Related papers: Dynamically Heterogeneous Relaxation of Entangled …
Using molecular dynamics simulations we examine the dynamics of a family of model polymers with varying chain length and torsional potential barriers. We focus on features of the dynamics of polymers that are seen experimentally but absent…
We study the equilibrium dynamics of a single polymer chain under good solvent condition. Special emphasis is laid on varying the drag force experienced by the chain while it moves. To this end we model the solvent in a mesoscopic manner by…
We investigate the relaxation process and the dynamical heterogeneities of the kinetically constrained Kob--Anderson lattice glass model, and show that these are characterized by different timescales. The dynamics is well described within…
We study the Rolie-Poly model for entangled polymers, using a singular perturbation analysis for the limit of large relaxation time. In this limit, it is shown that the model displays the characteristic features of thixotropic yield stress…
Using field theoretic approach, we study equilibrium shape deformation of a vesicle induced by the presence of enclosed flexible polymers, which is a simple model of drug delivery system or endocytosis. To evaluate the total free energy of…
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 rotational dynamics of a flexible polymer initially wrapped around a rigid rod and unwinding from it. This dynamics is of interest in several problems in biology and constitutes a fundamental instance of polymer relaxation from…
Relaxation of shear bands in a Pd40Ni40P20 bulk metallic glass was investigated by a combination of radiotracer diffusion and molecular dynamics (MD) simulations, allowing to determine for the first time the effective activation enthalpy of…
We develop a general analysis of the diffusive dynamics of polydisperse polymers in the presence of chemical potential gradients, within the context of the tube model (with all species entangled). We obtain a set of coupled dynamical…
Active processes in living systems generate nonequilibrium forces that deform embedded passive macromolecules. To understand how such dynamics influence polymer conformation, we study a flexible passive chain in an active nematic fluid.…
We present results of numerical self-consistent field (SCF) calculations for the equilibrium mechanical unfolding of a globule formed by a single flexible polymer chain collapsed in a poor solvent. In accordance with earlier scaling theory…
The tube model is a central concept in polymer physics, and allows to reduce the complex many-filament problem of an entangled polymer solution to a single filament description. We investigate the probability distribution function of…
We study the structure and dynamics of a transient network composed of droplets of microemulsion connected by telechelic polymers. The polymer induces a bridging attraction between droplets without changing their shape. A viscoelastic…
Several methods for preparing well equilibrated melts of long chains polymers are studied. We show that the standard method in which one starts with an ensemble of chains with the correct end-to-end distance arranged randomly in the…
We investigate via Monte Carlo simulations the kinetically constrained Kob-Andersen lattice glass model showing that, contrary to current expectations, the relaxation process and the dynamical heterogeneities seems to be characterized by…
Conformations of a single semiflexible polymer chain dissolved in a low molecular weight liquid crystalline solvents (nematogens) are examined by using a mean field theory. We takes into account a stiffness and partial orientational…
We show that a flat two dimensional network of connected vertices, when stretched, may deform plastically by producing `pleats'; system spanning linear structures with width comparable to the lattice spacing, where the network overlaps on…
We investigate the crystallization of crosslinked and entangled polymers under external deformation using a coarse-grained poly(vinyl alcohol) (CG-PVA) model and molecular dynamics simulations. Following uniaxial deformation, the systems…
Usually, the strain-induced softening behaviour observed in the differential modulus $K(T,\gamma)$ of hydrogels has been attributed to the breakage of internal structures of the network, such as the cross-links that bind together the…
Supercooled liquids display dynamics that are inherently heterogeneous in space. This essentially means that at temperatures below the melting point, particle dynamics in certain regions of the liquid can be orders of magnitude faster than…