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G Navascués

Publications and source records attributed to G Navascués.

12 recordsLinked to original sources

Self-consistent nonperturbative theory for classical systems.

We construct a self-consistent nonperturbative theory for the structure and thermodynamics of a classical system of particles that goes beyond the usual approaches based on perturbation theory. Our theory, which gives accurate predictions for the phase diagram, is based on two ingredients: first, use is made of an exact expression for the free energy of a many-body system in terms of a reference system and a coupling integral connecting the latter to the final system; second, correlation functions may be very accurately approximated using a number of sum rules relating the radial distribution function with thermodynamic quantities. Consistency between the coupling integral expression and the sum rules may be achieved by means of a self-consistent process.

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Phase behavior of binary hard-sphere mixtures from perturbation theory.

Using a first-order perturbation theory, we have studied the phase diagram of a binary mixture of hard spheres for different values of the size ratio. Recent models for the two-body depletion potential between large spheres are used to take into account the role of the small spheres. The theory predicts a complex phase diagram including a fluid-solid transition at high packing fraction of small spheres, metastability of fluid-fluid demixing, an isostructural solid-solid transition at high packing fraction of the large spheres for sufficiently small values of the size ratio q of the spheres, and the tendency to sticky-sphere behavior in the limit q-->0. The agreement with recent simulation results is quite good. We also show that this phenomenology was already implicit in the pioneering work of Asakura and Oosawa.

Journal Article↗