相关论文: Structural properties of the Jagla fluid

We study the behavior of very thin liquid films wetting homogeneous planar and spherical substrates. In order to describe a simple fluid at very small scales, we employ a classical density functional theory (DFT). Here, we model a fluid…

The effect of surface roughness on the structure of liquid crystalline fluids near solid substrates is studied by Monte Carlo simulations. The liquid crystal is modelled as a fluid of soft ellipsoidal molecules and the substrate is modelled…

The temperature and length scale dependence of solvation properties of spherical hard solvophobic solutes is investigated in the Jagla liquid, a simple liquid that consists of particles interacting via a spherically symmetric potential…

Simulations of water near extended hydrophobic spherical solutes have revealed the presence of a region of depleted density and accompanying enhanced density fluctuations.The physical origin of both phenomena has remained somewhat obscure.…

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 classical density functional theory is applied to study solvation of solutes in water. An approx- imate form of the excess functional is proposed for water. This functional requires the knowledge of pure solvent direct correlation…

We propose the use of automatic differentiation through the programming framework jax for accelerating a variety of analysis tasks throughout gravitational wave (GW) science. Firstly, we demonstrate that complete waveforms which cover the…

We show that classical molecular density functional theory (MDFT), here in the homogeneous reference fluid approximation in which the functional is inferred from the properties of the bulk solvent, is a powerful new tool to study, at a…

We consider the structure factor of a system of colloidal particles immersed in a host liquid. Each particle is assumed to be affected by forces due to other particles, a drag force proportional to the velocity of the particle relative to…

Computationally-efficient semilocal approximations of density functional theory at the level of the local spin density approximation (LSDA) or generalized gradient approximation (GGA) poorly describe weak interactions. We show improved…

Determining the microstructure of colloidal suspensions under shear flows has been a challenge for theoretical and computational methods due to the singularly-perturbed boundary-layer nature of the problem. Previous approaches have been…

Two-length-scale pair potentials arise ubiquitously in condensed matter theory as effective interparticle interactions in molecular, metallic and soft matter systems. The existence of two different bond lengths generated by the shape of…

The solutions of traditional fractional differential equations neither satisfy group property nor generate dynamical systems, so the study on hyperbolicity is in blank. Relying on the new proposed conformable fractional derivative, we…

The structure of a uniform simple liquid is related to that of a reference fluid with purely repulsive intermolecular forces in a self-consistently determined external reference field (ERF) phi_ R. The ERF can be separated into a harshly…

Realistic fluid-solid interaction potentials are essential in description of confined fluids especially in the case of geometric heterogeneous surfaces. Correlated random field is considered as a model of random surface with high geometric…

This article gives a comprehensive description of the fractal geometry of conformally-invariant (CI) scaling curves, in the plane or half-plane. It focuses on deriving critical exponents associated with interacting random paths, by…

The definitions and applications of Radial Distribution Function (RDF) and Structure Factor (SF) to study properties of aggregate are found in many papers and books. The approach adopted to calculate the RDF and the SF to determine the…

We study a mesoscopic model for the flow of amorphous solids. The model is based on the key features identified at the microscopic level, namely peri- ods of elastic deformation interspersed with localised rearrangements of parti- cles that…

We employ the recently introduced conformal iterative construction of Diffusion Limited Aggregates (DLA) to study the multifractal properties of the harmonic measure. The support of the harmonic measure is obtained from a dynamical process…

Monte Carlo simulation studies are performed for the Lennard-Jones like two Yukawa (LJ2Y) potential to show how properties of this model fluid depend on the replacement of the soft repulsion by the hard-core repulsion. Different distances…