相关论文: Viscoelasticity and primitive path analysis of ent…

The primitive-path analysis (PPA) {[}R. Everaers et al. Science 303, 823, (2004){]} is an algorithm that transforms a model polymer melt into its topologically equivalent mesh by removing excess contour length stored in thermal…

Primitive path analysis algorithms are now routinely employed to analyze entanglements in computer simulations of polymeric systems, but different analysis protocols result in different estimates of the entanglement length, N_e. Here we…

Polymer melts undergoing large deformation by uniaxial elongation are studied by molecular dynamics simulations of bead-spring chains in melts. Applying a primitive path analysis to strongly deformed polymer melts, the role of topological…

We use recently developed primitive path analysis (PPA) methods to study the effect of equilibration on entanglement density in model polymeric systems. Values of N_e for two commonly used equilibration methods differ by a factor of two or…

We introduce an algorithm for the reduction of computer generated atomistic polymer samples to networks of primitive paths. By examining network ensembles of Polyethylene and cis-1,4 Polybutadiene melts, we quantify the underlying…

By combining molecular dynamics simulations and topological analyses with scaling arguments, we obtain analytic expressions that quantitatively predict the entanglement length $N_e$, the plateau modulus $G$, and the tube diameter $a$ in…

Primitive path analyses of entanglements are performed over a wide range of chain lengths for both bead spring and atomistic polyethylene polymer melts. Estimators for the entanglement length N_e which operate on results for a single chain…

By applying local primitive path and Rouse modes analysis we study the chains conformations, local dynamics and viscosity of a model polymer melt in a polymer-wall interface. We establish that the presence of a repulsive wall leads to…

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 $\phi_R$.…

We have investigated the viscosity and the plateau modulus of actin solutions with a magnetically driven rotating disc rheometer. For entangled solutions we observed a scaling of the plateau modulus versus concentration with a power of 7/5.…

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…

Entangled networks of stiff biopolymers exhibit complex dynamic response, emerging from the topological constraints that neighboring filaments impose upon each other. We propose a class of reference models for entanglement dynamics of stiff…

Confinement is a versatile and well-established tool to study the properties of polymers either to understand biological processes or to develop new nano-biomaterials. We investigate the conformations of a semiflexible polymer ring in weak…

Although the behavior of entangled polymers in startup shear flows with constant shear rates has been thoroughly investigated, the response under creep has not been frequently considered. In this study, primitive chain network simulations,…

The polymer systems are discussed in the framework of the Landau-Ginzburg model. The model is derived from the mesoscopic Edwards hamiltonian via the conditional partition function. We discuss flexible, semiflexible and rigid polymers. The…

We present experimental evidence that the effective medium approximation (EMA), developed by D.C. Morse [Phys. Rev. E {\bf 63}, 031502, (2001)], provides the correct scaling law of the macroscopic plateau modulus…

This review describes the development and applications of multi-chain coarse-grained simulations for entangled polymer dynamics. The mean-field tube model has long served as the standard paradigm for describing the many-body entanglement…

Equilibration of polymer melts containing highly entangled long polymer chains in confinement or with free surfaces is a challenge for computer simulations. We approach this problem by first studying polymer melts based on the soft-sphere…

We have mapped the physics of a system of semi-flexible inextensible polymers onto a complex Ginzburg-Landau field theory using techniques of functional integration. It is shown in the limit of low number density of monomers in a melt of…

We estimate the plateau moduli of highly entangled end-pinned bead-spring polymer melts with Z = 100 and Z = 200 from the time-dependent elastic response to a step strain, which we first extrapolate to infinite time and then interpolate to…