Efficient, positive, and energy stable schemes for multi-d Poisson-Nernst-Planck systems

DOI10.1007/S10915-021-01503-1MaRDI QIDQ2031872zbMATH OpenOpenAlexFDO

Authors Wumaier Maimaitiyiming, Hailiang Liu

Publication date 15 June 2021

Published in Journal of Scientific Computing (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2001.08350

zbMATH Keywords

energy decaymass conservationPoisson-Nernst-Planck equationspositivitysemi-implicit discretizationsteady-state

Mathematics Subject Classification ID

Existence problems for PDEs: global existence, local existence, non-existence (35A01) Boundary value problems for second-order elliptic systems (35J57) PDEs in connection with biology, chemistry and other natural sciences (35Q92) Finite difference methods for initial value and initial-boundary value problems involving PDEs (65M06) Finite difference methods for boundary value problems involving PDEs (65N06) Finite volume methods for boundary value problems involving PDEs (65N08) Stability and convergence of numerical methods for boundary value problems involving PDEs (65N12) Statistical mechanics of semiconductors (82D37) General biology and biomathematics (92B05)

Abstract: In this paper, we design, analyze, and numerically validate positive and energy-dissipating schemes for solving the time-dependent multi-dimensional system of Poisson-Nernst-Planck (PNP) equations, which has found much use in the modeling of biological membrane channels and semiconductor devices. The semi-implicit time discretization based on a reformulation of the system gives a well-posed elliptic system, which is shown to preserve solution positivity for arbitrary time steps. The first order (in time) fully-discrete scheme is shown to preserve solution positivity and mass conservation unconditionally, and energy dissipation with only a mild $O(1)$ time step restriction. The scheme is also shown to preserve the steady-state. For the fully second order (in both time and space) scheme with large time steps, solution positivity is restored by a local scaling limiter, which is shown to maintain the spatial accuracy. These schemes are easy to implement. Several three-dimensional numerical examples verify our theoretical findings and demonstrate the accuracy, efficiency, and robustness of the proposed schemes, as well as the fast approach to steady states.

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Cites work

• A conservative, free energy dissipating, and positivity preserving finite difference scheme for multi-dimensional nonlocal Fokker-Planck equation
• A Flexible Inner-Outer Preconditioned GMRES Algorithm
• A free energy satisfying discontinuous Galerkin method for one-dimensional Poisson-Nernst-Planck systems
• A free energy satisfying finite difference method for Poisson-Nernst-Planck equations
• A fully discrete positivity-preserving and energy-dissipative finite difference scheme for Poisson-Nernst-Planck equations
• A mathematical model for the hard sphere repulsion in ionic solutions
• A modified Poisson-Nernst-Planck model with excluded volume effect: theory and numerical implementation
• A positivity preserving and free energy dissipative difference scheme for the Poisson-Nernst-Planck system
• An energy preserving finite difference scheme for the Poisson-Nernst-Planck system
• An entropy satisfying conservative method for the Fokker-Planck equation of the finitely extensible nonlinear elastic dumbbell model
• An iterative discontinuous Galerkin method for solving the nonlinear Poisson Boltzmann equation
• Analysis and practical use of flexible biCGStab
• Analysis of the mean field free energy functional of electrolyte solution with nonhomogenous boundary conditions and the generalized PB/PNP equations with inhomogeneous dielectric permittivity
• Consistency of Semiconductor Modeling: An Existence/Stability Analysis for the Stationary Van Roosbroeck System
• Continuum electrostatics for ionic solutions with non-uniform ionic sizes
• Energetically stable discretizations for charge transport and electrokinetic models
• Error Estimates for the Iterative Discontinuous Galerkin Method to the Nonlinear Poisson-Boltzmann Equation
• Geometric Singular Perturbation Approach to Steady-State Poisson--Nernst--Planck Systems
• scientific article; zbMATH DE number 108361 (Why is no real title available?)
• scientific article; zbMATH DE number 3245741 (Why is no real title available?)
• Linearized conservative finite element methods for the Nernst-Planck-Poisson equations
• Nonlinear Poisson-Nernst-Planck equations for ion flux through confined geometries
• Numerical solution of 3D Poisson-Nernst-Planck equations coupled with classical density functional theory for modeling ion and electron transport in a confined environment
• On the Chang and Cooper scheme applied to a linear Fokker-Planck equation
• Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes. I: Finite element solutions
• Poisson-Nernst-Planck systems for ion flow with density functional theory for hard-sphere potential: I-V relations and critical potentials. I: Analysis
• Positive and free energy satisfying schemes for diffusion with interaction potentials
• Positivity preserving finite difference methods for Poisson-Nernst-Planck equations with steric interactions: application to slit-shaped nanopore conductance
• Qualitative Properties of Steady-State Poisson--Nernst--Planck Systems: Mathematical Study
• Second-order Poisson-Nernst-Planck solver for ion transport
• Unconditional Positivity-Preserving and Energy StableSchemesforaReducedPoisson-Nernst-Planck System
• Variational multiscale models for charge transport

Cited in

(44)

• A free energy satisfying discontinuous Galerkin method for one-dimensional Poisson-Nernst-Planck systems
• An energy preserving finite difference scheme for the Poisson-Nernst-Planck system
• A study of the numerical stability of an ImEx scheme with application to the Poisson-Nernst-Planck equations
• Unconditionally positivity preserving and energy dissipative schemes for Poisson-Nernst-Planck equations
• A positivity-preserving and free energy dissipative hybrid scheme for the Poisson-Nernst-Planck equations on polygonal and polyhedral meshes
• An iteration solver for the Poisson-Nernst-Planck system and its convergence analysis
• A dynamic mass transport method for Poisson-Nernst-Planck equations
• Positive and free energy satisfying schemes for diffusion with interaction potentials
• Positivity-preserving third order DG schemes for Poisson-Nernst-Planck equations
• High-order space-time finite element methods for the Poisson-Nernst-Planck equations: positivity and unconditional energy stability
• A structure-preserving finite element discretization for the time-dependent Nernst-Planck equation
• A fully discrete positivity-preserving and energy-dissipative finite difference scheme for Poisson-Nernst-Planck equations
• A positivity preserving and free energy dissipative difference scheme for the Poisson-Nernst-Planck system
• Structure-preserving numerical method for Maxwell-Ampère Nernst-Planck model
• Difference/spectral methods for Nernst-Planck-Poisson equation
• Bound/positivity preserving and energy stable scalar auxiliary variable schemes for dissipative systems: applications to Keller-Segel and Poisson-Nernst-Planck equations
• A positivity-preserving, energy stable and convergent numerical scheme for the Poisson-Nernst-Planck system
• An energy stable and positivity-preserving scheme for the Maxwell-Stefan diffusion system
• Efficient time-stepping/spectral methods for the Navier-Stokes-Nernst-Planck-Poisson equations
• Unconditional Positivity-Preserving and Energy StableSchemesforaReducedPoisson-Nernst-Planck System
• Optimal rate convergence analysis of a second order numerical scheme for the Poisson-Nernst-Planck system
• A Structure-Preserving JKO Scheme for the SizeModified Poisson-Nernst-Planck-Cahn-Hilliard Equations
• Pseudoparticle representation and positivity analysis of explicit and implicit Steger-Warming FVS schemes
• Direct numerical simulation of electrokinetic transport phenomena in fluids: variational multi-scale stabilization and octree-based mesh refinement
• Error estimates for the finite element method of the Navier-Stokes-Poisson-Nernst-Planck equations
• Energy dissipative and positivity preserving schemes for large-convection ion transport with steric and solvation effects
• An unconditionally energy stable linear scheme for Poisson-Nernst-Planck equations
• A positivity-preserving, linear, energy stable and convergent numerical scheme for the Poisson-Nernst-Planck (PNP) system
• Efficiently high-order time-stepping R-GSAV schemes for the Navier-Stokes-Poisson-Nernst-Planck equations
• Local structure-preserving relaxation method for equilibrium of charged systems on unstructured meshes
• Finite difference approximation with ADI scheme for two-dimensional Keller-Segel equations
• Two finite element approaches for the porous medium equation that are positivity preserving and energy stable
• Effects of Brownian motion on solitary wave structures for 1D stochastic Poisson-Nernst-Planck system in electrobiochemical
• A structure-preserving implicit exponential time differencing scheme for Maxwell-Ampère Nernst-Planck model
• Convergence and superconvergence analysis for a mass conservative, energy stable and linearized BDF2 scheme of the Poisson-Nernst-Planck equations
• A positivity-preserving hybrid DDG method for Poisson-Nernst-Planck systems
• A structure-preserving decoupled numerical method for Navier-Stokes-Nernst-Planck-Maxwell system
• A decoupled structure preserving scheme for the Poisson-Nernst-Planck Navier-Stokes equations and its error analysis
• Positivity-preserving and energy-dissipating discontinuous Galerkin methods for nonlinear nonlocal Fokker-Planck equations
• Second-order, positive, and unconditional energy dissipative scheme for modified Poisson-Nernst-Planck equations
• The Onsager principle and structure preserving numerical schemes
• Convergence analysis on a second-order, positive, and unconditional energy dissipative scheme for the Poisson-Nernst-Planck equations
• Structure-preserving discretization of the Poisson-Nernst-Planck equations via the Onsager principle
• An exponential supplementary variable method for preserving multiple physical quantities in the Poisson-Nernst-Planck system

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