Related papers: Finite field formalism for bulk electrolyte soluti…
Nuclear response theory beyond the one-loop approximation is formulated for the case of finite temperature. For this purpose, the time blocking approximation to the time-dependent part of the in-medium nucleon-nucleon interaction amplitude…
We consider systems of nonlinear magnetostatics and quasistatics that typically arise in the modeling and simulation of electric machines. The nonlinear problems, eventually obtained after time discretization, are usually solved by…
We present a continuum theory of electrolytes composed of a waterlike solvent and univalent ions. First, we start with a density functional $\cal F$ for the coarse-grained solvent, cation, and anion densities, including the Debye-H\"uckel…
The static dielectric constant of liquid water is computed using classical force field based molecular dynamics simulation at fixed electric displacement D. The method to constrain the electric displacement is the finite temperature…
We investigate active electrolytes within the mean-field level of description. The focus is on how the double-layer structure of passive, thermalized charges is affected by active dynamics of all constituting ions. One feature of active…
We present a nonlocal statistical field theory of a dilute electrolyte solution with small additive of dipolar particles. We postulate that every dipolar particle is associated with an arbitrary probability distribution function (PDF) of…
Stochastic density functional theory is applied to analyze the conductivity of strong two species electrolytes at arbitrary field strengths. The corresponding stochastic equations for the density of the electrolyte species are solved by…
In this thesis we present a new formalism to study linear and non-linear response in extended systems. Our approach is based on real-time solution of an effective Schr\"odinger equation. The coupling between electrons and external field is…
This work extends the high-resolution isogeometric analysis approach established for scalar transport equations to the equations of gas dynamics. The group finite element formulation is adopted to obtain an efficient assembly procedure for…
Point polarizable molecules at fixed spatial positions have solvable electrostatic properties in classical approximation, the most familiar being the Clausius-Mossotti (CM) formula. This paper generalizes the model and imagines various…
We investigate the coupled dynamics of concentration and charge in asymmetric 1:1 electrolytes, focusing on the interplay between diffusion asymmetry and external electric fields. Using Brownian dynamics simulations and linearized…
The electric conductivity of ionic solutions is well understood at low ionic concentrations of up to a few millimolar but becomes difficult to unravel at higher concentrations that are still common in nature and technological applications.…
We propose a novel phase-field model for solute precipitation and dissolution in liquid solutions. Unlike in previous studies with similar scope, in our model the two non-linear coupled governing equations of the problem, which deliver the…
To close the moment model deduced from kinetic equations, the canonical approach is to provide an approximation to the flux function not able to be depicted by the moments in the reduced model. In this paper, we propose a brand new closure…
Two of the most challenging tasks in molecular simulation consist in capturing the properties of systems with long-range interactions (e.g. electrolyte solutions) as well as systems containing large molecules such as hydrogels. For the…
We consider the Maxwell field coupled to a single rotating charge. This Hamiltonian system admits soliton-type solutions, where the field is static, while the charge rotates with constant angular velocity. We prove that any solution of…
This paper examines the response of electrolyte-saturated polymer gels, embedded with charged spherical inclusions, to a weak gradient of electrolyte concentration. These composites present a model system to study microscale electrokinetic…
We use a new configuration-based version of linear response theory to efficiently solve self-consistent mean field equations relating an effective single particle potential to the induced density. The versatility and accuracy of the method…
In biological and synthetic materials, many important processes involve charges that are present in a medium with spatially varying dielectric permittivity. To accurately understand the role of electrostatic interactions in such systems, it…
In the context of describing electrons in solids as a fluid in the hydrodynamic regime, we consider a flow of electrons in a channel of finite width, i.e.~a Poiseuille flow. The electrons are accelerated by a constant electric field. We…