Related papers: Finite-Difference Approximations and Local Algorit…
In this paper, asymptotic compatibility error estimates of a finite element discretization is presented for 2D nonlocal Poisson problems with Neumann boundary conditions. To this end, we begin with deriving two kind of nonlocal Neumann…
A solution to the linear Boltzmann equation satisfies an energy bound, which reflects a natural fact: The energy of particles in a finite volume is bounded in time by the energy of particles initially occupying the volume augmented by the…
We consider the Poisson-Boltzmann equation in a periodic cell, representative of a porous medium. It is a model for the electrostatic distribution of $N$ chemical species diluted in a liquid at rest, occupying the pore space with charged…
We consider the issue of strict, fully discrete \emph{local} energy conservation for a whole class of fully implicit local-charge- and global-energy-conserving particle-in-cell (PIC) algorithms. Earlier studies demonstrated these algorithms…
The Poisson-Boltzmann equation (PBE) is a nonlinear elliptic PDE that arises in biomolecular modeling and is a fundamental tool for structural biology. It is used to calculate electrostatic potentials around an ensemble of fixed charges…
We first extend the construction of generalized barycentric coordinates (GBC) based on the vertices on the boundary of a polygon $\Omega$ to a new kind of GBCs based on vertices inside the $\Omega$ of interest. For clarity, the standard…
An approximate analytical solution to the fluctuation potential problem in the modified Poisson-Boltzmann theory of electrolyte solutions in the restricted primitive model is presented. The solution is valid for all inter-ionic distances,…
We develop a structure-preserving numerical discretization for the electrostatic Euler-Poisson equations with a constant magnetic field. The scheme preserves positivity of the density, positivity of the internal energy and a minimum…
In this work a dynamical system approach is taken to systematically investigate the one-dimensional classical Poisson-Boltzmann (PB) equation with various boundary conditions. This framework, particularly, the phase space portrait, has a…
We propose a modified Poisson-Nernst-Planck (PNP) model to investigate charge transport in electrolytes of inhomogeneous dielectric environment. The model includes the ionic polarization due to the dielectric inhomogeneity and the ion-ion…
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…
We establish inequalities for assessing the distance between the distribution of a (possibly multidimensional) functional of a Poisson random measure and that of a Gaussian element. Our bounds only involve add-one cost operators at the…
In this paper we have derived explicitly computable bounds on the error in energy norms for the fully nonlinear Poisson-Boltzmann equation. Together with the computable bounds, we have also obtained efficient error indicators which can…
The interaction between charged bodies in an ionic solution is a general problem in colloid physics and becomes a central topic in the study of biological systems where the electrostatic interaction between proteins, nucleic acids,…
We establish new quantitative estimates for localized finite differences of solutions to the Poisson problem for the fractional Laplace operator with homogeneous Dirichlet conditions of solid type settled in bounded domains satisfying the…
The local relaxation algorithm is promising for fast solution of Poisson's equations, which computes the electric field distribution in a stepwise manner via local curl-free updates while strictly enforcing Gauss's law. We propose a novel…
A second order accurate (in time) numerical scheme is proposed and analyzed for the Poisson-Nernst-Planck equation (PNP) system, reformulated as a non-constant mobility $H^{-1}$ gradient flow in the Energetic Variational Approach (EnVarA).…
We study a two-grid strategy for decoupling the time-dependent Poisson-Nernst-Planck equations describing the mass concentration of ions and the electrostatic potential. The computational system is decoupled to smaller systems by using…
The structure and degeneracy of ground states of the Gross-Pitaevskii energy functional play a central role in both analysis and computation, yet a precise characterization of the ground-state manifold in the presence of symmetries remains…
Boundary conditions (BCs) are a key component in every Physics-Informed Neural Network (PINN). By defining the solution to partial differential equations (PDEs) along domain boundaries, BCs constrain the underlying boundary value problem…