Related papers: Determining liquid structure from the tail of the …
The properties of a classical simple liquid can be strongly affected by application of an external potential that supports inhomogeneity. To understand the nature of these property changes the equilibrium particle distribution functions of…
Previously, it has been shown that the direct correlation function for a Lennard-Jones fluid could be modeled by a sum of that for hard-spheres, a mean-field tail and a simple linear correction in the core region constructed so as to…
A thermodynamically self-consistent Ornstein-Zernike approximation (SCOZA) is applied to a fluid of spherical particles with a pair potential given by a hard-core repulsion and a Yukawa attractive tail $w(r)=-\exp [-z(r-1)]/r$. This…
An important quantity in liquid state theory is the radial distribution function $g(r)$. It can be calculated within the framework of classical density functional theory in two very distinct ways. In the test-particle route, one fixes a…
We re-visit the competition between attractive and repulsive interparticle forces in simple fluids and how this governs and connects the macroscopic phase behavior and structural properties as manifest in pair correlation functions. We…
Alder and Wainwright discovered the slow power decay $\sim t^{-d/2}$ ($d$:dimension) of the velocity autocorrelation function in moderately dense hard sphere fluids using the event-driven molecular dynamics simulations. In the…
Unified description on the long-time tail of velocity autocorrelation function and the long-range correlation for the equal-time spatial correlation functions is developed based on the generalized fluctuating hydrodynamics. The cross-over…
Simple closed analytical expression for approximate direct correlation function (DCF) for multi--Yukawa hard--core system of particles is presented. The obtained DCF is a solution of the Ornstein--Zernike equation with multi--Yukawa closure…
We present the first theoretical approach to the angular-average of the two-body correlation function $\tilde g(r)$ for simple solids. It is based on three sum rules for $\tilde g(r)$: the compressibility and virial equations and the…
Formulas, analogous to the Triezenberg-Zwanzig expression for the surface tension of a planar interface, are presented for the Tolman length, the bending rigidity, and the rigidity constant associated with Gaussian curvature. These…
The structural properties of single component fluids of hard hyperspheres in odd space dimensionalities $d$ are studied with an analytical approximation method that generalizes the Rational Function Approximation earlier introduced in the…
We present a theoretical framework to investigate the microscopic structure of concentrated hard-sphere colloidal suspensions under strong shear flows by fully taking into account the boundary-layer structure of convective diffusion. We…
A simple model is proposed for the direct correlation function (DCF) for simple fluids consisting of a hard-core contribution, a simple parametrized core correction, and a mean-field tail. The model requires as input only the free energy of…
This thesis explores the evolution of liquid-state theories based on the Ornstein-Zernike (OZ) equation, summarizing the foundational methods developed by Baxter, Lebowitz, Wertheim, and others. A unifying feature of these approaches is…
Direct correlation functions (DCFs), linked to the second functional derivative of the free energy with respect to the one-particle density, play a fundamental role in a statistical mechanics description of matter. This holds in particular…
Structural and thermodynamic properties of multicomponent hard-sphere fluids at odd dimensions have recently been derived in the framework of the rational function approximation (RFA) [Rohrmann and Santos, Phys. Rev. E \textbf{83}, 011201…
Using the approach formulated in the previous papers of the author, a consistent procedure is developed for calculating non-classical asymptotic power terms in the total and the direct correlation functions of a critical fluid. Analyzing…
The properties of one-dimensional liquids are studied for several interaction potentials for which, under certain assumptions, the properties of the system admit an analytical solution. The studied potentials are the triangle-well and the…
Thermodynamic consistency of the Mean Spherical Approximation as well as the Self-Consistent Ornstein-Zernike Approximation (SCOZA) with the virial route to thermodynamics is analyzed in terms of renormalized gamma-ordering. For continuum…
The structural properties of fluids whose molecules interact via potentials with a hard core plus two piece-wise constant sections of different widths and heights are presented. These follow from the more general development previously…