相关论文: Polymers in linear shear flow: a numerical study
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 study the thermodynamic properties of a semiflexible polymer confined inside strips of widths L<=9 defined on a square lattice. The polymer is modeled as a self-avoiding walk and a short range interaction between the monomers and the…
From understanding the sand on the beach to the foam on your beer, soft sphere simulations have been crucial to the study of the amorphous world around us. However, many of the materials we interact with on a daily basis aren't comprised of…
We use existing 3D Discrete Element simulations of simple shear flows of spheres to evaluate the radial distribution function at contact that enables kinetic theory to correctly predict the pressure and the shear stress, for different…
We theoretically investigate the kinetics of the folding transition of a single semiflexible polymer. In the folding transition, the growth rate decrease with an increase in the number of monomers in a collapsed domain, suggesting that the…
This paper examines the effect of cooling on disentanglement forces in polymers and the implications for both single chain pullout and polymer dynamics. I derive the explicit dependence of the distribution of these forces on temperature,…
Molecular dynamics simulation of a generic polymer model is applied to study melts of polymers with different types of intrinsic stiffness. Important static observables of the single chain such as gyration radius or persistence length are…
Polymer brushes are increasingly used to tailor surface physicochemistry for various applications such as wetting, adhesion of biological objects, implantable devices, etc. We perform Dissipative Particle Dynamics simulations to study the…
The dynamics of polymer decompression, i.e., a process from compressed, compact state to the relaxed swoll en conformation, can be formally described as a {\it nonlinear diffusion}. We discuss here two basic examples: (i) the expansion, or…
The tumbling dynamics of individual polymers in semidilute solution is studied by large-scale non-equilibrium mesoscale hydrodynamic simulations. We find that the tumbling time is equal to the non-equilibrium relaxation time of the polymer…
We study the spontaneous out-of-plane bending of a planar untwisted ribbon composed of nematic polymer networks activated by a change in temperature. Our theory accounts for both stretching and bending energies, which compete to establish…
The viscoelastic behavior of liquid polymers changes depending on the microstructure of the polymer chains. To investigate the unsteady structural changes induced by polymer chain morphology under stress, we develop a simple rheo-optical…
We study the dynamics of an ideal polymer chain in a crowded, viscoelastic medium and in the presence of active forces. The motion of the centre of mass and of individual monomers is calculated. On time scales that are comparable to the…
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…
Elastic turbulence is a chaotic regime that emerges in polymer solutions at low Reynolds numbers. A common way to ensure stability in numerical simulations of polymer solutions is to add artificially large polymer-stress diffusion. In order…
We study the behaviour of circular flexible loops sedimenting in a viscous fluid by numerical simulations and linear stability analysis. The numerical model involves a local slender-body theory approximation for the flow coupled to the…
It is common to study polymer physics through the use of idealized single-chain models, and the most popular of these is the freely jointed chain model. In certain thermodynamic ensembles, statistical mechanical treatment of this model is…
The FENE dumbbell model consists of the incompressible Navier-Stokes equation and the Fokker-Planck equation for the polymer distribution. In such a model, the polymer elongation cannot exceed a limit $\sqrt{b}$, yielding all interesting…
A polymer placed in chaotic flow with large mean shear tumbles, making a-periodic flips. We describe the statistics of angular orientation, as well as of tumbling time (separating two subsequent flips) of polymers in this flow. The…
The three-dimensional dynamics of a single non-Brownian flexible fiber in shear flow is evaluated numerically, in the absence of inertia. A wide range of ratios A of bending to hydrodynamic forces and hundreds of initial configurations are…