Apartado Postal 34, Temixco 62580, Morelos, Mexico.

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Vol. 53, Iss. 5 — May 1996

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