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Multiparticle collision dynamics (MPCD) is a relatively new algorithm of fluid flow simulations that has been applied mostly to flows around simple objects. One might ask how it behaves in more complex flows. Therefore, we extend MPCD to…
Monte-Carlo simulations and small-angle x-ray scattering experiments were used to determine the phase diagram of aqueous dispersions of titratable nano-colloids with a moderate size polydispersity over a broad range of monovalent salt…
We briefly review recent theoretical and simulation studies of charged colloidal dispersions in alternating electric fields (AC fields). The response of single colloid to an external field can be characterized by a complex polarizability,…
Understanding the flow behavior of complex concentrated slurries is of tremendous importance for industrial waste management. In this study, the transport of three-phase oil sands tailings in a horizontal pipeline is simulated via the…
The use of computational techniques in the design of dry powder inhalers (DPI), as well as in unravelling the complex mechanisms of drug aerosolization, has increased significantly in recent years. Computational fluid dynamics (CFD) is used…
Electrochemical devices often charge both through Faradaic reactions and electric double layer formation. Here, we study these coupled processes in a model system of a long electrolyte-filled pore subject to a small suddenly-applied…
In this work, a two-dimensional mathematical model is developed to study the flow patterns and volumetric flow penetrations in the flow channel over the porous electrode layered system in vanadium flow battery with serpentine flow field…
The issues of electronic polarizability in molecular dynamics simulations are discussed. We argue that the charges of ionized groups in proteins, and charges of ions in conventional non-polarizable force fields such as CHARMM, AMBER,…
This perspective paper deals with an overview of particle-in-cell / Monte Carlo collision models applied to different plasma-propulsion configurations and scenarios, from electrostatic (E x B and pulsed arc) devices to electromagnetic (RF…
A theoretical model of vapor-liquid phase transition in a system of charged hard cores of different diameters is suggested (with the parameters of the transition obtained in a number of studies using the Monte Carlo method). The model is…
A numerical method is presented for first-principle simulations of charged colloidal dispersions in electrolyte solutions. Utilizing a smoothed profile for colloid-solvent boundaries, efficient mesoscopic simulations are enabled for…
A one-dimensional multi-phase flow model for thermomagnetically pumped ferrofluid with heat transfer is proposed. The thermodynamic model is a combination of a simplified particle model and thermodynamic equations of state for the base…
Distributed point charge models (DCM) and their minimal variants (MDCM) have been integrated with tools widely used for condensed-phase simulations, including a virial-based barostat and a slow-growth algorithm for thermodynamic…
Electric Vehicle (EV) fast charging stations require forecasting techniques both at the single charger level and aggregated level. While for the latter several models exist, forecasting individual EV charging profiles is still underexplored…
Validation of models for powder flow requires that the models be stochastic and that they be fit by statistical inference. Methods from spatial and multivariate statistics can be used for model fitting and assessment. If the quality of the…
Dusty plasma medium turns out to be an ideal system for studying the strongly coupled behavior of matter. The large size and slow response make their dynamics suitable to be captured through simple diagnostic tools. Furthermore, as the…
In this paper, the grinding of powder inside a ball mill is studied using the Bonded Cell Method (BCM) implemented in the framework of Contact Dynamics. In BCM the parent particles are divided into cells that are glued to one another until,…
Within the RoadMap project we investigated the microphysical aspects of particle collisions during saltation on the Martian surface in laboratory experiments. Following the size distribution of ejected particles, their aerodynamic…
Continuum Monte-Carlo simulations at constant pressure are performed on short chain molecules at surfaces. The rodlike chains, consisting of seven effective monomers, are attached at one end to a flat twodimensional substrate. It is found…
We study some aspects of a Monte Carlo method invented by Maggs and Rossetto for simulating systems of charged particles. It has the feature that the discretized electric field is updated locally when charges move. Results of simulations of…