相关论文: A thermodynamically consistent constitutive equati…
We present large-scale molecular dynamics simulations for a coarse-grained model of polymer melts in equilibrium. From detailed Rouse mode analysis we show that the time-dependent relaxation of the autocorrelation function (ACF) of modes…
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…
Reptation theory has been highly successful in explaining the unusual material properties of entangled polymer solutions. It reduces the complex many-body dynamics to a single-polymer description where each polymer is envisaged to be…
Some recent results on the rotational dynamics of polymers are reviewed and extended. We focus here on the relaxation of a polymer, either flexible or semiflexible, initially wrapped around a rigid rod. We also study the steady polymer…
We analyze the capillarity-driven thinning dynamics of entangled polymer solutions described by the Doi-Edwards-Marrucci-Grizzuti (DEMG) model and the Rolie-Poly (RP) model. Both models capture polymer reptation, finite rates of chain…
In 1975 Doi and Edwards predicted that entangled polymer melts and solutions can have a constitutive instability, signified by a decreasing stress for shear rates greater than the inverse of the reptation time. Experiments did not support…
Spatially inhomogeneous shear flow occurs in entangled polymer solutions, both as steady state shear banding and transiently after a large step strain or during start up to a steady uniform shear rate. Steady state shear banding is a…
In this proceedings contribution, we review the exact solution of the anisotropic hydrodynamics equations for a system subject to Gubser flow. For this purpose, we use the leading-order anisotropic hydrodynamics equations which assume that…
In this work we describe the dynamics of a highly anisotropic system undergoing boost-invariant longitudinal and azimuthally symmetric radial expansion (Gubser flow) for arbitrary shear viscosity to entropy density ratio. We derive the…
We derive the equations of motion for a system undergoing boost-invariant longitudinal and azimuthally-symmetric transverse "Gubser flow" using leading-order anisotropic hydrodynamics. This is accomplished by assuming that the one-particle…
We investigate the universality of entanglement kinetics in polymer melts. We compare predictions of a recently developed constitutive equation for disentanglement to molecular dynamics simulations of both united-atom polyethylene and…
We present an extensive analysis of the relaxation dynamics of entangled linear polymer melts via long-time molecular dynamics simulations of a generic bead-spring model. We study the mean-squared displacements, the autocorrelation function…
A geometrically nonlinear continuum mechanical theory is formulated for deformation and failure behaviors of amorphous polymers. The model seeks to capture material response over a range of loading rates, temperatures, and stress states…
Polymer entanglements lead to complicated topological constraints and interactions between neighbouring chains in a dense solution or melt. Entanglements can be treated in a mean field approach, within the famous reptation model, since they…
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…
We determine the energy-momentum tensor of non-perfect fluids in thermodynamic equilibrium. To this end, we derive the constitutive equations for energy density, isotropic and anisotropic pressure as well as for heat-flux from the…
The theory of the dynamics of polymers in solution is developed coming from the hydrodynamic theory of the Brownian motion (BM) and the Rouse-Zimm (RZ) model. It is shown that the time correlation functions describing the polymer motion…
In this paper we extend the Gaussian self-consistent method to permit study of the equilibrium and kinetics of conformational transitions for heteropolymers with any given primary sequence. The kinetic equations earlier derived by us are…
The dynamics of polymers in a random smooth flow is investigated in the framework of the Hookean dumbbell model. The analytical expression of the time-dependent probability density function of polymer elongation is derived explicitly for a…
Motivated by a recent work on the metabolism of carbohydrates in bacteria, we study the kinetics and thermodynamics of two classic models for reversible polymerization, one preserving the total polymer concentration and the other one not.…