Related papers: Density Functional in Liquid Helium: Recent Applic…
We consider the dynamics of thin two-dimensional viscous droplets on chemically heterogeneous surfaces moving under the combined effects of slip, mass transfer and capillarity. The resulting long-wave evolution equation for the droplet…
The success of density functional theory for the description of the adsorption of atoms on surfaces is well established, and based on recent calculations using gradient corrections, it has been shown that it also describes well the…
Accurately describing liquids and their mixtures beyond equilibrium remains a significant challenge in modern chemical physics and physical chemistry, especially regarding the calculation of transport properties in liquid-phase systems.…
We apply density functional theory to study the freezing of superfluid {$^{4}\rm{He}$}, charged bosons and charged fermions at zero temperature. We employ accurate Quantum Monte Carlo data for the linear response function in the uniform…
In surface diffusion, one of the key observables is the so-called intermediate scattering function which is measured directly from the surface technique called Helium spin echo. In this work, we show that this function can be seen as a…
A free-energy functional that contains both the symmetry conserved and symmetry broken parts of the direct pair correlation function has been used to investigate the freezing of a system of hard spheres into crystalline and amorphous…
The sum rule formalism is used to evaluate rigorous bounds for the density and current static response functions in superfluid helium at zero temperature. Both lower and upper bounds are considered. The bounds are expressed in terms of…
We study the adsorption of a fluid in the grand canonical ensemble occurring at a planar heterogeneous wall which is decorated with a chemical stripe of width $L$. We suppose that the material of the stripe strongly preferentially adsorbs…
The equilibrium properties of polymer droplets on a soft deformable surface are investigated by molecular dynamics simulations of a bead-spring model. The surface consists of a polymer brush with irreversibly end-tethered linear homopolymer…
An ideal compressible fluid is considered, with an equilibrium density being a given function of coordinates due to presence of some static external forces. The slow flows in such system, which do not disturb the density, are investigated…
We present a first-principles formalism for studying dynamical heterogeneities in glass forming liquids. Based on the Non-Equilibrium Self-Consistent Generalized Langevin Equation theory, we were able to describe the time-dependent local…
We derive a priori estimates for the compressible free boundary Euler equations in the case of a liquid without surface tension. We provide a new weighted functional framework which leads to the improved regularity of the flow map by using…
Using methods of kinetic theory and liquid state theory we propose a description of the non-equilibrium behavior of molecular fluids which takes into account their microscopic structure and thermodynamic properties. The present work…
Classical dynamical density functional theory (DDFT) has become one of the central modeling approaches in nonequilibrium soft matter physics. Recent years have seen the emergence of novel and interesting fields of application for DDFT. In…
Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional…
While in principle, finite temperature density functional theory (ftDFT) should be a powerful tool for the study of crystallization, in practice this has not so far been the case. Progress has been hampered by technical problems which have…
The response of Newtonian liquids to small perturbations is usually considered to be fully described by homogeneous transport coefficients like shear and dilatational viscosity. However, the presence of strong density gradients at the…
The depletion potential between two hard spheres in a solvent of thin hard disclike platelets is investigated by using either the Derjaguin approximation or density functional theory. Particular attention is paid to the density dependence…
We investigate the geometry of typical equilibrium configurations for a lattice gas in a finite macroscopic domain with attractive, long range Kac potentials. We focus on the case when the system is below the critical temperature and has a…
Droplet velocities used in impact studies were investigated using high-speed photography. It was determined that droplets do not reach terminal velocity before a typical impact, raising the question of how to predict impact velocity. This…