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We study the dynamics and conformation of polymers composed by active monomers. By means of Brownian dynamics simulations we show that when the direction of the self-propulsion of each monomer is aligned with the backbone, the polymer…
Bottlenecks occur in a wide range of applications from pedestrian and traffic flow to mineral and food processing. We examine granular flow across a bottleneck using particle-based simulations. Contrary to expectations we find that the…
Liquid phase exfoliation (LPE) is the most promising method for the low-cost, scalable production of two-dimensional nanosheets from their bulk counterparts. Extensive exfoliation occurs in most solvents due to the huge amount of energy…
Asymmetric obstacles can be exploited to direct the motion and induce sorting of run-and-tumbling particles. In this work, we show that flocking particles which follow the Vicsek model aligning rules experience a collective trapping in the…
The interaction of amphiphilic polymers with small colloids, capable to reversibly stick onto the chains, is studied. Adhesive small colloids in solution are able to dynamically bind two polymer segments. This association leads to…
Predictive modelling of agglomeration in spray drying and particle capture in aerosol scavenging requires a fundamental understanding of droplet-particle collisions. The study complements prior work by investigating mid-air collisions…
The interaction potential between two colloidal particles typically spans a few nanometers. Hence the correct appraisal of the potential in simulations requires very short time steps. However, it is often possible to combine one…
Reversible addition-fragmentation chain-transfer polymerization with a switchable chain-transfer agent was employed to synthesize amphiphilic block copolymers poly(styrene-b-vinylpyrrolidone) and poly(pentafluorostyrene-b-vinylpyrrolidone)…
Autonomous vehicles (AVs) are about to be used in transportation systems in the near future. To increase the level of safety and throughput of these vehicles, dedicated lanes for AVs have been suggested in past studies as exclusive mobility…
One usual way to strengthen a metal is to add alloying elements and to control the size and the density of the precipitates obtained. However, precipitation in multicomponent alloys can take complex pathways depending on the relative…
Brownian diffusion of rod-like polymers in the presence of randomly distributed spherical obstacles is studied using molecular dynamics (MD) simulations. It is observed that dependence of the reduced diffusion coefficient of these…
The article demonstrates that the internal circulation velocity and patterns in sessile droplets on superhydrophobic surfaces is governed by the surface curvature. Particle Image Velocimetry reveals that increasing convexity deteriorates…
Thermocapillary convection is particularly effective for the control of thin liquid film topography or for the actuation of microparticles at the liquid-air interface. Experiments with water are challenging, however, as its interface is…
Reversible diffusion limited cluster aggregation of hard spheres with rigid bonds was simulated and the self diffusion coefficient was determined for equilibrated systems. The effect of increasing attraction strength was determined for…
Suspensions of self-propelled particles are studied in the framework of two-dimensional (2D) Stokesean hydrodynamics. A formula is obtained for the effective viscosity of such suspensions in the limit of small concentrations. This formula…
The angular momentum is conserved in fluids with a few exceptions such as ferrofluids. However it can be violated locally in fluid simulations to reduce computational costs. The effects of this violation are investigated using a…
We consider a linearly elastic composite medium, which consists of a homogeneous matrix containing a statistically homogeneous set of multimodal spherical inclusions modeling the morphology of heterogeneous solid propellants (HSP).…
By means of extensive Monte Carlo simulations of the bond fluctuation model, we study the effect of adding AB diblock copolymers on the properties of an interface between demixed homopolymer phases. The parameters are chosen such that the…
We use molecular dynamics simulations to study the behavior of supercooled water subject to different stimuli from a diluted azobenzene hydrophobic probe. When the molecular motor does not fold, it acts as a passive probe, modifying the…
Experiments indicate that microdroplets undergoing micellar solubilization in the bulk of surfactant solution may excite Marangoni flows and self-propel spontaneously. Surprisingly, self-propulsion emerges even when the critical micelle…