In this paper, we develop and analyze discontinuous Galerkin (DG) methods to solve hyperbolic equations involving $\delta$-singularities. Negative-order norm error estimates for the accuracy of DG approximations to $\delta$-singularities are investigated. We first consider linear hyperbolic conservation laws in one space dimension with singular initial data. We prove that, by using piecewise $k$-th degree polynomials, at time $t$, the error in the $H^{-(k+2)}$ norm over the whole domain is $(k+1/2)$-th order, and the error in the $H^{-(k+1)}(\mathbb{R}\backslash\mathcal{R}_t)$ norm is $(2k+1)$-th order, where $\mathcal{R}_t$ is the pollution region due to the initial singularity with the width of order $\mathcal{O}(h^{1/2} \log (1/h))$ and $h$ is the maximum cell length. As an application of the negative-order norm error estimates, we convolve the numerical solution with a suitable kernel which is a linear combination of B-splines, to obtain $L^2$ error estimate of $(2k+1)$-th order for the post-processed solution. Moreover, we also obtain high order superconvergence error estimates for linear hyperbolic conservation laws with singular source terms by applying Duhamel's principle. Numerical examples including an acoustic equation and the nonlinear rendez-vous algorithms are given to demonstrate the good performance of DG methods for solving hyperbolic equations involving $\delta$-singularities.

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.

Two-dimensional interaction between two Taylor vortices is simulated systematically through solving the two-dimensional, unsteady compressible Navier-Stokes equations using a fifth order weighted essentially nonoscillatory finite difference scheme. The main purpose of this study is to reveal the mechanism of sound generation in two-dimensional interaction of two Taylor vortices. Based on an extensive parameter study on the evolution of the vorticity field, we classify the interaction of two Taylor vortices into four types. The first type is the interaction of two counter-rotating vortices with similar strengths. The second type is the interaction of two co-rotating vortices without merging. The third type is the merging of two co-rotating vortices. The fourth type is the interaction of two vortices with a large difference in their strengths or scales. The mechanism of sound generation is analyzed.

To avoid the order reduction when third order implicit-explicit Runge-Kutta time discretization is used together with the local discontinuous Galerkin (LDG) spatial discretization, for solving convection-diffusion problems with time-dependent Dirichlet boundary conditions, we propose a strategy of boundary treatment at each intermediate stage in this paper. The proposed strategy can achieve optimal order of accuracy by numerical verification. Also by suitably setting numerical flux on the boundary in the LDG methods, and by establishing an important relationship between the gradient and interface jump of the numerical solution with the independent numerical solution of the gradient and the given boundary conditions, we build up the unconditional stability of the corresponding scheme, in the sense that the time step is only required to be upper bounded by a suitable positive constant, which is independent of the mesh size.

Most biochemical processes involve macromolecules in solution. The corresponding electrostatics is of central importance for understanding their structures and functions. An accurate and efficient numerical scheme is introduced to evaluate the corresponding electrostatic potential and force by solving the governing Poisson-Boltzmann equation. This paper focuses on the following issues: (i) the point charge singularity problem, (ii) the dielectric discontinuity problem across a molecular surface, and (iii) the infinite domain problem. Green's function associated with the point charges plus a harmonic function is introduced as the zeroth order approximation to the solution to solve the point charge singularity problem. A jump condition capturing finite difference scheme is adopted to solve the discontinuity problem across molecule surfaces, where a body-fitting grid is used. The infinite domain problem is solved by mapping the outer infinite domain into a finite domain. The corresponding stiffness matrix is symmetric and positive definite, therefore, fast algorithm such as preconditioned conjugate gradient method can be applied for inner iteration. Finally, the resulting scheme is second order accurate for both the potential and its gradient.