相关论文: A Modified Poisson--Nernst--Planck Model with Excl…

A canonical partition function for the two-component excluded volume model is derived, leading to two different van der Waals approximations. The one is known as the Lorentz-Berthelot mixture and the other has been proposed recently. Both…

We discuss and analyze the virtual element method on general polygonal meshes for the time-dependent Poisson-Nernst-Planck equations, which are a nonlinear coupled system widely used in semiconductors and ion channels. The spatial…

We propose the Poisson neural networks (PNNs) to learn Poisson systems and trajectories of autonomous systems from data. Based on the Darboux-Lie theorem, the phase flow of a Poisson system can be written as the composition of (1) a…

The Poisson--Boltzmann equation is widely used to model electrostatics in molecular systems. Available software packages solve it using finite difference, finite element, and boundary element methods, where the latter is attractive due to…

We consider an electrodiffusion model that describes the intricate interplay of multiple ionic species with a two-dimensional, incompressible, viscous fluid subjected to stochastic additive noise. This system involves nonlocal nonlinear…

This paper proposes a decoupled numerical scheme of the time-dependent Ginzburg--Landau equations under the temporal gauge. For the magnetic potential and the order parameter, the discrete scheme adopts the second type Ned${\rm…

The Poisson-Boltzmann (PB) theory is one of the most important theoretical models describing charged systems continuously. However, it suffers from neglecting ion correlations, which hinders its applicability to more general charged systems…

The construction of stable, conservative, and accurate volume dissipation is extended to discretizations that possess a generalized summation-by-parts (SBP) property within a tensor-product framework. The dissipation operators can be…

A recently introduced particle-based model for fluid dynamics with effective excluded volume interactions is analyzed in detail. The interactions are modeled by means of stochastic multiparticle collisions which are biased and depend on…

At mesoscopic scales electrolyte solutions are modeled by the fluctuating generalized Poisson-Nernst-Planck (PNP) equations [J.-P. P\'eraud et al., Phys. Rev. F, 1(7):074103, 2016]. However, at length and time scales larger than the Debye…

Confinement can substantially alter the physicochemical properties of materials by breaking translational isotropy and rendering all physical properties position-dependent. Molecular dynamics (MD) simulations have proven instrumental in…

Energy conserving particle-in-cell schemes are constructed for a class of reduced relativistic Vlasov--Maxwell equations of laser-plasma interaction. Discrete Poisson equation is also satisfied by the numerical solution. Specifically,…

We look at the equilibrium of a Brownian particle in an inhomogeneous space following the alternative approach proposed in ref.[1]. We consider a coordinate dependent damping that makes the stochastic dynamics the one with multiplicative…

This paper proposes a meshless deep learning algorithm, enriched physics-informed neural networks (EPINNs), to solve dynamic Poisson-Nernst-Planck (PNP) equations with strong coupling and nonlinear characteristics. The EPINNs takes the…

The Poisson-Boltzmann equation is a widely used model to study the electrostatics in molecular solvation. Its numerical solution using a boundary integral formulation requires a mesh on the molecular surface only, yielding accurate…

While accurate simulations of dense gas flows far from the equilibrium can be achieved by Direct Simulation adapted to the Enskog equation, the significant computational demand required for collisions appears as a major constraint. In order…

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…

Weakly-compressible particle-based discretization methods, utilized for the solution of the subsonic Navier-Stokes equation, are gaining increasing popularity in the fluid dynamics community. One of the most popular among these methods is…

We present a novel computational method for direct numerical simulations of particle-laden flows with fully-resolved particles (PR-DNS). The method is based on the recently developed Volume-Filtering Immersed Boundary method [Dave et al,…

The most rigorous physical description of non-equilibrium gas dynamics is rooted in the numerical solution of the Boltzmann equation. Yet, the large number of degrees of freedom and the wide range of both spatial and temporal scales render…