Although the nonequilibrium behavior of polymer solutions is generally well understood, particularly in extensional flow, there remain several unanswered questions for dilute simple shear and full quantitative agreement with experiments has not been achieved. For example, experimental viscosity data exhibit qualitative differences shear-thinning exponents, rate onset shear-thinning, high-shear ...

We investigate mutual local chain order in systems of fully flexible polymer melts in a simple generic bead-spring model. The excluded-volume interaction together with the connectivity leads to local ordering effects which are independent of chain length between 25 and 700 monomers, i.e. in the Rouse as well as in the reptation regime. These ordering phenomena extend to a distance of about 3 to...

A simple model of a polyelectrolyte, the charged bead-spring chain, is studied using Monte-Carlo simulations and variational methods. A good quantitative agreement between both approaches is obtabled. For bare Coulombic interactions, excellent agreement with the classical « electrostatic blob » picture is found. Screening of the electrostatic interactions causes a crossover to excluded volume b...

We present experimental evidence of a transition in the short-time Brownian motion of colloids from diffusive to subdiffusive, Rouse-like. This transition is seen for particles that are bound, through physical adsorption, to transient polymer networks. The characteristic Rouse scaling of the mean square particle displacement with radical t, found in the experiments, is rationalized using an ana...

We review recent molecular dynamics simulations of thermally activated undulations and defects in the lamellar Lα phase of a binary amphiphile-solvent mixture, using an idealized molecular coarse-grained model: Solvent particles are represented by beads, and amphiphiles by bead-and-spring tetramers. We find that our results are in excellent agreement with the predictions of simple mesoscopic th...

Tethers were created between a living Escherichia coli bacterium and a bead by unspecifically attaching the bead to the outer membrane and pulling it away using optical tweezers. Upon release, the bead returned to the bacterium, thus showing the existence of an elastic tether between the bead and the bacterium. These tethers can be tens of microns long, several times the bacterial length. Using...

We report a simulation study for bottle-brush polymers grafted on a rigid backbone. Using a standard coarse-grained bead-spring model extensive molecular dynamics simulations for such macromolecules under good solvent conditions are performed. We consider a broad range of parameters and present numerical results for the monomer density profile, density of the untethered ends of the grafted flex...

We study the properties of a polycarbonate melt near a nickel surface as a model system for the interaction of polymers with metal surfaces by employing a multiscale modeling approach. For bulk properties, a suitably coarse-grained bead-spring model is simulated by molecular dynamics methods with model parameters directly derived from quantum chemical calculations. The surface interactions are ...