Related papers: Simulating confined particles with a flat density …
Using the Fundamental-Measure Density Functional Theory, we have studied theoretically the phase behavior of extremely confined mixtures of parallel hard squares in slit geometry. The pore width is chosen such that configurations consisting…
Atmosphere-breathing electric propulsion systems harness atmospheric particles as propellant, enabling efficient operation across diverse environmental conditions. To accurately simulate the captured gas flow through the modules,…
We report numerical simulations of strongly vibrated granular materials designed to mimic recent experiments performed both in presence [1] or absence [2] of gravity. We show that a model with impact velocity dependent restitution…
We study confined colloidal suspensions as a model system which approximates the behavior of confined small molecule glass-formers. Dense colloidal suspensions become glassier when confined between parallel glass plates. We use confocal…
The structural features of polystyrene brushes grafted on spherical silica nanoparticles immersed in polystyrene are investigated by means of a Monte Carlo methodology based on polymer mean field theory. The nanoparticle radii (either 8 nm…
Shape transformations of hairy nanoparticles under confinement are studied using molecular dynamic simulations. We discuss the behavior of these particles in slits with inert or attractive walls. We assume that only chain-wall interactions…
The dynamic behavior of the slip length in a fluid flow confined between atomically smooth surfaces is investigated using molecular dynamics simulations. At weak wall-fluid interactions, the slip length increases nonlinearly with the shear…
We investigate the flow of spherical, bulk granular particles down an inclined plane mixed with small-sized spherical lubricant particles using discrete element method simulations. Predefined cohesive interaction is implemented between…
We study a dense colloidal suspension confined between two quasiparallel glass plates as a model system for a supercooled liquid in confined geometries. We directly observe the three-dimensional Brownian motion of the colloidal particles…
A comparative simulation study of polymer brushes formed by grafting at a planar surface either flexible linear polymers (chain length $N_L$) or (non-catenated) ring polymers (chain length $N_R=2 N_L$) is presented. Two distinct off-lattice…
By means of mesoscopic numerical simulations of a model soft-glassy material, we investigate the role of boundary roughness on the flow behaviour of the material, probing the bulk/wall and global/local rheologies. We show that the roughness…
The close packing density of log-normal and bimodal distributed, surface-adsorbed particles or discs in 2D is studied by numerical simulation. For small spread in particle size, the system orders in a polycrystalline structure of hexagonal…
Numerical simulations are used to investigate the origins of the different wave velocities measured in dense granular samples assembled with different methods. Glass bead packings are prepared in the lab either by pouring and vibrating the…
Neutral or charged polymers that are densely end-grafted to surfaces form brush-like structures and are highly stretched under good-solvent conditions. We discuss and compare relevant results from scaling models, self-consistent-field…
We study the Poiseuille flow of a soft-glassy material above the jamming point, where the material flows like a complex fluid with Herschel- Bulkley rheology. Microscopic plastic rearrangements and the emergence of their spatial…
Density discontinuities cannot be precisely modelled in standard formulations of smoothed particles hydrodynamics (SPH) because the density field is defined smoothly as a kernel-weighted sum of neighbouring particle masses. This is a…
Controlling the structure of polymer solutions near a solid surface is crucial for many industrial processes, as it significantly impacts solution flow and influences slip at the interface. To date, only a few techniques have been developed…
Grain boundaries control a wide variety of bulk properties in polycrystalline materials, so simulation methods like density functional theory are routinely used to study their structure-property relationships. A standard practice for such…
We simulate a strongly size-disperse hard-sphere fluid confined between two parallel, hard walls. We find that confinement induces crystallization into n-layered hexagonal lattices and a novel honeycomb-shaped structure, facilitated by…
We experimentally and theoretically consider highly condensed planar brushes made of charged polymers. Using x-ray reflectivity on polyelectrolytes which are anchored at the water-air interface, it is shown that such strongly stretched…