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Hydrodynamic interactions as modeled by Multi-Particle Collision Dynamics can dramatically influence the dynamics of fully flexible, ring-shaped polymers in ways not known for any other polymer architecture or topology. We show that steady…
We report results of molecular-dynamics simulations for a glassy polymer melt consisting of short, linear bead-spring chains. It was shown in previous work that this onset of the glassy slowing down is compatible with the predictions of the…
Hydrodynamic simulations have become irreplaceable in modern cosmology for exploring complex systems and making predictions to steer future observations. In Chapter 1, we begin with a philosophical discussion on the role of simulations in…
In this article, we study the hydrodynamic limit for a stochastic interacting particle system whose dynamics consists in a superposition of several dynamics: the exclusion rule, that dictates that no more than a particle per site with a…
Three-dimensional simulations with fully resolved hydrodynamics are performed to study the collective motion of model swimmers in confinement. We show that certain swimming mechanisms can lead to traveling wave-like collective motion even…
An effective medium approach together with a multiple scattering formalism is considered to study the steady-state dynamics of suspensions of spheres and rigid stiff polymer chains (Gaussian) without excluded volume interactions. The…
In this paper we systematically derive a fourth-order continuum theory capable of reproducing mesoscale turbulence in a three-dimensional suspension of microswimmers. We start from overdamped Langevin equations for a generic microscopic…
We present a general formalism able to derive the kinetic equations of polymer dynamics. It is based on the application of nonequilibrium thermodynamics to analyze the irreversible processes taking place in the conformational space of the…
We report molecular dynamics simulations of a system of repulsive, polymer-tethered colloidal particles. We use an explicit polymer model to explore how the length and the behavior of the polymer (ideal or self-avoiding) affect the ability…
In polymers melts and supercooled liquids, the glassy dynamics is characterized by the rattling of monomers or particles in the cage formed by their neighbors. Recently, a direct correlation in such systems, described by a universal scaling…
We investigate the hydrodynamic behavior and local equilibrium of the multilane exclusion process, whose invariant measures were studied in our previous paper \cite{mlt1a}. The dynamics on each lane follows a hyperbolic time scaling,…
The non-equilibrium structural and dynamical properties of a flexible polymer tethered to a reflecting wall and subject to oscillatory linear flow are studied by numerical simulations. Polymer is confined in two dimensions and is modeled as…
We provide experimental evidence of universal dynamics far from equilibrium during the relaxation of an isolated one-dimensional Bose gas. Following a rapid cooling quench, the system exhibits universal scaling in time and space, associated…
Biological and artificial microswimmers often have to propel through a variety of environments, ranging from heterogeneous suspending media to strong geometrical confinement. Under confinement, local flow fields generated by microswimmers,…
Hydrodynamic interactions are crucial for determining the cooperative behavior of microswimmers at low Reynolds numbers. Here we provide a comprehensive analysis of the scaling and strength of the interactions in the case of a pair of…
The phenomenon of drag reduction by polymer additives had been studied in simulations on the basis of non-Newtonian fluid mechanical models that take into account the field of polymer extension (conformation tensor) and its interaction with…
Patterned surfaces with large effective slip lengths, such as super-hydrophobic surfaces containing trapped gas bubbles, have the potential to reduce hydrodynamic drag. Based on lubrication theory, we analyze an approach of a hydrophilic…
We model the flow behaviour of dense melts of flexible and semiflexible ring polymers in the presence of walls using a hybrid multiscale approach. Specifically, we perform molecular dynamics simulations and apply the Irving-Kirkwood formula…
We consider the Langevin dynamics of a many-body system of interacting particles in $d$ dimensions, in a very general setting suitable to model several out-of-equilibrium situations, such as liquid and glass rheology, active self-propelled…
We study the dynamics of flexible, semiflexible, and self-avoiding polymer chains moving under a Kramers metastable potential. Due to thermal noise, the polymers, initially placed in the metastable well, can cross the potential barrier, but…