Related papers: Multi-chain Slip-spring Model for Entangled Polyme…
The dynamical response of a tethered semiflexible polymer with self-attractive interactions and subjected to an external force field is numerically investigated by varying stiffness and self-interaction strength. The chain is confined in…
Recent experimental results suggest that the E. coli chromosome feels a self-attracting interaction of osmotic origin, and is condensed in foci by bridging interactions. Motivated by these findings, we explore a generic modeling framework…
A microscopic model of a surface polymer network - membrane system is introduced, with contact polymer surface interactions that can be either repulsive or attractive and sliplinks of functionality four randomly distributed over the…
Graphene and other recently developed 2D materials exhibit exceptionally strong in-plane stiffness. Relaxation of few-layer structures, either free-standing or on slightly mismatched substrates occurs mostly through out-of-plane bending and…
The associative interaction, such as hydrogen bonding, can bring about versatile functionalities to polymer systems, which has been investigated by tremendous researches, but the fundamental understanding on association process is still…
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…
Polymeric materials that couple deformation and electrostatics have the potential for use in soft sensors and actuators with potential applications ranging from robotic, biomedical, energy, aerospace and automotive technologies. In contrast…
We investigate the dynamics of entanglement between two continuous variable quantum systems. The model system consists of two atoms in a harmonic trap which are interacting by a simplified s-wave scattering. We show, that the dynamically…
Computer simulation studies on the miscibility behavior and single chain properties in binary polymer blends are reviewed. We consider blends of various architectures in order to identify important architectural parameters on a coarse…
We study a model describing some aspects of the dynamics of biopolymers. The models involve either one or two finite chains with a number N of sites that represent the "units" of a biophysical system. The mechanical degrees of freedom of…
A Markov state model is a powerful tool that can be used to track the evolution of populations of configurations in an atomistic representation of a protein. For a coarse-grained linear chain model with discontinuous interactions, the…
We report results of molecular-dynamics simulations for a glassy polymer melt consisting of short, linear bead-spring chains. It was shown in previous work that this onset of the glassy slowing down is compatible with the predictions of the…
The spreading of entanglement in out-of-equilibrium quantum systems is currently at the centre of intense interdisciplinary research efforts involving communities with interests ranging from holography to quantum information. Here we…
We have developed a theory of polymer entanglement using an extended Cahn-Hilliard functional, with two extra terms. One is a nonlocal attractive term, operating over mesoscales, which is interpreted as giving rise to entanglement, and the…
Using coarse-grained molecular-dynamics simulations, a generic styrene-(block)-butadiene-(block)-styrene (SBS) triblock copolymer under lamellar conformation is used in order to investigate the mutual entanglement evolution when a structure…
The objective of this work is to deconvolute the interaction of slip, twinning, and notch on the deformation response of an austenitic manganese (Hadfield) steel using detailed finite element simulations. The simulations employ a…
In this paper we establish a new efficient method for simulating polymer-solvent systems which combines a lattice Boltzmann approach for the fluid with a continuum molecular dynamics (MD) model for the polymer chain. The two parts are…
We study theoretically a model system of a transient network of microemulsion droplets connected by telechelic polymers and explain recent experimental findings. Despite the absence of any specific interactions between either the droplets…
The properties of semiflexible polymers tethered by one end to an impenetrable wall and exposed to oscillatory shear flow are investigated by mesoscale simulations. A polymer, confined in two dimensions, is described by a linear bead-spring…
We study the bead-spring model for a polymerized phantom membrane in the overdamped limit, which is the two-dimensional generalization of the well-known Rouse model for polymers. We derive the {\it exact} eigenmodes of the membrane dynamics…