相关论文: A Modified Poisson--Nernst--Planck Model with Excl…
We develop a simple model of ionic current through neuronal membranes as a function of membrane potential and extracellular ion concentration. The model combines a simplified Poisson-Nernst-Planck (PNP) model of ion transport through…
We build a new mathematical model of shape optimization for maximizing ionic concentration governed by the multi-physical coupling steady-state Poisson-Nernst-Planck system. Shape sensitivity analysis is performed to obtain the Eulerian…
When ions are crowded, the effect of steric repulsion between ions (which can produce oscillations in charge density profiles) becomes significant and the conventional Poisson-Boltzmann (PB) equation should be modified. Several modified PB…
In this work, we develop novel structure-preserving numerical schemes for a class of nonlinear Fokker--Planck equations with nonlocal interactions. Such equations can cover many cases of importance, such as porous medium equations with…
We report on systematic numerical study of carrier multiplication (CM) processes in spherically symmetric nanocrystal (NC) and bulk forms of PbSe and PbS representing the test bed for understanding basic aspects of CM dynamics. The adopted…
This paper presents an efficient finite element iterative method for solving a nonuniform size-modified Poisson-Nernst-Planck ion channel (SMPNPIC) model, along with a SMPNPIC program package that works for an ion channel protein with a…
In this paper, we propose a Poisson-Nernst-Planck-Navier-Stokes-Cahn-Hillard (PNP-NS-CH)model for an electrically charged droplet suspended in a viscous fluid subjected to an external electric field. Our model incorporates spatial…
Small-scale plasticity problems are often characterised by different patterning behaviours ranging from macroscopic down to the atomistic scale. In successful models of such complex behaviour, its origin lies within non-convexity of the…
We have developed a molecular mean-field theory -- fourth-order Poisson-Nernst-Planck-Bikerman theory -- for modeling ionic and water flows in biological ion channels by treating ions and water molecules of any volume and shape with…
Numerical simulations of compressible real-fluid flows are notoriously plagued by spurious pressure oscillations arising in regions of abrupt flow variations. As a possible remedy, several numerical formulations enforce the pressure…
A new and very general technique for simulating solid-fluid suspensions is described; its most important feature is that the computational cost scales linearly with the number of particles. The method combines Newtonian dynamics of the…
Ionic microgels are soft colloidal particles, composed of crosslinked polymer networks, that ionize and swell when dispersed in a good solvent. Swelling of these permeable, compressible particles involves a balance of electrostatic,…
We derive conditions for monotonicity properties that characterize general flows of a commodity over a network, where the flow is described by potential and flow dynamics on the edges, as well as potential continuity and Kirchhoff-Neumann…
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…
This paper presents a highly robust third-order accurate finite volume weighted essentially non-oscillatory (WENO) method for special relativistic hydrodynamics on unstructured triangular meshes. We rigorously prove that the proposed method…
We consider the problem of electromigration of a sample ion (analyte) within a uniform background electrolyte when the confining channel undergoes a sudden contraction. One example of such a situation arises in microfluidics in the…
Starting from the 3D Gross-Pitaevskii equation we revisit the dimensional reduction to an effective one-dimensional wave-equation that describes the longitudinal dynamics of a Bose condensate in an axially-symmetric external potential.…
A new particle-based sampling and approximate inference method, based on electrostatics and Newton mechanics principles, is introduced with theoretical ground, algorithm design and experimental validation. This method simulates an…
We present a method aimed at sampling charge density fluctuations in Coulomb systems. The derivation follows from a functional integral representation of the partition function in terms of charge density fluctuations. Starting from the…
In this paper, we study the numerical simulations for Euler system with maximal density constraint. This model is developed in [1, 3] with the constraint introduced into the system by a singular pressure law, which causes the transition of…