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We report on the results of a molecular dynamics simulation study of binodal glassy systems, formed in the process of isochoric rapid quenching from a high-temperature fluid phase. The transition to vitreous state occurs due to concurrent…
Solid-solid phase transitions are ubiquitous in nature, but the kinetic pathway of anisotropic particle systems remains elusive, where the coupling between translational and rotational motions plays a critical role in various kinetic…
We present magnetohydrodynamic (MHD) simulations of the star-forming multiphase interstellar medium (ISM) in stratified galactic patches with gas surface densities $\Sigma_\mathrm{gas} =$ 10, 30, 50, and 100 $\mathrm{M_\odot\,pc^{-2}}$. The…
We study closed dense collections of hard spheres that collide inelastically with constant coefficient of normal restitution. We find inhomogeneous states (IS) where the density profile is spatially non-uniform but constant in time. The…
In recent years, rapid progress has been made in solid-state lithium batteries. Among various technologies, coating the surface of electrodes or electrolytes has proven to be an effective method to enhance interfacial stability and improve…
We present a new methodology to enable efficient simulation of high Reynolds number wakes. In this approach, a body-exclusive hybrid simulation at Re = 5 x 10^4 is initialized using inflow fields reconstructed from a lower Reynolds number…
Comparison of hydrodynamic calculations with experimental data inevitably requires a model for converting the fluid to particles. In this work, nonlinear $2\to 2$ kinetic theory is used to assess the overall accuracy of various shear…
We use coarse-grained molecular dynamics simulations to study the motility of a 2D vesicle containing self-propelled rods, as a function of the vesicle bending rigidity and the number density, length, and activity of the enclosed rods.…
The dynamics of a quasi two-dimensional isotropic droplet in a cholesteric liquid crystal medium under symmetric shear flow is studied by lattice Boltzmann simulations. We consider a geometry in which the flow direction is along the axis of…
We analyze the transport properties of a low density ensemble of identical macroscopic particles immersed in an active fluid. The particles are modeled as inelastic hard spheres (granular gas). The non-homogeneous active fluid is modeled by…
Electrocatalysis is greatly influenced by the local reaction environment, which is governed by the structure of the catalyst, the distribution of the electrolyte, and the local electric field. In catalytic systems comprised of complex…
Microdrop impact and spreading phenomena are explored as an interface formation process using a recently developed computational framework. The accuracy of the results obtained from this framework for the simulation of high deformation…
Fluids with competing short range attraction and long range repulsive interactions between the particles can exhibit a variety of microphase separated structures. We develop a lattice-gas (generalised Ising) model and analyse the phase…
In this third and final paper of a series, elastic properties of numerically simulated isotropic packings of spherical beads assembled by different procedures and subjected to a varying confining pressure P are investigated. In addition P,…
This paper presents a new solver developed in OpenFOAM for the modeling of lubricant in the narrow gap between two surfaces inducing hydrodynamic pressures up to few gigapascal. Cavitation is modeled using the homogeneous equilibrium model.…
A new dual plasma coating process to produce platinum-free catalysts for the oxygen reduction reaction in a fuel cell is introduced. The catalysts thus produced were analysed with various methods. Electrochemical characterisation was…
We performed molecular dynamics simulations of granular beds driven by a model hydrodynamic shear flow to elucidate general grain-scale mechanisms that determine the onset and cessation of sediment transport. By varying the Shields number…
We perform molecular dynamics simulations to characterize the occurrence of inhomogeneous shear flows in soft jammed materials. We use rough walls to impose a simple shear flow and study the athermal motion of jammed assemblies of soft…
We present a coupling framework for Stokes-Darcy systems valid for arbitrary flow direction at low Reynolds numbers and for isotropic porous media. The proposed method is based on an overlapping domain decomposition concept to represent the…
Soft pair potentials predict a reentrant liquid phase for high concentrations, a behavior not observed experimentally. Here, very soft microgels confined at an oil-water interface are used as a model system of particles interacting via a…