The first main focus in the present project was to analyse the boundary treatment of the linearised Korteweg-de Vries equation. The second main focus was to derive a stable numerical solution using a high-order finite difference method. Since the model involved a third derivative in space, the numerical treatment of the boundaries was highly nontrivial. To aid the boundary treatment high-order accurate first and third derivative finite difference operators were employed. The boundaries are based on the summation-by-parts (SBP) framework, thereby guaranteeing linear stability. The boundary conditions were imposed using a penalty technique. A convergence study was performed where the derived numerical solution was compared with an analytical one. Fourth order accurate Runge-Kutta was used to time-integrate the numerical approximation. Measuring the rate of convergence, q, yielded q = 4 for 4th order accurate SBP-operators and q = 5.5 for 6th order accurate SBP-operators. Thus the convergence study proved the accuracy and stability of the numerical solution derived with the SBP-methodology.

I [Mattson, Journal of Scientific Computing 51.3 (2012), s. 650–682] konstruerades partialsummeringsoperatorer för finita differensapproximationer av andraderivator med variabla koefficienter. Vi tillämpar framgångsrikt dessa operatorer på vågekvationen i två dimensioner med diskontinuerliga koefficienter, utan särskild behandling av diskontinuiteten. Närmare bestämt undersöks (i) operatorernas fel och konvergensordning relativt ”korrekt” hantering av diskontinuiteter genom blockuppdelning med kopplingstermer; (ii) ifall mycket komplicerade koefficienter orsakar instabilitet eller icke-fysikaliska fel. Vi visar att hoppet i våghastighet i simuleringen sker ett antal punkter ifrån hoppet i koefficienter, där antalet punkter beror på operatorernas ordning och storleken av hoppet i koefficienter. I (i) får dessa två faktorer plus blockets form och antalet punkter en stor påverkan på både storleken av felet, samt metodens konvergensordning som varierar från ca 1–2,5. Annars sker i både (i) och (ii) inget större icke-fysikaliskt fel eller instabilitet, vilket gör denna relativt enkla metod tillämpningsbar på komplexa verklighetsbaserade problem.

We consider diagonal-norm classical summation-by-parts (SBP) operators us-ing the simultaneous approximation term (SAT) method of imposing boundaryconditions. We derive a formula for the inverse of these SBP-SAT discretizationmatrices. This formula is then used to show that it is possible to construct a secondorder accurate SBP-SAT operator using only seven grid points.

Induced seismicity (earthquakes caused by injection or extraction of fluids in Earth's subsurface) is a major, new hazard in the United States, the Netherlands, and other countries, with vast economic consequences if not properly managed. Addressing this problem requires development of predictive simulations of how fluid-saturated solids containing frictional faults respond to fluid injection/extraction. Here we present a numerical method for linear poroelasticity with rate-and-state friction faults. A numerical method for approximating the fully coupled linear poroelastic equations is derived using the summation-by-parts-simultaneous-approximation-term (SBP-SAT) framework. Well-posedness is shown for a set of physical boundary conditions in 1D and in 2D. The SBP-SAT technique is used to discretize the governing equations and show semi-discrete stability and the correctness of the implementation is verified by rigorous convergence tests using the method of manufactured solutions, which shows that the expected convergence rates are obtained for a problem with spatially variable material parameters. Mandel's problem and a line source problem are studied, where simulation results and convergence studies show satisfactory numerical properties. Furthermore, two problem setups involving fault dynamics and slip on faults triggered by fluid injection are studied, where the simulation results show that fluid injection can trigger earthquakes, having implications for induced seismicity. In addition, the results show that the scheme used for solving the fully coupled problem, captures dynamics that would not be seen in an uncoupled model. Future improvements involve imposing Dirichlet boundary conditions using a different technique, extending the scheme to handle curvilinear coordinates and three spatial dimensions, as well as improving the high-performance code and extending the study of the fault dynamics.

Aerodynamic shape optimization and multidisciplinary optimization algorithms have the potential not only to improve conventional aircraft, but also to enable the design of novel configurations. By their very nature, these algorithms generate and analyze a large number of unique shapes, resulting in high computational costs. In order to improve their efficiency and enable their use in the early stages of the design process, a fast and robust flow solution algorithm is necessary. This thesis presents an efficient parallel Newton-Krylov-Schur flow solution algorithm for the three-dimensional Navier-Stokes equations coupled with the Spalart-Allmaras one-equation turbulence model. The algorithm employs second-order summation-by-parts (SBP) operators on multi-block structured grids with simultaneous approximation terms (SATs) to enforce block interface coupling and boundary conditions. The discrete equations are solved iteratively with an inexact-Newton method, while the linear system at each Newton iteration is solved using the flexible Krylov subspace iterative method GMRES with an approximate-Schur parallel preconditioner. The algorithm is thoroughly verified and validated, highlighting the correspondence of the current algorithm with several established flow solvers. The solution for a transonic flow over a wing on a mesh of medium density (15 million nodes) shows good agreement with experimental results. Using 128 processors, deep convergence is obtained in under 90 minutes. The solution of transonic flow over the Common Research Model wing-body geometry with grids with up to 150 million nodes exhibits the expected grid convergence behavior. This case was completed as part of the Fifth AIAA Drag Prediction Workshop, with the algorithm producing solutions that compare favourably with several widely used flow solvers. The algorithm is shown to scale well on over 6000 processors. The results demonstrate the effectiveness of the SBP-SAT spatial discretization, which can be readily extended to high order, in combination with the Newton-Krylov-Schur iterative method to produce a powerful parallel algorithm for the numerical solution of the Reynolds-averaged Navier-Stokes equations. The algorithm can efficiently solve the flow over a range of clean geometries, making it suitable for use at the core of an optimization algorithm.

Aerodynamic shape optimization and multidisciplinary optimization algorithms have the potential not only to improve conventional aircraft, but also to enable the design of novel configurations. By their very nature, these algorithms generate and analyze a large number of unique shapes, resulting in high computational costs. In order to improve their efficiency and enable their use in the early stages of the design process, a fast and robust flow solution algorithm is necessary. This thesis presents an efficient parallel Newton-Krylov-Schur flow solution algorithm for the three-dimensional Navier-Stokes equations coupled with the Spalart-Allmaras one-equation turbulence model. The algorithm employs second-order summation-by-parts (SBP) operators on multi-block structured grids with simultaneous approximation terms (SATs) to enforce block interface coupling and boundary conditions. The discrete equations are solved iteratively with an inexact-Newton method, while the linear system at each Newton iteration is solved using the flexible Krylov subspace iterative method GMRES with an approximate-Schur parallel preconditioner. The algorithm is thoroughly verified and validated, highlighting the correspondence of the current algorithm with several established flow solvers. The solution for a transonic flow over a wing on a mesh of medium density (15 million nodes) shows good agreement with experimental results. Using 128 processors, deep convergence is obtained in under 90 minutes. The solution of transonic flow over the Common Research Model wing-body geometry with grids with up to 150 million nodes exhibits the expected grid convergence behavior. This case was completed as part of the Fifth AIAA Drag Prediction Workshop, with the algorithm producing solutions that compare favourably with several widely used flow solvers. The algorithm is shown to scale well on over 6000 processors. The results demonstrate the effectiveness of the SBP-SAT spatial discretization, which can be readily extended to high order, in combination with the Newton-Krylov-Schur iterative method to produce a powerful parallel algorithm for the numerical solution of the Reynolds-averaged Navier-Stokes equations. The algorithm can efficiently solve the flow over a range of clean geometries, making it suitable for use at the core of an optimization algorithm.

In this paper the rate of convergence, speed of execution and symplectic properties of the time-integrators Leap-Frog (LF2), fourth order Runge-Kutta(RK4) and Crank-Nicholson (CN2) have been studied. This was done by solving the one-dimensional model for a particle in a box (Dirichlet-conditions). The results show that RK4 is the fastest in achieving higher tolerances, while CN2 is the fastest in achieving lower tolerances. Fourth order corrections of LF (LF4)and CN (CN4) were also studied, though these showed no improvements overLF2 and CN2. All methods were shown to exhibit symplectic behavior.

With the algorithm’s suitability for exploiting current petascale and next-generation exascale supercomputers, stable and structure-preserving properties are necessary to develop predictive computational tools. In this dissertation, summation-by-parts (SBP) operators and a new relaxation Runge–Kutta (RRK) scheme are used to construct mimetic and structure-preserving full discretization for non-reactive compressible computational fluid dynamics (CFD) and reaction-diffusion models. In the first chapter, we provide the necessary background and a literature survey that forms the basis of this dissertation. Next, we provide a short overview of entropy stability for general conservation laws. The second chapter covers the analysis of the Eulerian model for compressible and heat-conducting flows. We provide the necessary background of the new system of parabolic partial differential equation (PDE). Then, we present the entropy stability analysis of the model at the continuous level. Subsequently, using the SBP, we construct an entropy-stable discretization of any order for unstructured grids with tensor-product elements. The third chapter discusses the implementation of RRK methods. We start by reviewing the RRK scheme constructed to guarantee conservation or stability with respect to any inner-product norm. Then, we present the extension and generalization of RRK schemes to general convex functionals and their application to compressible fluid flow problems. The final chapter demonstrates the far-reaching capabilities of the SBP operators and RRK schemes presenting the development of a novel fully discrete Lyapunov stable discretization for reaction models with spatial diffusion. Finally, we conclude this dissertation with an overview of our achievements and future research directions.

This project studied two different ways of imposing boundary conditions weakly with the finite difference summation-by-parts (SBP) operators. These operators were combined with the boundary handling methods of simultaneous-approximation-terms (SAT) and the Projection to impose homogeneous Neumann and Dirichlet boundary conditions. The convergence rate of both methods was analyzed for different boundary conditions for the one-dimensional (1D) Schrödinger equation, without potential, which resulted in both methods performing similarly. A multi-block discretization was then implemented and different combinations of SBP-SAT and SBP-Projection were applied to impose inner boundary conditions of continuity between the blocks. A convergence study of the different methods of imposing the inner BC:s was conducted for the 1D Schrödinger equation without potential. The resulting convergence was the same for all methods and it was concluded that they performed similarly. Methods involving SBP-Projection had the slight advantage of faster computation time. Finally, the 1D Gross-Pitaevskii equation (GPE) and the 1D Schrödinger equation were analyzed with a step potential. The waves propagating towards the potential barrier were in both cases partially transmitted and partially reflected. The waves simulated with the Schrödinger equation dispersed, while the solitons simulated with the GPE kept their shape due to the equations reinforcing non-linear term. The bright soliton was partly transmitted and partly reflected. The dark soliton was either totally reflected or totally transmitted.

Infrasound is undetectable by the human ear and excessive exposure may be a substantial health risk. Low frequency sound propagates through walls with minimal attenuation, making it difficult to avoid. This study interprets the results from both analytical calculations and simulations of pressure waves propagating through a wall in one dimension. The wall is thin compared to the wavelength; the model implements properties of three materials commonly used in walls. The results indicate that the geometry of the wall, most importantly the small ratio between wall width and wavelength, is the prime reason for the low levels of attenuation observed in transmitted amplitudes of low frequency sounds, and that damping is negligible for infrasound. Furthermore, a one-dimensional homogeneous wall model gives rise to periodicity in the transmitted amplitude, which is not observed in experiments. Future studies should prioritize the introduction of at least one more dimension to the model, to allow for variable angles of incidence.