A nested hybridizable discontinuous Galerkin method for computing second-harmonic generation in three-dimensional metallic nanostructures

In this paper, we develop a nested hybridizable discontinuous Galerkin (HDG) method to numerically solve the Maxwell's equations coupled with the hydrodynamic model for the conduction-band electrons in metals. By means of a static condensation to eliminate the degrees of freedom of the approximate solution defined in the elements, the HDG method yields a linear system in terms of the degrees of freedom of the approximate trace defined on the element boundaries. Furthermore, we propose to reorder these degrees of freedom so that the linear system accommodates a second static condensation to eliminate a large portion of the degrees of freedom of the approximate trace, thereby yielding a much smaller linear system. For the particular metallic structures considered in this paper, the resulting linear system obtained by means of nested static condensations is a block tridiagonal system, which can be solved efficiently. We apply the nested HDG method to compute the second harmonic generation (SHG) on a triangular coaxial periodic nanogap structure. This nonlinear optics phenomenon features rapid field variations and extreme boundary-layer structures that span multiple length scales. Numerical results show that the ability to identify structures which exhibit resonances at $\omega$ and $2\omega$ is paramount to excite the second harmonic response.Comment: 31 pages, 7 figure

Efficient Multigrid Preconditioners for Atmospheric Flow Simulations at High Aspect Ratio

Many problems in fluid modelling require the efficient solution of highly anisotropic elliptic partial differential equations (PDEs) in "flat" domains. For example, in numerical weather- and climate-prediction an elliptic PDE for the pressure correction has to be solved at every time step in a thin spherical shell representing the global atmosphere. This elliptic solve can be one of the computationally most demanding components in semi-implicit semi-Lagrangian time stepping methods which are very popular as they allow for larger model time steps and better overall performance. With increasing model resolution, algorithmically efficient and scalable algorithms are essential to run the code under tight operational time constraints. We discuss the theory and practical application of bespoke geometric multigrid preconditioners for equations of this type. The algorithms deal with the strong anisotropy in the vertical direction by using the tensor-product approach originally analysed by B\"{o}rm and Hiptmair [Numer. Algorithms, 26/3 (2001), pp. 219-234]. We extend the analysis to three dimensions under slightly weakened assumptions, and numerically demonstrate its efficiency for the solution of the elliptic PDE for the global pressure correction in atmospheric forecast models. For this we compare the performance of different multigrid preconditioners on a tensor-product grid with a semi-structured and quasi-uniform horizontal mesh and a one dimensional vertical grid. The code is implemented in the Distributed and Unified Numerics Environment (DUNE), which provides an easy-to-use and scalable environment for algorithms operating on tensor-product grids. Parallel scalability of our solvers on up to 20,480 cores is demonstrated on the HECToR supercomputer.Comment: 22 pages, 6 Figures, 2 Table

A biconjugate gradient type algorithm on massively parallel architectures

The biconjugate gradient (BCG) method is the natural generalization of the classical conjugate gradient algorithm for Hermitian positive definite matrices to general non-Hermitian linear systems. Unfortunately, the original BCG algorithm is susceptible to possible breakdowns and numerical instabilities. Recently, Freund and Nachtigal have proposed a novel BCG type approach, the quasi-minimal residual method (QMR), which overcomes the problems of BCG. Here, an implementation is presented of QMR based on an s-step version of the nonsymmetric look-ahead Lanczos algorithm. The main feature of the s-step Lanczos algorithm is that, in general, all inner products, except for one, can be computed in parallel at the end of each block; this is unlike the other standard Lanczos process where inner products are generated sequentially. The resulting implementation of QMR is particularly attractive on massively parallel SIMD architectures, such as the Connection Machine

Closer to the solutions: iterative linear solvers

The solution of dense linear systems received much attention after the second world war, and by the end of the sixties, most of the problems associated with it had been solved. For a long time, Wilkinson's \The Algebraic Eigenvalue Problem" [107], other than the title suggests, became also the standard textbook for the solution of linear systems. When it became clear that partial dierential equations could be solved numerically, to a level of accuracy that was of interest for application areas (such as reservoir engineering, and reactor diusion modeling), there was a strong need for the fast solution of the discretized systems, and iterative methods became popular for these problems

Conjugate gradient type methods for linear systems with complex symmetric coefficient matrices

We consider conjugate gradient type methods for the solution of large sparse linear system Ax equals b with complex symmetric coefficient matrices A equals A(T). Such linear systems arise in important applications, such as the numerical solution of the complex Helmholtz equation. Furthermore, most complex non-Hermitian linear systems which occur in practice are actually complex symmetric. We investigate conjugate gradient type iterations which are based on a variant of the nonsymmetric Lanczos algorithm for complex symmetric matrices. We propose a new approach with iterates defined by a quasi-minimal residual property. The resulting algorithm presents several advantages over the standard biconjugate gradient method. We also include some remarks on the obvious approach to general complex linear systems by solving equivalent real linear systems for the real and imaginary parts of x. Finally, numerical experiments for linear systems arising from the complex Helmholtz equation are reported