Related papers: A finite element solver for a thermodynamically co…
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…
A new computational method is presented for study suspensions of charged soft particles undergoing fluctuating hydrodynamic and electrostatic interactions. The proposed model is appropriate for polymers, proteins and porous particles…
This paper describes in detail the implementation of a finite element technique for solving the compressible Navier-Stokes equations that is provably robust and demonstrates excellent performance on modern computer hardware. The method is…
Accurately depicting multiphysics interactions in interfacial systems requires computational frameworks capable of reconciling geometric adaptability with strict conservation fidelity. However, traditional spatiotemporal discretisation…
This paper proposes a novel way to solve transient linear, and non-linear solid dynamics for compressible, nearly incompressible, and incompressible material in the updated Lagrangian framework for tetrahedral unstructured finite elements.…
The manner in which electrolyte solutions respond to electric fields is crucial to understanding the behavior of these systems both at, and away from, equilibrium. The present formulation of linear response theory for such systems is…
In this paper, we present a first-order finite element scheme for the viscoelastic electrohydrodynamic model. The model incorporates the Poisson-Nernst-Planck equations to describe the transport of ions and the Oldroyd-B constitutive model…
We propose an anisotropic interfacial continuum solvation (AICS) model to simulate the distinct in-plane and out-of-plane dielectric constants of liquids near solid-liquid interfaces and their spatial variations along the surface normal…
This work presents a unified fluid modeling framework for reacting flows coupled with nonthermal plasmas (NTPs). Building upon the gas-plasma kinetics solver, ChemPlasKin, and the CFD library, OpenFOAM, the integrated solver, reactPlasFOAM,…
In this paper, we consider the numerical approximation for a diffuse interface model of the two-phase incompressible inductionless magnetohydrodynamics problem. This model consists of Cahn-Hilliard equations, Navier-Stokes equations and…
This paper addresses the three concepts of \textit{ consistency, stability and convergence } in the context of compact finite volume schemes for systems of nonlinear hyperbolic conservation laws. The treatment utilizes the framework of…
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…
Under compressive creep, visco-plastic solids experiencing internal mass transfer processes have been recently proposed to accommodate singular cnoidal wave solutions, as material instabilities at the stationary wave limit. These…
This paper presents a new data-driven finite element framework that is applicable to a broad range of engineering simulation problems. In the data-driven approach, the conservation laws and boundary conditions are satisfied by means of the…
A finite element method for elliptic problems with discontinuous coefficients is presented. The discontinuity is assumed to take place along a closed smooth curve. The proposed method allows to deal with meshes that are not adapted to the…
A macroscopic model to describe the dynamics of ion transport in ion channels is the Poisson-Nernst-Planck(PNP) equations. In this paper, we develop a finite-difference method for solving PNP equations, which is second-order accurate in…
The aim of this paper is to establish convergence, properties and error bounds for the fully discrete solutions of a class of nonlinear systems of reaction-diffusion nonlocal type with moving boundaries, using the finite element method with…
We present the theory and implementation of a Poisson-Boltzmann implicit solvation model for electrolyte solutions. This model can be combined with arbitrary electronic structure methods that provide an accurate charge density of the…
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…
Fourier solvers have become efficient tools to establish structure-property relations in heterogeneous materials. Introduced as an alternative to the Finite Element (FE) method, they are based on fixed-point solutions of the…