Related papers: Multiscale simulation of polymer melt spinning by …
We computationally study the kinematics of a simple model reciprocal swimmer (asymmetric dumbbell) as a function of the Reynolds number (Re) and investigate how the onset and gradual increase of inertia impacts the swimming behavior: a…
Non-spherical particles transported by an anisotropic turbulent flow preferentially align with the mean shear and intermittently tumble when the local strain fluctuates. Such an intricate behaviour is here studied for inertialess,…
Rigid macromolecules or polymer chains with persistence length on the order of the contour length (or greater) have traditionally been modelled as rods or very stiff springs. The FENE-Fraenkel-spring dumbbell, which is finitely extensible…
In this thesis, we develop multiscale models for particle simulations in population dynamics. These models are characterised by prescribing particle motion on two spatial scales: microscopic and macroscopic. At the microscopic level, each…
We propose a two fluid theory to model a dilute polymer solution assuming that it consists of two phases, polymer and solvent, with two distinct macroscopic velocities. The solvent phase velocity is governed by the macroscopic Navier-Stokes…
Novel kinetic models for both Dumbbell-like and rigid-rod like polymers are derived, based on the probability distribution function $f(t, x, n, \dot n)$ for a polymer molecule positioned at $x$ to be oriented along direction $n$ while…
Polymer dynamics in a turbulent flow is a problem spanning several orders of magnitude of length and time scales. A microscopic simulation covering all those scales from the polymer segment to the inertial scale of turbulence seems…
We carried out three-dimensional simulations, with about 1.4 million particles, of phase segregation in a low density binary fluid mixture, described mesoscopically by energy and momentum conserving Boltzmann-Vlasov equations. Using a…
Using molecular dynamics we investigate the thermodynamics, dynamics and structure of 250 diatomic molecules interacting by a core-softened potential. This system exhibits thermodynamics, dynamics and structural anomalies: a maximum in…
In this paper, we first develop a mathematical model for long-range, hydrophobic attraction between amphiphilic particles. The non-pairwise interactions follow from the first variation of a hydrophobic attraction domain functional. The…
We propose a numerical procedure to study closure approximations for FENE dumbbells in terms of chosen macroscopic state variables, enabling to test straightforwardly which macroscopic state variables should be included to build good…
We consider the driven dynamics of a probe particle moving through an assembly of particles with competing long-range repulsive and short-range attractive interactions, which form crystal, stripe, labyrinth, and bubble states as the ratio…
The effects induced by long temporal correlations of the velocity gradients on the dynamics of a flexible polymer are investigated by means of theoretical and numerical analysis of the Hookean and FENE dumbbell models in a random renewing…
The flow behaviors of polymer melt composed of short chains with ten beads between parallel plates are simulated by using a hybrid method of molecular dynamics and computational fluid dynamics. Three problems are solved: creep motion under…
We analyse the dynamics of a two dimensional system of interacting active dumbbells. We characterise the mean-square displacement, linear response function and deviation from the equilibrium fluctuation-dissipation theorem as a function of…
We develop a learning strategy to infer the constitutive relation for the stress of polymeric flows with memory. We make no assumptions regarding the functional form of the constitutive relations, except that they should be expressible in…
We report extensive numerical simulations of different models of 2D polymer rings with internal elasticity. We monitor the dynamical behavior of the rings as a function of the packing fraction, to address the effects of particle deformation…
We study the dynamics of a single polymer subject to thermal fluctuations in a linear shear flow. The polymer is modeled as a finitely extendable nonlinear elastic FENE dumbbell. Both orientation and elongation dynamics are investigated…
Polymers in a turbulent flow are stretched out by the fluctuating velocity gradient; the stationary probability distribution function (p.d.f.) of extensions $R$ has a power-law tail with an exponent that increases with the Weissenberg…
We successfully extend a multiscale simulation (MSS) method to nonisothermal well-entangled polymer melt flows between two coaxial cylinders. In the multiscale simulation, the macroscopic flow system is connected to a number of microscopic…