Free-energy model for the inhomogeneous hard-sphere fluid mixture and density-functional theory of freezing

Y Rosenfeld - Physical review letters, 1989 - APS
A free-energy density functional for the inhomogeneous hard-sphere fluid mixture is derived
from general basic considerations and yields explicit analytic expressions for the high-order …

Free‐energy model for the inhomogeneous hard‐sphere fluid mixture: triplet and higher‐order direct correlation functions in dense fluids

Y Rosenfeld, D Levesque, JJ Weis - The Journal of chemical physics, 1990 - pubs.aip.org
Extensive Monte Carlo simulation results for the pair and triplet direct correlation functions of
the one‐component, hard‐sphere system near freezing are presented. These results are in …

Modified weighted-density-functional theory of nonuniform classical liquids

AR Denton, NW Ashcroft - Physical Review A, 1989 - APS
A new formulation of the weighted-density approximation (WDA), as currently applied in the
theory of nonuniform classical liquids, is presented. This modified weighted-density …

Free-energy density functional for hard spheres

P Tarazona - Physical Review A, 1985 - APS
A free-energy density functional for a system of hard spheres is derived on a semiempirical
basis. It is constructed to reproduce the thermodynamics and direct correlation function of a …

Density functional theory and the asymptotic high density expansion of the free energy of classical solids and fluids

Y Rosenfeld, P Tarazona - Molecular Physics, 1998 - Taylor & Francis
On the basis of the fundamental-measure free energy functional for hard spheres and
thermodynamic perturbation theory, a unified analytical description of classical bulk solids …

Weighted-density-functional theory of nonuniform fluid mixtures: Application to freezing of binary hard-sphere mixtures

AR Denton, NW Ashcroft - Physical Review A, 1990 - APS
A density-functional theory of nonuniform fluid mixtures—based on a generalization of the
one-component weighted-density approximation—is both presented and applied to freezing …

Weighted-density-functional theory of inhomogeneous liquids and the freezing transition

WA Curtin, NW Ashcroft - Physical review A, 1985 - APS
Starting from an exact expression for the Helmholtz free-energy functional of an
inhomogeneous classical liquid, an approximate functional is presented which depends on …

Fundamental-measure free-energy density functional for hard spheres: Dimensional crossover and freezing

Y Rosenfeld, M Schmidt, H Löwen, P Tarazona - Physical Review E, 1997 - APS
A geometrically based fundamental-measure free-energy density functional unified the
scaled-particle and Percus-Yevick theories for the hard-sphere fluid mixture. It has been …

[PDF][PDF] Melting transition and communal entropy for hard spheres

WG Hoover, FH Ree - The Journal of Chemical Physics, 1968 - williamhoover.info
In order to confirm the existence of a first-order melting transition for a classical many-body
system 1) f hard spheres and to discover the densities of the coexisting phases, we have …

Freezing of binary hard-sphere mixtures into disordered crystals: a density functional approach

JL Barrat, M Baus, JP Hansen - Journal of Physics C: Solid State …, 1987 - iopscience.iop.org
The density functional theory of freezing is extended to the crystallisation of multicomponent
systems into substitutional solid solutions. The formalism is applied to the case of binary …