In recent years, the discontinuous Galerkin (DG) method has been successfully applied to solving hyperbolic conservation laws. Due to its compactness, high order accuracy, and versatility, the DG method has been extensively applied to convection-diffusion problems. In this dissertation, a numerical package, texttt{PHORCE}, is introduced to solve a number of convection-diffusion problems in neutral fluids and plasmas. Unstructured grids are used in order to randomize grid errors, which is especially important for complex geometries. texttt{PHORCE} is written in texttt{C++} and fully parallelized using the texttt{MPI} library. Memory optimization has been considered in this work to achieve improved efficiency. DG algorithms for hyperbolic terms are well studied. However, an accurate and efficient diffusion solver still constitutes ongoing research, especially for a nodal representation of the discontinuous Galerkin (NDG) method. An affine reconstructed discontinuous Galerkin (aRDG) algorithm is developed in this work to solve the diffusive operator using an unstructured NDG method. Unlike other reconstructed/recovery algorithms, all computations can be performed on a reference domain, which promotes efficiency in computation and storage. In addition, to the best of the authors' knowledge, this is the first practical guideline that has been proposed for applying the reconstruction algorithm on a nodal discontinuous Galerkin method. TVB type and WENO type limiters are also studied to deal with numerical oscillations in regions with strong physical gradients in state variables. A high-order positivity-preserving limiter is also extended in this work to prevent negative densities and pressure. A new interface tracking method, mass of fluid (MOF), along with its bound limiter has been proposed in this work to compute the mass fractions of different fluids over time. Hydrodynamic models, such as Euler and Navier-Stokes equations, and plasma models, such as ideal-magnetohydrodynamics (MHD) and two-fluid plasma equations, are studied and benchmarked with various applications using this DG framework. Numerical computations of Rayleigh-Taylor instability growth with experimentally relevant parameters are performed using hydrodynamic and MHD models on planar and radially converging domains. Discussions of the suppression mechanisms of Rayleigh-Taylor instabilities due to magnetic fields, viscosity, resistivity, and thermal conductivity are also included. This work was partially supported by the US Department of Energy under grant number DE-SC0016515. The author acknowledges Advanced Research Computing at Virginia Tech for providing computational resources and technical support that have contributed to the results reported within this work. URL: http://www.arc.vt.edu / Doctor of Philosophy / High-energy density (HED) plasma science is an important area in studying astrophysical phenomena as well as laboratory phenomena such as those applicable to inertial confinement fusion (ICF). ICF plasmas undergo radial compression, with an aim of achieving fusion ignition, and are subject to a number of hydrodynamic instabilities that can significantly alter the implosion and prevent sufficient fusion reactions. An understanding of these instabilities and their mitigation mechanisms is important allow for a stable implosion in ICF experiments. This work aims to provide a high order accurate and robust numerical framework that can be used to study these instabilities through simulations. The first half of this work aims to provide a detailed description of the numerical framework, texttt{PHORCE}. texttt{PHORCE} is a high order numerical package that can be used in solving convection-diffusion problems in neutral fluids and plasmas. Outstanding challenges exist in simulating high energy density (HED) hydrodynamics, where very large gradients exist in density, temperature, and transport coefficients (such as viscosity), and numerical instabilities arise from these region if there is no intervention. These instabilities may lead to inaccurate results or cause simulations to fail, especially for high-order numerical methods. Substantial work has been done in texttt{PHORCE} to improve its robustness in dealing with numerical instabilities. This includes the implementation and design of several high-order limiters. An novel algorithm is also proposed in this work to solve the diffusion term accurately and efficiently, which further enriches the physics that texttt{PHORCE} can investigate. The second half of this work involves rigorous benchmarks and experimentally relevant simulations of hydrodynamic instabilities. Both advection and diffusion solvers are well verified through convergence studies. Hydrodynamic and plasma models implemented are also validated against results in existing literature. Rayleigh-Taylor instability growth with experimentally relevant parameters are performed on both planar and radially converging domains. Although this work is motivated by physics in HED hydrodynamics, the emphasis is placed on numerical models that are generally applicable across a wide variety of fields and disciplines.

A careful study of plasma-material interactions is essential to understand and improve the operation of devices where plasma contacts a wall such as plasma thrusters, fusion devices, spacecraft-environment interactions, to name a few. This work aims to advance our understanding of fundamental plasma processes pertaining to plasma-material interactions, sheath physics, and kinetic instabilities through theory and novel numerical simulations. Key contributions of this work include (i) novel continuum kinetic algorithms with novel boundary conditions that directly discretize the Vlasov/Boltzmann equation using the discontinuous Galerkin method, (ii) fundamental studies of plasma sheath physics with collisions, ionization, and physics-based wall emission, and (iii) theoretical and numerical studies of the linear growth and nonlinear saturation of the kinetic Weibel instability, including its role in plasma sheaths. The continuum kinetic algorithm has been shown to compare well with theoretical predictions of Landau damping of Langmuir waves and the two-stream instability. Benchmarks are also performed using the electromagnetic Weibel instability and excellent agreement is found between theory and simulation. The role of the electric field is significant during nonlinear saturation of the Weibel instability, something that was not noted in previous studies of the Weibel instability. For some plasma parameters, the electric field energy can approach magnitudes of the magnetic field energy during the nonlinear phase of the Weibel instability. A significant focus is put on understanding plasma sheath physics which is essential for studying plasma-material interactions. Initial simulations are performed using a baseline collisionless kinetic model to match classical sheath theory and the Bohm criterion. Following this, a collision operator and volumetric physics-based source terms are introduced and effects of heat flux are briefly discussed. Novel boundary conditions are developed and included in a general manner with the continuum kinetic algorithm for bounded plasma simulations. A physics-based wall emission model based on first principles from quantum mechanics is self-consistently implemented and demonstrated to significantly impact sheath physics. These are the first continuum kinetic simulations using self-consistent, wall emission boundary conditions with broad applicability across a variety of regimes. / Ph. D. / An understanding of plasma physics is vital for problems on a wide range of scales: from large astrophysical scales relevant to the formation of intergalactic magnetic fields, to scales relevant to solar wind and space weather, which poses a significant risk to Earth’s power grid, to design of fusion devices, which have the potential to meet terrestrial energy needs perpetually, and electric space propulsion for human deep space exploration. This work aims to further our fundamental understanding of plasma dynamics for applications with bounded plasmas. A comprehensive understanding of theory coupled with high-fidelity numerical simulations of fundamental plasma processes is necessary, this then can be used to improve improve the operation of plasma devices. There are two main thrusts of this work. The first thrust involves advancing the state-of-the-art in numerical modeling. Presently, numerical simulations in plasma physics are typically performed either using kinetic models such as particle-in-cell, where individual particles are tracked through a phase-space grid, or using fluid models, where reductions are performed from kinetic physics to arrive at continuum models that can be solved using well-developed numerical methods. The novelty of the numerical modeling is the ability to perform a complete kinetic calculation using a continuum description and evolving a complete distribution function in phase-space, thus resolving kinetic physics with continuum numerics. The second thrust, which is the main focus of this work, aims to advance our fundamental understanding of plasma-wall interactions as applicable to real engineering problems. The continuum kinetic numerical simulations are used to study plasma-material interactions and their effects on plasma sheaths. Plasma sheaths are regions of positive space charge formed everywhere that a plasma comes into contact with a solid surface; the charge inequality is created because mobile electrons can quickly exit the domain. A local electric field is self-consistently created which accelerates ions and retards electrons so the ion and electron fluxes are equalized. Even though sheath physics occurs on micro-scales, sheaths can have global consequences. The electric field accelerates ions towards the wall which can cause erosion of the material. Another consequence of plasma-wall interaction is the emission of electrons. Emitted electrons are accelerated back into the domain and can contribute to anomalous transport. The novel numerical method coupled with a unique implementation of electron emission from the wall is used to study plasma-wall interactions. While motivated by Hall thrusters, the applicability of the algorithms developed here extends to a number of other disciplines such as semiconductors, fusion research, and spacecraft-environment interactions.

We consider a family of variational time discretizations that generalizes discontinuous Galerkin (dG) and continuous Galerkin-Petrov (cGP) methods. In addition to variational conditions the methods also contain collocation conditions in the time mesh points. The single family members are characterized by two parameters that represent the local polynomial ansatz order and the number of non-variational conditions, which is also related to the global temporal regularity of the numerical solution. Moreover, with respect to Dahlquist’s stability problem the variational time discretization (VTD) methods either share their stability properties with the dG or the cGP method and, hence, are at least A-stable. With this thesis, we present the first comprehensive theoretical study of the family of VTD methods in the context of non-stiff and stiff initial value problems as well as, in combination with a finite element method for spatial approximation, in the context of parabolic problems. Here, we mainly focus on the error analysis for the discretizations. More concrete, for initial value problems the pointwise error is bounded, while for parabolic problems we rather derive error estimates in various typical integral-based (semi-)norms. Furthermore, we show superconvergence results in the time mesh points. In addition, some important concepts and key properties of the VTD methods are discussed and often exploited in the error analysis. These include, in particular, the associated quadrature formulas, a beneficial postprocessing, the idea of cascadic interpolation, connections between the different VTD schemes, and connections to other classes of methods (collocation methods, Runge-Kutta-like methods). Numerical experiments for simple academic test examples are used to highlight various properties of the methods and to verify the optimality of the proven convergence orders.:List of Symbols and Abbreviations Introduction I Variational Time Discretization Methods for Initial Value Problems 1 Formulation, Analysis for Non-Stiff Systems, and Further Properties 1.1 Formulation of the methods 1.1.1 Global formulation 1.1.2 Another formulation 1.2 Existence, uniqueness, and error estimates 1.2.1 Unique solvability 1.2.2 Pointwise error estimates 1.2.3 Superconvergence in time mesh points 1.2.4 Numerical results 1.3 Associated quadrature formulas and their advantages 1.3.1 Special quadrature formulas 1.3.2 Postprocessing 1.3.3 Connections to collocation methods 1.3.4 Shortcut to error estimates 1.3.5 Numerical results 1.4 Results for affine linear problems 1.4.1 A slight modification of the method 1.4.2 Postprocessing for the modified method 1.4.3 Interpolation cascade 1.4.4 Derivatives of solutions 1.4.5 Numerical results 2 Error Analysis for Stiff Systems 2.1 Runge-Kutta-like discretization framework 2.1.1 Connection between collocation and Runge-Kutta methods and its extension 2.1.2 A Runge-Kutta-like scheme 2.1.3 Existence and uniqueness 2.1.4 Stability properties 2.2 VTD methods as Runge-Kutta-like discretizations 2.2.1 Block structure of A VTD 2.2.2 Eigenvalue structure of A VTD 2.2.3 Solvability and stability 2.3 (Stiff) Error analysis 2.3.1 Recursion scheme for the global error 2.3.2 Error estimates 2.3.3 Numerical results II Variational Time Discretization Methods for Parabolic Problems 3 Introduction to Parabolic Problems 3.1 Regularity of solutions 3.2 Semi-discretization in space 3.2.1 Reformulation as ode system 3.2.2 Differentiability with respect to time 3.2.3 Error estimates for the semi-discrete approximation 3.3 Full discretization in space and time 3.3.1 Formulation of the methods 3.3.2 Reformulation and solvability 4 Error Analysis for VTD Methods 4.1 Error estimates for the l th derivative 4.1.1 Projection operators 4.1.2 Global L2-error in the H-norm 4.1.3 Global L2-error in the V-norm 4.1.4 Global (locally weighted) L2-error of the time derivative in the H-norm 4.1.5 Pointwise error in the H-norm 4.1.6 Supercloseness and its consequences 4.2 Error estimates in the time (mesh) points 4.2.1 Exploiting the collocation conditions 4.2.2 What about superconvergence!? 4.2.3 Satisfactory order convergence avoiding superconvergence 4.3 Final error estimate 4.4 Numerical results Summary and Outlook Appendix A Miscellaneous Results A.1 Discrete Gronwall inequality A.2 Something about Jacobi-polynomials B Abstract Projection Operators for Banach Space-Valued Functions B.1 Abstract definition and commutation properties B.2 Projection error estimates B.3 Literature references on basics of Banach space-valued functions C Operators for Interpolation and Projection in Time C.1 Interpolation operators C.2 Projection operators C.3 Some commutation properties C.4 Some stability results D Norm Equivalences for Hilbert Space-Valued Polynomials D.1 Norm equivalence used for the cGP-like case D.2 Norm equivalence used for final error estimate Bibliography

This research is mainly focused on the development of the adaptive Cartesian grid methods for compressibl  e flow. At first, the ghost cell method and its applications for inviscid compressible flow on adaptive tree Cartesian grid are developed. The proposed method is successfully used to evaluate various inviscid compressible flows around complex bodies. The mass conservation of the method is also studied by numerical analysis. The extension to three-dimensional flow is presented. Then, an h-adaptive Runge–Kutta discontinuous Galerkin (RKDG) method is presented in detail for the development of high accuracy numerical method under Cartesian grid. This method combined with the ghost cell immersed boundary method is also validated by well documented test problems involving both steady and unsteady compressible flows over complex bodies in a wide range of Mach numbers. In addition, in order to suppress the failure of preserving positivity of density or pressure, which may cause blow-ups of the high order numerical algorithms, a positivity-preserving limiter technique coupled with h-adaptive RKDG method is developed. Such a method has been successfully implemented to study flows with the large Mach number, strong shock/obstacle interactions and shock diffraction. The extension of the method to viscous flow under the adaptive Cartesian grid with hybrid overlapping bodyfitted grid is developed. The method is validated by benchmark problems and has been successfully implemented to study airfoil with ice accretion. Finally, based on an open source code, the detached eddy simulation (DES) is developed for massive separation flow, and it is used to perform the research on aerodynamic performance analysis over the wing with ice accretion.

In this thesis we consider two great challenges in computer simulations of partial differential equations: multiscale data, varying over multiple scales in space and time, and data uncertainty, due to lack of or inexact measurements. We develop a multiscale method based on a coarse scale correction, using localized fine scale computations. We prove that the error in the solution produced by the multiscale method decays independently of the fine scale variation in the data or the computational domain. We consider the following aspects of multiscale methods: continuous and discontinuous underlying numerical methods, adaptivity, convection-diffusion problems, Petrov-Galerkin formulation, and complex geometries. For uncertainty quantification problems we consider the estimation of p-quantiles and failure probability. We use spatial a posteriori error estimates to develop and improve variance reduction techniques for Monte Carlo methods. We improve standard Monte Carlo methods for computing p-quantiles and multilevel Monte Carlo methods for computing failure probability.

In the present work we implemented parallel version of a computational fluid dynamics code. This code is based on Discontinuous Galerkin Method (DGM), which is due to its favourable properties suitable for parallelization. In the work we describe the Navier-Stokes equations and their discretization using DGM. We explain the advantages of usage of the DGM and formulate the serial algorithm. Next we focus on the parallel implementation of the algorithm and several particular issues connected to the parallelization. We present the numerical experiments showing the efficiency of the parallel code in the last chapter.

This thesis is concerned on the simulation of wet steam flow using discontinuous Galerkin method. Wet steam flow equations consist of Naviere-Stokes equations for compressible flow and Hill's equations for condensation of water vapor. The first part of this thesis describes the mathematical formulation of wet steam model and the derivation of Hill's equations. The model equations are discretized with the aid of discontinuous Galerkin method and backward difference formula which leads to implicit scheme represented by nonlinear algebraic system. This system is solved using Newton-like method. The derived scheme was implemented in program ADGFEM which is used for solving non-stationary convective-diffusive problems. The numerical results are presented in the last part of this thesis. 1

L'objectif général de la thèse est la simulation numérique des mouvements forts du sol dûs aux séismes. Les déformations importantes du sol engendrent des comportements nonlinéaires dans les couches superficielles. L'apport principal de la thèse est la prise en compte de la nonlinéarité des milieux dans un contexte éléments finis Galerkin discontinus. Différentes lois de comportement sont implémentées et analysées. Le cas particulier du modèle élastoplastique de Masing-Prandtl-Ishlinskii-Iwan (MPII) est approfondi. Cette étude est divisée en deux parties. Une première qui vise à poser la structure du problème en présentant les équations et modèles utilisés pour décrire les mouvements du sol. Dans cette partie nous présentons également la méthode d’approximation spatiale Galerkin Discontinue ainsi que les différents schémas temporels que nous avons considérés. Une attention particulière est portée sur la complexité algorithmique du modèle nonlinéaire élastoplastique MPII en vue de réduire le temps de calcul des simulations. La deuxième partie est dédiée aux applications numériques. Ces applications sont réparties en trois catégories distinctes. 1) Nous nous intéressons toutd’abord à la configuration unidimensionnelle où une seule onde de cisaillement est propagée. Dans ce contexte, un flux numérique décentré est établi et des applications aux cas nonlinéaire élastique et nonlinéaire élastoplastique sont étudiées. Une solution analytique concernant le cas nonlinéaire élastique est proposée, ce qui permet de réaliser une étude numérique de convergence. 2) Le problème unidimensionnel étendu aux trois composantes du mouvement est étudié et utilisé comme un premier pas vers le 3D compte tenu du couplage entre les ondes de cisaillement et de compression. Nous nous intéressons ici à des signaux synthétiques et réels. L’application d’une méthode permettant de réduire significativement le temps de calcul du modèle élastoplastique est détaillée. 3) Une configuration tridimensionnelle est examinée. Après différentes applications de vérification en milieu linéaire, deux cas d’étude élastoplastique sont analysés. Une première sur un mode propre d’un cube puis une seconde sur un milieu plus réaliste composé d’un bassin hémisphérique à couches sédimentaires ayant un comportement élastoplastique / The general objective of this thesis is the numerical simulation of strong ground motions due to earthquakes. Significant deformations of the soil generate nonlinear behaviors in the superficial layers. The main contribution of this work is to take into account the nonlinearity of the media in a discontinuous Galerkin finite elements context. Different constitutive laws are implemented and analyzed. The particular case of theMasing-Prandtl-Ishlinskii-Iwan (MPII) elastoplastic model is looked at in-depth. This study is divided into two parts. A first one that aims at defining the framework of the problem by presenting the equations and models used to describe the soil motion. In this part we also present the Galerkin Discontinuous spatial approximation method as well as the different temporal schemes that we considered. Particular attention is paid to the algorithmic complexity of the nonlinear elastoplastic MPII model in order to reduce the computation time of simulations. The second part is dedicated to numerical applications. These applications are divided into three distinct categories. 1) We are first interested in the one-dimensional configuration where a single shear wave is propagated. In this context, an upwind numerical flux is established and applications to nonlinear elastic and nonlinear elastoplastic cases are studied. Ananalytical solution concerning the nonlinear elastic case is proposed, which makes it possible to carry out a numerical study of convergence. 2) The one-dimensional problem extended to the three components of the motion is studied and used as a first step towards 3D applications considering the coupling between the shear and compression waves. We are interested here in synthetic and real input signals. The application of a method that significantly reduces the calculation time of the elastoplastic model

Cette thèse propose l’étude d’une méthode numérique permettant de simuler un plasma. On considère un ensemble de particules, dont le mouvement est régi par l’équation de Vlasov, et qui est sensible aux forces électromagnétiques, qui proviennent des équations de Maxwell. La résolution numérique des équations de Vlasov-Maxwell est réalisée par une méthode Particle In Cell (PIC). La résolution des équations de Maxwell nécessite un maillage suffisamment fin afin de modéliser correctement les problémes multi-échelles que nous souhaitons traiter. Cependant, mailler finement tout le domaine de calcul a un coût. La nouveauté de cette thèse est de proposer un solveur PIC sur des maillages cartésiens localement raffinés, des maillages non conformes, afin de garantir la bonne modélisation du phénomène physique et d’éviter une trop forte pénalisation des temps de calcul.Nous utilisons une méthode Galerkin Discontinue en domaine temporelle (GDDT), qui offre l’avantage d’être d'une grande flexibilité dans le choix du maillage et qui est une méthode d’ordre élevé. Un point fondamental dans l’étude des solveurs PIC concerne le respect de la conservation de la charge. Nous proposons deux approches afin de traiter cet aspect. La première concerne les méthodes utilisant un système de Maxwell augmenté, dont la nouveauté a été de les étendre aux maillages non conformes. La seconde approche repose sur une méthode originale de pré-traitement du calcul du terme source de courant. / This thesis deals with the study of a numerical method to simulate a plasma. We consider a set of particles whose displacement is governed by the Vlasov equation and which creates an electromagnetic field thanks to Maxwell equations. The numerical resolution of the Vlasov-Maxwell system is performed by a Particle In Cell (PIC) method. The resolution of Maxwell equations needs a sufficiently fine mesh to correctly simulate the multi scaled problems that we have to face. Yet, a uniform fine mesh of the whole domain has a prohibitive cost. The novelty of this thesis is a PIC solver on locally refined Cartesian meshes : non conforming meshes, to guarantee the good modeling of the physical phenomena and to avoid too large CPU time. We use the Discontinuous Galerkin in Time Domain (DGTD) method which has the advantage of a great flexibility in the choice of the mesh and which is a high order method. A fundamental point in the study of PIC solvers is the respect of the charge conserving law. We propose two approaches to tackle this point. The first one deals with augmented Maxwell systems, that we have adapted to non conforming meshes. The second one deals with an original method of preprocessing of the calculation of the current source term.

Dans cette thèse, nous nous intéressons à l’amélioration des performances numériques dela méthode Galerkin Discontinu en Domaine Temporel (GDDT), afin de valoriser son emploi industrielpour des problèmes de propagation d’ondes électromagnétiques. Pour ce faire, nous cherchons à réduire lenombre d’éléments des maillages utilisés en appliquant une stratégie de h-déraffinement/p-enrichissement.Dans un premier temps, nous montrons que si ce type de stratégie permet d’améliorer significativementl’efficacité numérique des résolutions dans un cadre conforme, son extension aux maillages non-conformespeut s’accompagner de contre-performances rédhibitoires limitant fortement leur intérêt pratique. Aprèsavoir identifié que ces dernières sont causées par le traitement des termes de flux non-conformes, nousproposons une méthode originale de condensation afin de retrouver des performances avantageuses. Cellecise base sur une redéfinition des flux non-conformes à partir d’un opérateur de reconstruction de traces,permettant de recréer une conformité d’espaces, et d’un produit scalaire condensé, assurant un calculapproché efficace. La stabilité et la consistance du schéma GDDT ainsi défini sont établies sous certainesconditions portant sur ces deux quantités. Dans un deuxième temps, nous détaillons la construction desopérateurs de trace et des produits scalaires associés. Nous proposons alors des flux condensés pourplusieurs configurations non-conformes, et validons numériquement la convergence du schéma GDDT résultant.Puis, nous cherchons à concevoir un algorithme de h-déraffinement/p-enrichissement automatisé,dans le but de générer des maillages hp minimisant les coûts de calcul du schéma. Ce processus est traduitsous la forme d’un problème d’optimisation combinatoire sous plusieurs contraintes de natures trèsdiverses. Nous présentons alors un algorithme de post-maillage basé sur un parcours efficace de l’arbrede recherche des configurations admissibles, associé à un processus de déraffinement hiérarchique. Enfin,nous mettons en œuvre la chaîne de calcul développée sur plusieurs cas-tests d’intérêt industriel, etévaluons son apport en termes de performances numériques. / This thesis is devoted to improving the numerical efficiency of the Discontinuous Galerkinin Time Domain (DGDT) method, in order to enhance its suitability for industrial use. One can noticethat, in an hp-conforming context, increasing correlatively the approximation order and the mesh sizeis a powerful strategy to reduce numerical costs. However, in complex geometries, the mesh can beconstrainted by the presence of small-scale inner elements, leading to hp-nonconforming configurationswith hanging nodes. The first issue we are dealing with is related to the nonconforming fluxes involvedin these configurations, whose high computational costs can deter the use of hp-coarsening strategies.In order to recover a satisfactory performance level, an original flux-lumping technique is set up. Thistechnique relies on recasting hybrid fluxes into conforming ones, and is performed by introducing twoingredients : a reconstruction operator designed to map traces from each side of a nonconforming interfaceinto the same functional space, and a lumped scalar product granting efficient integral computations.The resulting DGTD scheme is then proved to be stable and consistent, under some assumptions on thelatter two elements. Subsequently, we develop a lumped flux construction routine, and show numericalconvergence results on basic hybrid configurations. In a second part, we implement an automated strategyaiming at generating efficient hp-nonconforming meshes, well-suited to the previous DGDT scheme. To doso, a post-meshing process is formalized into a constrained optimization problem. We then put forward aheuristic hp-coarsening algorithm, based on a hierarchical coarsening approach coupled with an efficientsearch over the feasible configuration tree. Lastly, we present several numerical examples related toelectromagnetic wave propagation problems, and evaluate computational cost improvements.