Related papers: Electrostatic treatment of charged interfaces in c…
Relativistic unmagnetized cloud-plasma interaction is analyzed by performing linear analysis and particle-in-cell simulation. This course consists of an electron-ion cloud injected into a stationary ambient plasma and has long been a…
How does an electrochemical interface respond to changes in the electrode potential? How does the response affect the key properties of the system - energetics, excess charge, capacitance? Essential questions key to ab-initio simulations of…
The work is devoted to studying some new classical electrodynamics models of interacting charged point particles and the aspects of the quantization via the Dirac procedure related to them. Based on the vacuum field theory no-geometry…
A theory is presented which allows us to quantitatively calculate the excess surface tension of acid solutions. The H^+, in the form of hydronium ion, is found to be strongly adsorbed to the solution-air interface. To account for the…
Usually microscopic electrostatic field around ions is neglected when the ionization energy is concerned. The ionization energy is considered to be equal to that of a separate atom (molecule). Here the energy of the electrostatic field…
A theoretical approach is described for an exact numerical treatment of a pair of ultracold atoms interacting via a central potential that are trapped in a finite three-dimensional optical lattice. The coupling of center-of-mass and…
Implicit solvation is an effective, highly coarse-grained approach in atomic-scale simulations to account for a surrounding liquid electrolyte on the level of a continuous polarizable medium. Originating in molecular chemistry with finite…
We show that atoms interacting with evanescent light fields, generated at the interface of a dielectric with vacuum, experience artificial gauge potentials. These potentials depend crucially on the physical parameters which characterize the…
Theories of solvation free energies often involve electrostatic potentials at the position of a solute charge. Simulation calculations that apply cutoffs and periodic boundary conditions based on molecular centers result in center-dependent…
A non-equilibrium plasma was studied using classical electrodynamic field theory. Non-linear interaction terms contribute to a finite lifetime for the dressed electrodynamic field. The lifetime exhibits a $\sim n^{-1} T_{e}^{3/2}…
Charged systems interacting via Coulomb forces can be efficiently simulated by introducing a local, diffusing degree of freedom for the electric field. This paper formulates the continuum electrodynamic equations corresponding to the…
Conical intersections are common in molecular physics and photochemistry, and are often invoked to explain observed reaction products. A conical intersection can occur when an excited electronic potential energy surface intersects with the…
Dielectric interfaces are crucial to the behavior of charged membranes, from graphene to synthetic and biological lipid bilayers. Understanding electrolyte behavior near these interfaces remains a challenge, especially in the case of rough…
In this paper, we consider a semiconducting device with an active zone made of a single-layer material. The associated Poisson equation for the electrostatic potential (to be solved in order to perform self-consistent computations) is…
We present a method for performing atomistic spin dynamic simulations. A comprehensive summary of all pertinent details for performing the simulations such as equations of motions, models for including temperature, methods of extracting…
We report on experiments with cold thermal $^7$Li atoms confined in combined magnetic and electric potentials. A novel type of three-dimensional trap was formed by modulating a magnetic guide using electrostatic fields. We observed atoms…
We introduce a method of exploring potential energy contours in complex dynamical systems based on potentiostatic kinematics wherein the systems are evolved with minimal changes to their potential energy. We construct a simple iterative…
In simulating charged systems, it is often useful to treat some ionic components of the system at the mean-field level and solve the Poisson-Boltzmann (PB) equation to get their respective density profiles. The numerically intensive task of…
An improved quasistatic model is used to describe the ionization process of atoms in intense linearly polarized fields. Numerical calculations of Above-Threshold-Ionization (ATI) energy spectra and photoelectron angular distributions (PAD)…
We develop a computational method for modeling electrostatic interactions of arbitrarily-shaped, polarizable objects on colloidal length scales, including colloids/nanoparticles, polymers, and surfactants, dispersed in explicit ion…