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Density functional theory for the freezing of soft-core fluids

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posted on 03.10.2014, 08:55 by Andrew Archer
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. © 2005 The American Physical Society.

Funding

EPSRC Grant No. GR/S28631/01

History

School

  • Science

Department

  • Mathematical Sciences

Published in

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volume

72

Issue

5

Citation

ARCHER, A.J., 2005. Density functional theory for the freezing of soft-core fluids. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 72 (5), DOI: 10.1103/PhysRevE.72.051501

Publisher

© The American Physical Society

Version

VoR (Version of Record)

Publisher statement

This work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/

Publication date

2005

Notes

This article was published in the journal, Physical Review E [© The American Physical Society] and is also available at: http://journals.aps.org/pre/pdf/10.1103/PhysRevE.72.051501

ISSN

1539-3755

eISSN

1550-2376

Language

en

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