Related papers: Local dynamics and primitive path analysis for a m…
We investigated the static and dynamic properties of a Rouse ring polymer modified by introducing an effective, spherically symmetric, attractive potential of entropic nature and a memory function describing the effect of dynamic…
We study the dynamics of a dilute solution of rigid rodlike polymers in a viscous fluid at low Reynolds number by means of numerical simulations of a simple rheological model. We show that the rotational dynamics of polymers destabilizes…
The non-linear response of entangled polymers to shear flow is complicated. Its current understanding is framed mainly as a rheological description in terms of the complex viscosity. However, the full picture requires an assessment of the…
The results obtained from molecular dynamics simulations of the friction at an interface between polymer melts and weakly attractive crystalline surfaces are reported. We consider a coarse-grained bead-spring model of linear chains with…
While recent efforts have shown how local structure plays an essential role in the dynamic heterogeneity of homogeneous glass-forming materials, systems containing interfaces such as thin films or composite materials remain poorly…
We report on quantitative comparisons between simulation results of a bead-spring model and mode-coupling theory calculations for the structural and conformational dynamics of a supercooled, unentangled polymer melt. We find…
The reptation concept in polymer dynamics is studied for model chains with added stiffness. The main idea of a chain diffusing inside a tube can be transferred from fully flexible chains. However, the picture, which renormalizes the chain…
The current theories on the mechanism for polymer drag-reduction (DR) are generally applicable for long-chain flexible polymers that form viscoelastic solutions. Rigid polymer solutions that generate DR seemingly lack prevalent viscoelastic…
The depletion interaction between two parallel repulsive walls confining a dilute solution of long and flexible polymer chains is studied by field-theoretic methods. Special attention is paid to self-avoidance between chain monomers…
We study the physics of turbulent/non-turbulent interface of an isolated turbulent region in dilute polymer solutions and Newtonian fluid. The performance of a FENE-P model with a localized homogeneous forcing is verified using the…
Extensive molecular simulations are applied to characterize the equilibrium dynamics, entanglement topology, and nonlinear extensional rheology of symmetric ring-linear polymer blends with systematically varied ring fraction $\phi_R$.…
In this paper, we employ Molecular Dynamics computer simulations to study and compare the statics and dynamics of linear and circular (ring) polymer chains in entangled solutions of different densities. While we confirm that linear chain…
Drawing inspiration from the concept of the "primitive path" of a linear chain in melt conditions, we introduce here a numerical protocol which allows us to detect, in an unambiguous manner, the "primitive shapes" of ring polymers in…
We have developed a new multiscale simulation technique to investigate history-dependent flow behavior of entangled polymer melt, using a smoothed particle hydrodynamics simulation with microscopic simulators that account for the dynamics…
The dynamical mechanism at the origin of the non-local rheology of dense granular flows is investigated trough discrete element simulations. We show that the influence of a shear band on the mechanical behavior of a distant zone is…
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…
Flows of granular media down a rough inclined plane demonstrate a number of nonlocal phenomena. We apply the recently proposed nonlocal granular fluidity model to this geometry and find that the model captures many of these effects.…
The dynamics of a single chain tethered to an interface and in contact with a cross-linked network is examined numerically. When the network is put in contact with the tethered chain, the chain moves with dynamics that are highly…
The ice-rubber interface is critical in applications such as tires and shoe outsoles, yet its molecular tribology remains unclear. Using all-atom molecular dynamics simulations, we studied premelting layers at the basal face of ice in…
To go beyond the simple model for the fold as two flexible surfaces or faces linked by a crease that behaves as an elastic hinge, we carefully shape and anneal a crease within a polymer sheet and study its mechanical response. First, we…