Related papers: Validation of a model for an ionic electro-active …
The addition of filler particles to polymer electrolytes is known to increment their ionic conductivity (IC). A detailed understanding of how the interactions between the constituent materials are responsible for the enhancement, remains to…
The conformational and dynamical properties of active Brownian polymers embedded in a fluid depend on the nature of the driving mechanism, e.g., self-propulsion or external actuation of the monomers. Implementations of self-propelled and…
We have used coarse-grained simulation methods to investigate the effect of stretching-induced structure orientation on the proton conductivity of Nafion-like polyelectrolyte membranes. Recent experimental data on the morphology of ionomers…
We study the model of a partially directed flexible or semi-flexible homopolymer on a square lattice, subject to an externally applied force, in a direction either parallel to, or perpendicular to the preferred direction. The polymer is…
We perform numerical simulations of isolated, partially active polymers, driven out-of-equilibrium by a fraction of their monomers. We show that, if the active beads are all gathered in a contiguous block, the position of the section along…
We describe the general phenomenon of `induced-charge electro-osmosis' (ICEO) -- the nonlinear electro-osmotic slip that occurs when an applied field acts on the ionic charge it {\sl induces} around a polarizable surface. Motivated by a…
Electrohydrodynamic instabilities of fluid-fluid interfaces can be exploited in various microfluidic applications in order to enhance mixing, replicate well-controlled patterns or generate drops of a particular size. In this work, we study…
Three series of tensile relaxation tests are performed on isotactic polypropylene at room temperature in the vicinity of the yield point. In the first series of experiments, injection-molded samples are used without thermal pre-treatment.…
Hydrodynamic slip of a liquid at a solid surface represents a fundamental phenomenon in fluid dynamics that governs liquid transport at small scales. For polymeric liquids, de Gennes predicted that the Navier boundary condition together…
A novel statistical model for the cooperative binding of monomeric ligands to a linear lattice is developed to study the interaction of ionic surfactant molecules with flexible polyion chain in dilute solution. Electrostatic binding of a…
The ions produced via collisional ionization of the residual gas molecules in vacuum pipe with the circulating electron beam have deleterious effect on the beam properties and may become a limiting factor for the machine's performance. For…
Anion exchange membranes (AEMs) are promising candidates for replacing proton exchange membranes (PEMs) in electrochemical devices such as fuel cells, electrolyzers, batteries, and osmotic energy extraction systems. However, optimizing the…
We report a new Quantum Mechanical/Molecular Dynamics (QM/MD) simulation loop to model the coupling between the electron and atom dynamics in solid/liquid interfacial systems. The method can describe simultaneously both the quantum…
In this work we study the assisted translocation of a polymer across a membrane nanopore, inside which a molecular motor exerts a force fuelled by the hydrolysis of ATP molecules. In our model the motor switches to its active state for a…
We present quasi-exact ab initio path integral Monte Carlo (PIMC) results for the partial static density responses and local field factors of hydrogen in the warm dense matter regime, from solid density conditions to the strongly compressed…
The present work addresses the simulation of pore emptying during the drying of battery electrodes. For this purpose, a model based on the multiphase-field method (MPF) is used, since it is an established approach for modeling and…
The electrical impedance response of Gelatin based solid polymer electrolyte to gamma irradiation is investigated by impedance spectroscopy. An analysis based on Poisson-Nernst-Plank model, incorporating fractional time derivatives is…
The physics of itinerant electrons in condensed matter is by and large governed by repulsive Coulomb forces. However, rare cases exist where local attractive interactions emerge and prevail in determining the ground state of the system…
Inverse Patchy Colloids (IPCs) differ from conventional patchy particles because their patches repel (rather than attract) each other and attract (rather than repel) the part of the colloidal surface that is free of patches. These…
The interplay between charge stripes and pairing has long been a subject of scrutiny in a broad class of unconventional superconductors, as in some cases it is unclear whether this interplay benefits the ensuing superfluidity. Experiments…