Related papers: Interfacial Slip in Sheared Polymer Blends
A nonequilibrium molecular dynamics computer simulation on microsegregated solutions of symmetrical diblock copolymers is reported. As the polymer concentration increases, the system undergoes phase transitions in the following order: body…
Dimerization and subsequent aggregation of polymers and biopolymers often occur under nonequilibrium conditions. When the initial state of the polymer is not collapsed or the final folded native state, the dynamics of dimerization can…
Chemically-responsive polymers are macromolecules that respond to local variations of the chemical composition of the solution by changing their conformation, with notable examples including polyelectrolytes, proteins and DNA. The polymer…
We present a multiscale hybrid particle-field scheme for the simulation of relaxation and diffusion behavior of soft condensed matter systems. It combines particle-based Brownian dynamics and field-based local dynamics in an adaptive sense…
We use existing 3D Discrete Element simulations of simple shear flows of spheres to evaluate the radial distribution function at contact that enables kinetic theory to correctly predict the pressure and the shear stress, for different…
Using molecular dynamics simulations, we determine the linear and nonlinear viscoelastic properties of a model polymer melt in the unentangled regime. Several approaches are compared for the computation of linear moduli, including…
We calculate statistical properties of amorphous polymer chains between crystalline lamellae by self-consistent field model simulations. In our model, an amorphous subchain is modelled as a polymer chain of which ends are grafted onto the…
Motivated by the need for a theoretical study in a planar geometry that can easily be implemented experimentally, we study the pressure driven Poiseuille flow of a shear banding fluid. After discussing the "basic states" predicted by a one…
Probing the fluid dynamics of thin films is an excellent tool to study the solid/liquid boundary condition. There is no need for external stimulation or pumping of the liquid due to the fact that the dewetting process, an internal…
Sphere-patterned ultrathin block copolymers films are potentially interesting for a variety of applications in nanotechnology. We use self-consistent field theory to investigate the elastic response of sphere monolayer films with respect to…
Wave interaction theory can be used as a tool to understand and predict instability in a variety of homogeneous and stratified shear flows. It is however, most often limited to piecewise-linear profiles of the shear layer background…
We address the general question of how the molecular weight dependence of chain dynamics in unentangled polymers is modified by blending. By dielectric spectroscopy we measure the normal mode relaxation of polyisoprene in blends with a slow…
We study theoretically the formation of shear bands in time-dependent flows of polymeric and wormlike micellar surfactant fluids, focussing on the protocols of step shear stress, step shear strain (or in practice a rapid strain ramp), and…
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…
The role of solvent quality in determining the universal material properties of dilute polymer solutions undergoing steady simple shear flow is examined. A bead-spring chain representation of the polymer molecule is used, and the influence…
We present Brownian dynamics simulation results of a flexible linear polymer with excluded-volume interactions under shear flow in the presence of active noise. The active noise strongly affects the polymer's conformational and dynamical…
Polymer dynamics is analyzed through the lens of linear dimensionality reduction methods, in particular principal (PCA) and time-lagged independent component analysis (tICA). For a polymer undergoing ideal Rouse dynamics, the slow modes…
We investigate spatio-temporal structures in sheared polymer systems by solving a time-dependent Ginzburg-Landau model in two dimensions. (i) In polymer solutions above the coexistence curve, crossover from linear to nonlinear regimes…
The long time dynamics of polymeric materials has been extensively studied in the past through various experimental techniques and computer simulations. While computer simulations typically treat generic, simplified models, experiments deal…
We analyze the structural behavior of a single polymer chain grafted to an attractive, flexible surface. Our model is composed of a coarse-grained bead-and-spring polymer and a tethered membrane. By means of extensive parallel tempering…