Related papers: Time-dependent ion transport in heterogeneous perm…
The paper deals with the homogenization of deformable porous media saturated by two-component electrolytes. The model relevant to the microscopic scale describes steady states of the medium while reflecting essential physical phenomena,…
Electroconvective flow between two infinitely long parallel electrodes is investigated via a multiphysics computational model. The model solves for spatiotemporal flow properties using two-relaxation-time Lattice Boltzmann Method for fluid…
We present a modeling study of a nanopore-based transistor computed by a mean-field continuum theory (Poisson-Nernst-Planck, PNP) and a hybrid method including particle simulation (Local Equilibrium Monte Carlo, LEMC) that is able to take…
The ionization of two-active-electron systems by intense laser fields is investigated theoretically. In comparison with time-dependent Hartree-Fock and exact two electron simulation, we show that the ionization rate is overestimated in SAE…
We present a porous electrode model for lithium-ion batteries using Butler--Volmer reaction kinetics. We model lithium concentration in both the solid and fluid phase along with solid and liquid electric potential. Through asymptotic…
The Immersed Interface Method is employed to solve the time-varying electric field equations around a three-dimensional vesicle. To achieve second-order accuracy the implicit jump conditions for the electric potential, up to the second…
We explore the applicability of the transcorrelated method to the elements in the second row of the periodic table. We use transcorrelated Hamiltonians in conjunction with full configuration interaction quantum Monte Carlo and coupled…
We study the effect of electron-electron interaction on a two dimensional (2D) disordered lattice. For the case of two electrons the analytical estimates are presented showing a transition from localized to delocalized states in a way…
In this paper, we propose and analyze a second order accurate (in both time and space) numerical scheme for the Poisson-Nernst-Planck-Navier-Stokes system, which describes the ion electro-diffusion in fluids. In particular, the…
Intense-field ionization of the hydrogen molecular ion by linearly-polarized light is modelled by direct solution of the fixed-nuclei time-dependent Schr\"odinger equation and compared with recent experiments. Parallel transitions are…
Maxwell's equations in curved space-time are invariant under electromagnetic duality transformations. We exploit this property to constraint the design parameters of metamaterials used for transformations optics. We show that a general…
We propose an analytical method for understanding the problem of multi-channel electron transfer reaction in solution, modeled by a particle undergoing diffusive motion under the influence of one donor and several acceptor potentials. The…
We analyze the translocation of a charged particle across an Alpha-Hemolysin (aHL) pore in the framework of a driven diffusion over an extended energy barrier generated by the electrical charges of the aHL. A one-dimensional electrostatic…
Mobile charge in an electrolytic solution can in principle be represented as the divergence of ionic polarization. After adding explicit solvent polarization a finite volume of electrolyte can then be treated as a composite non-uniform…
We obtain an exact solution of the time-dependent Schroedinger equation for a two-electron system confined to a plane by an isotropic parabolic potential whose curvature is periodically modulated in time. From this solution we compute the…
Perm-selective ion transportation in a nanoscale structure has been extensively studied with aids of nanofabrication technology for a decade. While theoretical and experimental advances pushed the phenomenon to seminal innovative…
We present a multi-layer mathematical model to describe the the transdermal drug release from an iontophoretic system. The Nernst-Planck equation describe the basic convection-diffusion process, with the electric potential obtained by…
The transmembrane voltage, $V$, which is the potential drop required to nullify the electrical current ($i=0$), is a key characteristic of water desalination and energy harvesting systems that utilize macroscopically large nanoporous…
A nonlinear Poisson--Boltzmann equation with transmission boundary conditions at the interface between two materials is investigated. The model describes the electrostatic potential generated by a vector of ion concentrations in a periodic…
In this paper we extend the homogenization results obtained in (G. Allaire, A. Mikeli\'c, A. Piatnitski, J. Math. Phys. 51 (2010), 123103) for a system of partial differential equations describing the transport of a N-component electrolyte…