Related papers: Validation of a model for an ionic electro-active …
A self-interacting polymer can undergo an orientational ordering transition, depending on the magnitude of the nematic interaction. The effect of embedding such a polymer into a flexible surface on this transition is studied on the…
By using the transfer matrix approach, we investigate the asymptotic behavior of the entropy of flexible chains with $M$ monomers each placed on stripes. In the limit of high density of monomers, we study the behavior of the entropy as a…
Plasmons in two-dimensional electron gas (2DEG) strips with grounded electrodes (a gate or side contacts) are investigated. We consider two systems: (a) the 2DEG strip with a highly conducting gate and (b) the 2DEG strip with semi-infinite…
In this paper we present a computer simulation study of ionic conductivity in solid polymeric electrolytes. The multiphase nature of the material is taken into account. The polymer is represented by a regular lattice whose sites represent…
We report on what we believe is the first demonstration of an optically activated cantilever due to photomechanical effects in a dye-doped polymer optical fiber. The fiber is observed to bend when light is launched off-axis. The…
We report the mechanical response of a model nanocomposite system of poly(styrene) (PS)-silica to large-amplitude oscillatory shear deformations. Nonlinear behavior of PS nanocomposites is discussed with the changes in particle dispersion…
The article explores the ion flux response of a capacitor configuration to an alternating voltage. The model system comprises a symmetric binary electrolyte confined between plan-parallel capacitor plates. The AC response is investigated…
The possibility to extract properties of an interface between two immiscible liquids, e.g., electrolyte solutions or polyelectrolyte multilayers, by means of impedance spectroscopy is investigated theoretically within a dynamic density…
Ionic transport processes govern performance in many classic and emerging devices, ranging from battery storage to modern mixed-conduction electrochemical transistors. Here, we study local ion transport dynamics in polymer films using…
A computational method is developed for the study of mechanical response and fracture behavior of phase field crystals (PFC), to overcome a limitation of the PFC dynamics which lacks an effective mechanism for describing fast mechanical…
Plasticized poly(vinyl chloride) (PVC) is a jelly-like soft dielectric material that attracted substantial interest recently as a new type of electro-active polymers. Under electric fields of several hundred Volt/mm, PVC gels undergo large…
The ability to induce regions of high and low ionic concentration adjacent to a permeselective membrane or nanochannel subject to an externally applied electric field (a phenomenon termed concentration-polarization) has been used for a…
We demonstrate a practical way to perform decomposition of the elasto-plastic deformation directly from atomistic simulation snapshots. Through molecular dynamics simulations on a large single crystal, we elucidate the intricate process of…
A capacitor consisting of the [bmim][NTf$_2$] ionic liquid (IL) confined in between planar graphite electrodes has been investigated by molecular dynamics based on an all-atom, unpolarizable force field. Despite a few peculiarities due to…
We report a multiscale modeling study for charged cylindrical nanopores using three modeling levels that include (1) an all-atom explicit-water model studied with molecular dynamics (MD), and reduced models with implicit water containing…
In situ electrochemical dilatometry was used to study, for the first time, the expansion behavior of a porous carbon electrode in a pure ionic liquid, 1-ethyl-3-methyl-imidazolium-tetrafluoroborate. For a single electrode, an applied…
Nonlinear behavior of electro-osmosis in dilute non-adsorbing polymer solutions with low salinity is investigated with Brownian dynamics simulations and a kinetic theory. In the Brownian simulations, the hydrodynamic interaction between the…
The effect of a linear polymer dissolved in a reactive monomer on the kinetics of free-radical polymerization is studied. The selected system was a solution of polyisobutylene (PIB) in isobornyl methacrylate (IBoMA). Ternary phase diagrams…
The electron and hole drift mobilities of organic semiconductor layers, localized tail state distributions, and bimolecular recombination constants in working polymer light-emitting diodes (PLEDs) are determined simultaneously using…
We investigate the structural and thermodynamic properties of a new class of patchy colloids, referred to as inverse patchy colloids (IPCs) in their fluid phase via both theoretical methods and simulations. IPCs are nano- or micro- meter…