Related papers: Interfacial Instability of Charged End-Group Polym…
The problem of the equilibrium state of the charged many-particle system above dielectric surface is formulated.We consider the case of the presence of the external attractive pressing field and the case of its absence. The equilibrium…
We study surface effects in amorphous polymer systems by means of computer simulation. In the framework of molecular dynamics, we present two different methods to prepare such surfaces. {\em Free} surfaces are stabilized solely by…
Two counter-propagating cool and equally dense electron beams are modelled with particle-in-cell (PIC) simulations. The electron beam filamentation instability is examined in one spatial dimension. The box length resolves one pair of…
The broadening in photoelectron spectra of polymers can be attributed to several factors, such as light source spread, spectrometer resolution, finite lifetime of the hole state, and solid-state effects. Here, for the first time, we set up…
The influence of the texture of a hydrophobic surface on the electro-osmotic slip of the second kind and the electrokinetic instability near charge-selective surfaces (permselective membranes, electrodes, or systems of micro- and…
Spatial configurations of randomly charged polymers, known as polyampholytes (PAs), are very sensitive to the overall excess charge Q. Analytical arguments, supported by Monte Carlo simulations and exact enumeration studies, lead to the…
The organization of nano-particles inside grafted polymer layers is governed by the interplay of polymer-induced entropic interactions and the action of externally applied fields. Earlier work had shown that strong external forces can drive…
The effect of external static charging of graphene and its flakes are investigated by using first-principles calculations. While the Fermi level of negatively charged graphene rises and then is quickly pinned by the parabolic, nearly free…
Polyelectrolyte (PE) brushes are widely used in biomaterials and nanotechnology to regulate surface properties and interactions. Here, we apply the electrostatic correlation augmented self-consistent field theory to investigate the…
Uncompensated charges do not occur in Nature and any local charge should be a result of charge separation. Dissociable chemical groups at interfaces in contact with ions in solution, whose chemical equilibrium depends both on short-range…
Entanglement of polymer chains is ubiquitous in elastomers, gels, and biological tissues. While the effects of chain entanglement on elasticity and viscoelasticity of polymer networks have been intensively studied, it remains elusive how…
We study the linear stability of transient electrodeposition in a charged random porous medium, whose pore surface charges can be of any sign, flanked by a pair of planar metal electrodes. Discretization of the linear stability problem…
Molecular Dynamics (MD) simulations are presented for a coarse-grained bead-spring model of ring polymer brushes under compression. Flexible polymer brushes are always disordered during compression, whereas semiflexible brushes tend to be…
The elasticity of disordered and polydisperse polymer networks is a fundamental problem of soft matter physics that is still open. Here, we self-assemble polymer networks via simulations of a mixture of bivalent and tri- or tetravalent…
A long elastic cylinder, radius $a$ and shear-modulus $\mu$, becomes unstable given sufficient surface tension $\gamma$. We show this instability can be simply understood by considering the energy, $E(\lambda)$, of such a cylinder subject…
We describe theoretically ``electrolubrication'' in liquid mixtures, the phenomenon where an electric field applied transverse to the confining surfaces leads to concentration gradients that alter the flow profile significantly. When the…
A device is investigated that continuously and directly converts light into mechanical energy, using polymers and photodissociation. A polymer brush tethered to a surface, is brought into contact with a parallel plate a small distance above…
Simple homogeneous shear flows of frictionless, deformable particles are studied by particle simulations at large shear rates and for differently soft, deformable particles. The particle stiffness sets a time-scale that can be used to scale…
We report a simulation study for bottle-brush polymers grafted on a rigid backbone. Using a standard coarse-grained bead-spring model extensive molecular dynamics simulations for such macromolecules under good solvent conditions are…
Ionic electro-active polymer (Nafion for example) can be used as sensor or actuator. To this end, a thin film of the water-saturated material is sandwiched between two electrodes. Water saturation causes a quasi-complete dissociation of the…