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 …
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 …
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 …
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 …
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 …
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 …
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 …
inhomogeneous classical liquid, an approximate functional is presented which depends on …
Fundamental-measure free-energy density functional for hard spheres: Dimensional crossover and freezing
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 …
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 …
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 …
systems into substitutional solid solutions. The formalism is applied to the case of binary …