Density functional theory for the freezing of soft-core fluids
journal contributionposted on 03.10.2014 by Andrew Archer
Any type of content formally published in an academic journal, usually following a peer-review process.
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.
EPSRC Grant No. GR/S28631/01
- Mathematical Sciences