Related papers: Polymer brush collapse under shear flow
The conformational behavior of a coarse-grained finite polymer chain near an attractive spherical surface was investigated by means of multicanonical Monte Carlo computer simulations. In a detailed analysis of canonical equilibrium data…
Planar brushes formed by end-grafted semiflexible polyampholyte chains, each chain containing equal number of positively and negatively charged monomers is studied using molecular dynamics simulations. Keeping the length of the chains…
We have combined neutron reflectometry with rheology in order to investigate the solid boundary of liquids and polymers under shear deformation. Our approach allows one to apply a controlled stress to a material while resolving the…
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…
In recent years, fluorescence correlation spectroscopy has been increasingly applied for the study of polymer dynamics on the nanometer scale. The core idea is to extract, from a measured autocorrelation curve, an effective mean-square…
When a liquid drop spreads on an adaptive substrate the latter changes its properties what may result in an intricate coupled dynamics of drop and substrate. Here we present a generic mesoscale hydrodynamic model for such processes that is…
The conformational properties of flexible and semiflexible polymers exposed to active noise are studied theoretically. The noise may originate from the interaction of the polymer with surround- ing active (Brownian) particles or from the…
We develop a Machine Learning Inversion method for analyzing scattering functions of mechanically driven polymers and extracting the corresponding feature parameters, which include energy parameters and conformation variables. The polymer…
We resolve the Schr\"{o}der paradox for PNiPAAm brushes, showing experimentally that swelling at 100\% relative humidity (RH) matches the liquid state. This occurs via a sharp increase in swelling above 98\%~RH, a behavior standard models…
The conformations of interacting linear polymers on a dynamical planar random lattice are studied using a random two-matrix model. An exact expression for the partition function of self-avoiding chains subject to attractive contact…
Molecular dynamics simulations are used to investigate the conformations of a single polymer chain, represented by the Kremer-Grest bead-spring model, in a solution with a Lennard-Jones liquid as the solvent when the interaction strength…
Using non-equilibrium Brownian dynamics computer simulations, we have investigated the steady state statistics of a polymer chain under three different shear environments: i) linear shear flow in the bulk (no walls), ii) shear vorticity…
We propose that several mechanisms contribute to friction in a polymer melt adsorbed at a structured surface. The first one is the well known disentanglement of bulk polymer chains from the surface layer. However, if the surface is ideal at…
We have studied the response of surface properties and swelling behaviors of annealed poly(2-vinyl pyridine) (P2VP) brushes covalently tethered to solid planar surfaces to divalent salts in aqueous solutions at varied pH values. Results…
Percolation phenomena of homopolymer brushes on a planar substrate are simulated using the molecular Monte Carlo method in 3 dimensions. The grafted polymers are isolated from each other at extremely low grafting density, whereas a…
Polymer brushes and grafted polymers have attracted significant interest at the intersection of polymers, interfacial chemistry, colloidal science, and nanostructuring. The confinement of high-density grafted polymers and differences in…
We numerically study the dynamics of a polydisperse double emulsion under a symmetric shear flow. We show that both dispersity and shear rate crucially affect the behavior of the innermost drops and of the surrounding shell. While at…
Polarized neutron reflectometry (PNR) have developed theoretically and experimentally in the past decades. In order to resolve the phase problem in neutron reflectometry, several simulation methods have been proposed such as reference layer…
Results from numerical simulations of polymers under shear flow are compared with predictions for shear banding based on a model coupling Rolie-Poly-like tube dynamics to the entanglement dynamics mediated by Convected Constraint Release…
Molecular dynamics simulations are performed to investigate the plastic response of a model glass to a local shear transformation in a quiescent system. The deformation of the material is induced by a spherical inclusion that is gradually…