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A model system for classical fluids out of equilibrium, referred to as DPD solid (Dissipative Particles Dynamics), is studied by analytical and simulation methods. The time evolution of a DPD particle is described by a fluctuating heat…
This article presents a multi-physics methodology for the numerical simulation of physical systems that involve the non-linear interaction of multi-phase reactive fluids and elastoplastic solids, inducing high strain-rates and high…
The Smoothed Particle Hydrodynamics (SPH) is a particle-based, Lagrangian method for fluid-flow simulations. In this work, fundamental concepts of this method are first briefly recalled. Then, the ability to accurately model granular…
We use molecular dynamics simulations to study the evaporation of particle-laden droplets on a heated surface. The droplets are composed of a Lennard-Jones fluid containing rigid particles which are spherical sections of an atomic lattice,…
Macromolecules based on dendritic or hyperbranched polyelectrolytes have been emerging as high potential candidates for biomedical applications. Here we study the charge and solvation structure of dendritic polyglycerol sulphate (dPGS) of…
We investigate the link between particle-scale dynamics and bulk behaviors of thickly-coated particle-fluid flows using computational simulations. We find that, similar to dense fully-saturated slurries, the form the rheology takes in these…
In this paper we propose several models that describe the dynamics of liquid films which are covered by a high concentration layer of insoluble surfactant. First, we briefly review the 'classical' hydrodynamic form of the coupled evolution…
The paper presents results of numerical experiments performed to evaluate the effective viscosity of a fluid-proppant mixture, used in hydraulic fracturing. The results, obtained by two complimenting methods (the particle dynamics and the…
Smoothed dissipative particle dynamics (SDPD) is a widely used particle-based method for modelling soft matter systems at mesoscopic and macroscopic scales, offering thermodynamic consistency and direct control over the fluid's transport…
We present a large range of experimental data concerning the influence of surfactants on the well-known Landau-Levich-Derjaguin experiment where a liquid film is generated by pulling a solid plate out of a bath. The thickness h of the film…
We investigate structural order in glassy water by performing classical molecular dynamics simulations using the extended simple point charge (SPC/E) model of water. We perform isochoric cooling simulations across the glass transition…
Structural materials are broadly used in applications such as nuclear vessels, high-temperature processes, and civil construction. Usually, during their placing and lifespan, they may present free or chemically bonded liquid phases in their…
We developed a portable code for dissipative particle dynamics (DPD) simulations. This Fortran program named CAMUS has a couple of notable features. One is the omission of constructing the so-called neighboring particles list, providing a…
We derive a self-consistent hydrodynamic theory of coupled binary-fluid-surfactant systems from the underlying microscopic physics using Rayleigh's variational principle. At the microscopic level, surfactant molecules are modelled as…
We use particle-in-magnetohydrodynamics-cells to model particle acceleration and magnetic field amplification in a high Mach, parallel shock in three dimensions and compare the result to 2-D models. This allows us to determine whether 2-D…
A three-dimensional SPH computational framework is presented for modeling fluid-structure interactions with structural deformation and failure. We combine weakly compressible SPH with a pseudo-spring-based SPH solver to capture the fluid…
We propose a particle-based method to simulate thin-film fluid that jointly facilitates aggressive surface deformation and vigorous tangential flows. We build our dynamics model from the surface tension driven Navier-Stokes equation with…
Second-order dissipative hydrodynamic equations for each component of a multi-component system are derived using the entropy principle. The shear viscosity of the whole system, appearing in the equation summed-up over all components, is…
Performing highly accurate simulations of droplet systems is a challenging problem. This is primarily due to the interface dynamics which is complicated further by the addition of surfactants. This paper presents a boundary integral method…
Methane clathrate hydrates, particularly those with an sI structure, are significant due to their potential as energy resources and their impact on gas pipelines. In this study, a two-dimensional (2D) lattice-gas model is employed to…