相关论文: Density Functional in Liquid Helium: Recent Applic…

Due to our vantage point in the disk of the Galaxy, its 3D structure is not directly accessible. However, knowing the spatial distribution, e.g. of atomic and molecular hydrogen gas is of great importance for interpreting and modelling…

Classical density-functional theory is the most direct approach to equilibrium structures and free energies of inhomogeneous liquids, but requires the construction of an approximate free-energy functional for each liquid of interest. We…

A widely used approximation to the exchange-correlation functional in density functional theory is the local density approximation (LDA), typically derived from the properties of the homogeneous electron gas (HEG). We previously introduced…

Predicting interfacial thermodynamics across molecular and continuum scales remains a central challenge in computational science. Classical density functional theory (cDFT) provides a first-principles route to connect microscopic…

Liquid diodes are surface structures that facilitate the flow of liquids in a specific direction. When these structures are within the capillary regime, they promote liquid transport without the need for external forces. In nature, they are…

We present a semi-analytical free-energy model aimed at characterizing the thermodynamic properties of dense fluid helium, from the low-density atomic phase to the high-density fully ionized regime. The model is based on a free-energy…

Density-density response functions are evaluated for nondegenerate multisubband electron systems in the random-phase approximation for arbitrary wave number and subband index. We consider both quasi-two-dimensional and quasi-one-…

We present a modification to our recently published SAFT-based classical density functional theory for water. We have recently developed and tested a functional for the averaged radial distribution function at contact of the hard-sphere…

The application of density functional theory to nuclear structure is discussed, highlighting the current status of the effective action approach using effective field theory, and outlining future challenges.

A finite element model was developed to compute the fluid flow inside a sessile evaporating droplet on hydrophilic substrate in ambient conditions. The evaporation is assumed as quasi-steady and the flow is considered as axisymmetric with a…

Many features of real granular fluids under rapid flow are exhibited as well by a system of smooth hard spheres with inelastic collisions. For such a system, it is tempting to apply standard methods of kinetic theory and hydrodynamics to…

Hard spheres are a central and important model reference system for both homogeneous and inhomogeneous fluid systems. In this paper we present new high-precision molecular-dynamics computer simulations for a hard sphere fluid at a planar…

Liquids in contact with solids are submitted to intermolecular forces making liquids heterogeneous and, in a mechanical model, the stress tensor is not any more spherical as in homogeneous bulks. The aim of this article is to show that a…

Liquid foams have been observed to behave like immersed granular materials in at least one respect: deformation tends to raise their liquid contents, a phenomenon called dilatancy. We present a geometrical interpretation thereof in foams…

While the theory of diffusion of a single Brownian particle in confined geometries is well-established by now, we discuss here the theoretical framework necessary to generalize the theory of diffusion to dense suspensions of strongly…

Density-corrected density functional theory (DC-DFT) is enjoying substantial success in improving semilocal DFT calculations in a wide variety of chemical problems. This paper provides the formal theoretical framework and assumptions for…

We show, using molecular dynamics simulations, that a two-dimensional Lennard-Jones solid is subject to droplet fluctuations characterized by {\em non-affine} deviations from local crystallinity. The fraction of particles in these droplets…

Recent experiments have shown that liquid drops on highly deformable substrates exhibit mutual interactions. This is similar to the Cheerios effect, the capillary interaction of solid particles at a liquid interface, but now the roles of…

We present an analysis of the internal velocity structures of the newly identified sub-0.1 pc coherent structures, droplets, in L1688 and B18. By fitting 2D linear velocity fields to the observed maps of velocity centroids, we determine the…

The structure of dilute electrolyte solutions close to a surface carrying a spatially inhomogeneous surface charge distribution is investigated by means of classical density functional theory (DFT) within the approach of fundamental measure…