相关论文: Corrected Trapezoidal Rule-IBIM for linearized Poi…
The linearized collision operator of the Boltzmann equation for single species can be written as a sum of a positive multiplication operator, the collision frequency, and a compact integral operator. This classical result has more recently,…
In this work, a systematic protocol is proposed to automatically parametrize implicit solvent models with polar and nonpolar components. The proposed protocol utilizes the classical Poisson model or the Kohn-Sham density functional theory…
The immersed boundary lattice Boltzmann method (IB-LBM) has been widely used in the simulation of fluid-solid interaction and particulate flow problems, since proposed in 2004. However, it is usually a non-trivial task to retain the…
Modeling the chemical, electric, and thermal transport as well as phase transitions and the accompanying mesoscale microstructure evolution within a material in an electronic device setting involves the solution of partial differential…
For multispecies ions, we study boundary layer solutions of charge conserving Poisson-Boltzmann (CCPB) equations [50] (with a small parameter \k{o}) over a finite one-dimensional (1D) spatial domain, subjected to Robin type boundary…
Under the most common experimental conditions, the adsorption of proteins to solid surfaces is an spontaneous process that leads to a rather compact layer of randomly oriented molecules. Due to the importance of this process for the…
In this paper, we develop a domain decomposition method for the nonlinear Poisson-Boltzmann equation based on a solvent-excluded surface widely used in computational chemistry. The model relies on a nonlinear equation defined in…
Porous electrodes are widely used in electrochemical systems, where accurately determining electric potentials, particularly overpotentials, is essential for understanding electrode behavior. At the macroscopic scale, porous electrodes are…
A coherent state technique is used to generate an Interacting Boson Model (IBM) Hamiltonian energy surface that simulates a mean field energy surface. The method presented here has some significant advantages over previous work.…
Immersed boundary-lattice Boltzmann method (IB-LBM) has been widely used for simulation of particle-laden flows recently. However, it was limited to small-scale simulations with no more than O(103) particles. Here, we expand IB-LBM for…
The immersed boundary (IB) method has been used as a means to simulate fluid-membrane interactions in a wide variety of biological and engineering applications. Although the numerical convergence of the method has been empirically verified,…
The ionic Vlasov-Poisson-Boltzmann system is a fundamental model in dilute collisional plasmas. In this work, we study the compressible ionic Euler-Poisson limit of the ionic Vlasov-Poisson-Boltzmann system for the full range of cutoff…
We introduce a refined immersed boundary (IB) methodology that is better-than-first-order accurate in practice, while preserving key properties of "continuous-forcing" IB approaches that retain a singular source term in the governing…
We derive a formally simple approximate analytical solution to the Poisson-Boltzmann equation for the spherical system via a geometric mapping. Its regime of applicability in the parameter space of the spherical radius and the surface…
We present a collocated-grid framework for Direct Numerical Simulations of polydisperse particles submerged in a viscous fluid. The fluid-particle forces are coupled with the Immersed Boundary Method (IBM) while the particle-particle forces…
We develop a boundary integral equation-based numerical method to solve for the electrostatic potential in two dimensions, inside a medium with piecewise constant conductivity, where the boundary condition is given by the complete electrode…
In this paper we propose and analyze a general arbitrarily high-order modified trapezoidal rule for a class of weakly singular integrals of the forms $I = \int_{\mathbb{R}^n}\phi(x)s(x)dx$ in $n$ dimensions, where $\phi\in…
The Poisson-Boltzmann equation (PBE) models the electrostatic interactions of charged bodies such as molecules and proteins in an electrolyte solvent. The PBE is a challenging equation to solve numerically due to the presence of…
The Vlasov-Poisson system for ions is a kinetic equation for dilute, unmagnetised plasma. It describes the evolution of the ions in a plasma under the assumption that the electrons are thermalized. Consequently, the Poisson coupling for the…
Interfacial Stokes flow can be efficiently computed using the Boundary Integral Equation method. In 3D, the fluid velocity at a target point is given by a 2D surface integral over all interfaces, thus reducing the dimension of the problem.…