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Density functional theory for the freezing of soft-core fluids

2005/11/08 by A. J. Archer, Andrew J. Archer
Chemistry · Materials Science · Physics and Astronomy · #Electrostatics and Colloid Interactions #Material Dynamics and Properties #Theoretical and Computational Physics #cond-mat.soft #cond-mat.stat-mech

paper · pdf · doi:10.1103/physreve.72.051501

published as Phys. Rev. E 72, 051501 (2005) · 7 pages, 4 figures

openalex publication_date 2005/11/08 · arxiv created 2005/11/11 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01

Abstract

We present a simple density functional theory for the solid phases of systems of particles interacting via soft-core potentials. In particular, we apply the theory to particles interacting via repulsive point Yukawa and Gaussian pair potentials. We find qualitative agreement with the established phase diagrams for these systems. The theory is able to account for the bcc-fcc solid transitions of both systems and the re-entrant melting that the Gaussian system exhibits.

Citations