Related papers: Rational-function approximation for fluids interac…
We present a dynamic density functional theory (dDFT) which takes into accou nt the advection of the particles by a flowing solvent. For potential flows we can use the same closure as in the absence of solvent flow. The structure of the…
We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…
The universal functional of Hohenberg-Kohn is given as a coupling-constant integral over the density as a functional of the potential. Conditions are derived under which potential-functional approximations are variational. Construction via…
A new slender-body theory for viscous flow, based on the concepts of dimensional reduction and hyperviscous regularization, is presented. The geometry of flat, elongated, or point-like rigid bodies immersed in a viscous fluid is…
Fluids in which the interparticle potential has a hard core, is attractive at moderate separations, and repulsive at greater separations are known to exhibit novel phase behavior, including stable inhomogeneous phases. Here we report a…
Blood flow, dam or ship construction and numerous other problems in biomedical and general engineering involve incompressible flows interacting with elastic structures. Such interactions heavily influence the deformation and stress states…
We derive a novel formulation for the interaction potential between deformable fibers due to short-range fields arising from intermolecular forces. The formulation improves the existing section-section interaction potential law for in-plane…
We study a class of one-dimensional classical fluids with penetrable particles interacting through positive, purely repulsive, pair-potentials. Starting from some lower bounds to the total potential energy, we draw results on the…
The one-dimensional penetrable-square-well fluid is studied using both analytical tools and specialized Monte Carlo simulations. The model consists of a penetrable core characterized by a finite repulsive energy combined with a short-range…
We propose a generalisation of molecular density functional theory to describe inhomogeneous solvent mixture, with the objective of modelling electrolytic solutions. Two electrolytic models are presented, both within the HNC approximation.…
The structural properties of additive binary hard-sphere mixtures are addressed as a follow-up of a previous paper [S. Pieprzyk et al., Phys. Rev. E 101, 012117 (2020)]. The so-called rational-function approximation method and an approach…
Recent experimental and theoretical results have shown the existence of a liquid-liquid phase transition in isotropic systems, such as biological solutions and colloids, whose interaction can be represented via an effective potential with a…
The piecewise-concave function may be used to approximate a wide range of other functions to arbitrary precision over a bounded set. In this short paper, this property is proven for three function classes: (a) the multivariate twice…
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…
We consider the physical setup of a three-dimensional fluid-structure interaction problem. A viscous compressible gas or liquid interacts with a nonlinear, visco-elastic, three-dimensional bulk solid. The latter is described by a hyperbolic…
We discuss structural and thermodynamical properties of Baxter's adhesive hard sphere model within a class of closures which includes the Percus-Yevick (PY) one. The common feature of all these closures is to have a direct correlation…
This article addresses structure-preserving smooth approximation of semiconcave functions. semiconcave functions are of particular interest because they naturally arise in a variety of variational problems, including {optimal feedback…
A finite number of rational functions are compatible if they satisfy the compatibility conditions of a first-order linear functional system involving differential, shift and q-shift operators. We present a theorem that describes the…
Potential functionals have been introduced recently as an important tool for the analysis of coupled scalar systems (e.g. density evolution equations). In this contribution, we investigate interesting properties of this potential. Using the…
The square-well fluid with hard-sphere diameters is studied within the framework of Thermodynamic Geometry (TG). Coexistence and spinodal curves, as well as the Widom line for ranges $\lambda^{*} = 1.25, 1.5, 2.0, 3.0$ for this fluid are…