相关论文: Radial distribution function of Lennard-Jones flui…
Using extensive non-equilibrium molecular dynamics simulations, we investigate a glassforming binary Lennard-Jones mixture under shear. Both supercooled liquids and glasses are considered. Our focus is on the characterization of…
Properties of classical molecular systems can be calculated with integral equation theories based on the Ornstein-Zernike (OZ) equation and a complementing closure relation. One such closure relation is the hyper netted chain (HNC)…
The nonequilibrium dynamics of a binary Lennard-Jones mixture in a simple shear flow is investigated by means of molecular dynamics simulations. The range of temperature investigated covers both the liquid, supercooled and glassy states,…
The study of forced oscillations in open cylindrical channel under precession is extended to include the shear effect, that is induced by inertial waves in such systems. The linear part of the problem led to two equations for stability one…
A new semi-analytical solution to the advection-dispersion-reaction equation for modelling solute transport in layered porous media is derived using the Laplace transform. Our solution approach involves introducing unknown functions…
We study the fluid inclusion of both Lennard-Jones particles and particles with competing interaction ranges --short range attractive and long range repulsive (SALR)-- in a disordered porous medium constructed as a controlled pore glass in…
Recently, the intrinsic sampling method has been developed in order to obtain, from molecular simulations, the intrinsic structure of the liquid-vapor interface that is presupposed in the classical capillary wave theory. Our purpose here is…
We use density functional theory to investigate adsorption of liquid mixtures on solid surfaces modified with end-grafted chains. The chains are modelled as freely joined spheres. The fluid molecules are spherical. All spherical species…
The present work develops a compressible VOF-LPT coupled solver in OpenFOAM and utilizes it to simulate a LJICF numerically. This methodology helps accurately predict a complex primary breakup in the Eulerian framework and the secondary…
This paper proposes a simple new closure principle for turbulent shear flows. The turbulent flow field is divided into an outer and an inner region. The inner region is made up of a log-law region and a wall layer. The wall layer is viewed…
The nonlinear rheological properties of dense colloidal suspensions under steady shear are discussed within a first principles approach. It starts from the Smoluchowski equation of interacting Brownian particles in a given shear flow,…
We propose a multiscale computational method for thin-layer flows of complex fluids, termed the synchronized molecular dynamics (SMD) method, which directly couples local molecular dynamics (MD) simulations with a macroscopic lubrication…
Model of hard sphere system is important part of modern theories of liquids. Radial distribution function of hard sphere fluid represented in form of explicit analytical expression allows to obtain thermodynamic potentials in analytical…
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 study the evolution of spherically symmetric radiating fluid distributions using the effective variables method, implemented {\it ab initio} in Schwarzschild coordinates. To illustrate the procedure and to establish some comparison with…
We study thermodynamic and structural properties of a Lennard-Jones liquid at a state very close to the triple point as the radius of a hard sphere solute is varied. Oscillatory profiles arise for small, molecular sized radii while for…
Integral equation of pure liquids, combined with a new "scaling approximation" based on a corresponding states treatment of pair correlation functions, is used to evaluate approximate structure factors for colloidal fluids constituted of…
Colloidal dispersions are commonly encountered in everyday life and represent an important class of complex fluid. Of particular significance for many commercial products and industrial processes is the ability to control and manipulate the…
A rapid predictive tool based on the linearised Reynolds-averaged Navier-Stokes equations is proposed in this work to investigate secondary currents generated by streamwise-independent surface topography modulations in turbulent channel…
A recently proposed schematic model for the non--linear rheology of dense colloidal dispersions is compared to flow curves measured in suspensions that consist of thermosensitive particles. The volume fraction of this purely repulsive model…