Related papers: Analysis of patch-test consistent atomistic-to-con…
We present a multiscale atomistic-to-continuum method for ionic crystals with defects. Defects often play a central role in ionic and electronic solids, not only to limit reliability, but more importantly to enable the functionalities that…
We deal with $m$-component vector-valued solutions to the Cauchy problem for linear both homogeneous and nonhomogeneous weakly coupled second order parabolic system in the layer ${\mathbb R}^{n+1}_T={\mathbb R}^n\times (0, T)$. We assume…
In this paper, we construct a semi-implicit finite difference method for the time dependent Poisson-Nernst-Planck system. Although the Poisson-Nernst-Planck system is a nonlinear system, the numerical method presented in this paper only…
In this paper, we study a second-order accurate and linear numerical scheme for the nonlocal Cahn-Hilliard equation. The scheme is established by combining a modified Crank-Nicolson approximation and the Adams-Bashforth extrapolation for…
We study a fully discrete finite element approximation of a model for unsteady flows of rate-type viscoelastic fluids with stress diffusion in two and three dimensions. The model consists of the incompressible Navier--Stokes equation for…
Researchers have employed variations of the Smoluchowski coagulation equation to model a wide variety of both organic and inorganic phenomena and with relatively few known analytical solutions, numerical solutions play an important role in…
The approximate solution of the Cauchy problem for second-order evolution equations is performed, first of all, using three-level time approximations. Such approximations are easily constructed and relatively uncomplicated to investigate…
We consider S=1/2 antiferromagnetic Heisenberg chains with alternating bonds and quenched disorder, which represents a theoretical model of the compound CuCl_{2x}Br_{2(1-x)}(\gamma-{pic})_2. Using a numerical implementation of the strong…
Theory can provide important support at all the stages of spectroscopic experiments, from planning the measurements to the interpretation of the results. Such support is particularly valuable for the challenging experiments on heavy,…
In this article, we propose a MUSCL-Hancock-type second-order scheme for the discretization of a general class of non-local conservation laws and present its convergence analysis. The main difficulty in designing a MUSCL-Hancock-type scheme…
We present a new convergent strong coupling expansion for two-level atoms in external periodic fields, free of secular terms. As a first application, we show that the coherent destruction of tunnelling is a third-order effect. We also…
We study a stationary model of doubly diffusive flows with temperature-dependent viscosity on bounded Lipschitz domains in two and three dimensions. A new well-posedness and regularity analysis of weak solutions under minimal assumptions on…
Harmonic stator-rotor coupling offers a promising approach for the interconnection of rotating subsystems in the simulation of electric machines. This paper studies the stability of discretization schemes based on harmonic coupling in the…
The search for new \emph{ab initio} models rapidly delivering accurate excited state energies and properties is one of the most active research lines of theoretical chemistry. Along with these methodological developments, the performances…
This paper presents a stable finite element approximation for the acoustic wave equation on second-order form, with perfectly matched layers (PML) at the boundaries. Energy estimates are derived for varying PML damping for both the discrete…
A second order accurate (in time) numerical scheme is proposed and analyzed for the Poisson-Nernst-Planck equation (PNP) system, reformulated as a non-constant mobility $H^{-1}$ gradient flow in the Energetic Variational Approach (EnVarA).…
We investigate the estimation of multivariate extreme models with a discrete spectral measure using spherical clustering techniques. The primary contribution involves devising a method for selecting the order, that is, the number of…
We investigate several important issues regarding the Random Batch Method (RBM) for second order interacting particle systems. We first show the uniform-in-time strong convergence for second order systems under suitable contraction…
The porous medium equation (PME) is a typical nonlinear degenerate parabolic equation. An energetic variational approach has been studied in a recent work [6], in which the trajectory equation is obtained, and a few first order accurate…
A recent tight-binding scheme provides a method for extending the results of first principles calculations to regimes involving $10^2 - 10^3$ atoms in a unit cell. The method uses an analytic set of two-center, non-orthogonal tight-binding…