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In this paper, we propose a novel and simple technique to construct effective difference schemes for solving systems of singularly perturbed convection-diffusionreaction equations, whose solutions may display boundary or interior layers. We illustrate the technique by taking the Il’in-Allen-Southwell scheme for 1-D scalar equations as a basis to derive a formally second-order scheme for 1-D coupled systems and then extend the scheme to 2-D case by employing an alternating direction approach. Numerical examples are given to demonstrate the high performance of the obtained scheme on uniform meshes as well as piecewise-uniform Shishkin meshes.

In this article, we present a second-order in time implicit-explicit (IMEX) local discontinuous Galerkin (LDG) method for computing the Cahn-Hilliard equation, which describes the phase separation phenomenon. It is well-known that the Cahn-Hilliard equation has a nonlinear stability property, i.e., the free-energy functional decreases with respect to time. The discretized Cahn-Hilliard system modeled by the IMEX LDG method can inherit the nonlinear stability of the continuous model. We apply a stabilization technique and prove unconditional energy stability of our scheme. Numerical experiments are performed to validate the analysis. Computational efficiency can be significantly enhanced by using this IMEX LDG method with a large time step.

Full spectrum of a large sparse $\top$-palindromic quadratic eigenvalue problem ($\top$-PQEP) is considered arguably for the first time in this article. Such a problem is posed by calculation of surface Green's functions (SGFs) of mesoscopic transistors with a tremendous non-periodic cross-section. For this problem, general purpose eigensolvers are not efficient, nor is advisable to resort to the decimation method \etc to obtain the Wiener-Hopf factorization. After reviewing some rigorous understanding of SGF calculation from the perspective of $\top$-PQEP and nonlinear matrix equation, we present our new approach to this problem. In a nutshell, the unit disk where the spectrum of interest lies is broken down adaptively into pieces small enough that they each can be locally tackled by the generalized $\top$-skew-Hamiltonian implicitly restarted shift-and-invert Arnoldi (G$\top$SHIRA) algorithm with suitable shifts and other parameters, and the eigenvalues missed by this divide-and-conquer strategy can be recovered thanks to the accurate estimation provided by our newly developed scheme. Notably the novel non-equivalence deflation is proposed to avoid as much as possible duplication of nearby known eigenvalues when a new shift of G$\top$SHIRA is determined. We demonstrate our new approach by calculating the SGF of a realistic nanowire whose unit cell is described by a matrix of size $4000\times 4000$ at the density functional tight binding level, corresponding to a $8\times 8\; \mbox{nm}^{2}$ cross-section. We believe that quantum transport simulation of realistic nano-devices in the mesoscopic regime will greatly benefit from this work.

In this paper, we propose a structured bisection method with adaptive randomized sampling for finding selected or all of the eigenvalues of certain real symmetric matrices A. For A with a low-rank property, we construct a hierarchically semiseparable (HSS) approximation and show how to quickly evaluate and update its inertia in the bisection method. Unlike some existing randomized HSS constructions, the methods here do not require the knowledge of the off-diagonal (numerical) ranks in advance. Moreover, for A with a weak rank property or slowly decaying off-diagonal singular values, we show an idea for aggressive low-rank inertia evaluation, which means that a compact HSS approximation can preserve the inertia for certain shifts. This is analytically justified for a special case, and numerically shown for more general ones. A generalized LDL factorization of the HSS approximation is then designed for the fast evaluation of the inertia. A significant advantage over standard LDL factorizations is that the HSS LDL factorization (and thus the inertia) of A − sI can be quickly updated with multiple shifts s in bisection. The factorization with each new shift can reuse about 60% of the work. As an important application, the structured eigensolver can be applied to symmetric Toeplitz matrices, and the cost to find one eigenvalue is nearly linear in the order of the matrix. The numerical examples demonstrate the efficiency and the accuracy of our methods, especially the benefit of low-rank inertia evaluations. The ideas and methods can be potentially adapted to other HSS computations where shifts are involved and to more problems without a significant low-rank property.