The processes studied by nuclear engineers generally include coupled physics phenomena (Thermal-Hydraulics, Neutronics, Material Mechanics, etc.) and modeling such multiphysics processes numerically can be computationally intensive. A way to reduce the computational burden is to use spatial meshes that are optimally suited for a specific solution; such meshes are obtained through a process known as Adaptive Mesh Refinement (AMR). AMR can be especially useful for modeling multiphysics phenomena by allowing each solution component to be computed on an independent mesh (Multimesh AMR). Using AMR on time dependent problems requires the spatial mesh to change in time as the solution changes in time. Current algorithms presented in the literature address this concern by adapting the spatial mesh at every time step, which can be inefficient. This Thesis proposes an algorithm for saving computational resources by using a spatially adapted mesh for multiple time steps, and only adapting the spatial mesh when the solution has changed significantly. This Thesis explores the mechanisms used to determine when and where to spatially adapt for time dependent, coupled physics problems. The algorithm is implemented using the Deal.ii fiinite element library [1, 2], in 2D and 3D, and is tested on a coupled neutronics and heat conduction problem in 2D. The algorithm is shown to perform better than a uniformly refined static mesh and, in some cases, a mesh that is spatially adapted at every time step.

Numerical simulations of atmospheric and oceanic flows are fundamentally limited by a lack of model resolution. This thesis describes the application of unstructured mesh finite element methods to geophysical fluid dynamics simulations. These methods permit the mesh resolution to be concentrated in regions of relatively increased dynamical importance. Dynamic mesh adaptivity can further be used to maintain an optimised mesh even as the flow develops. Hence unstructured dynamic mesh adaptive methods have the potential to enable efficient simulations of high Reynolds number flows in complex geometries. In this thesis, the thermally driven rotating annulus is used to test these numerical methods. This system is a classic laboratory scale analogue for large scale geophysical flows. The thermally driven rotating annulus has a long history of experimental and numerical research, and hence it is ideally suited for the validation of new numerical methods. For geophysical systems there is a leading order balance between the Coriolis and buoyancy accelerations and the pressure gradient acceleration: geostrophic and hydrostatic balance. It is essential that any numerical model for these systems is able to represent these balances accurately. In this thesis a balanced pressure decomposition method is described, whereby the pressure is decomposed into a ``balanced'' component associated with the Coriolis and buoyancy accelerations, and a ``residual'' component associated with other forcings and that enforces incompressibility. It is demonstrated that this method can be used to enable a more accurate representation of geostrophic and hydrostatic balance in finite element modelling. Furthermore, when applying dynamic mesh adaptivity, there is a further potential for imbalance injection by the mesh optimisation procedure. This issue is tested in the context of shallow-water ocean modelling. For the linearised system on an $f$-plane, and with a steady balance permitting numerical discretisation, an interpolant is formulated that guarantees that a steady and balanced state remains steady and in balance after interpolation onto an arbitrary target mesh. The application of unstructured dynamic mesh adaptive methods to the thermally driven rotating annulus is presented. Fixed structured mesh finite element simulations are conducted, and compared against a finite difference model and against experiment. Further dynamic mesh adaptive simulations are then conducted, and compared against the structured mesh simulations. These tests are used to identify weaknesses in the application of dynamic mesh adaptivity to geophysical systems. The simulations are extended to a more challenging system: the thermally driven rotating annulus at high Taylor number and with sloping base and lid topography. Analysis of the high Taylor number simulations reveals a direct energy transfer from the eddies to the mean flow, confirming the results of previous experimental work.

<p>This dissertation addresses interface problems simulated with the finite element method (FEM) with mesh adaptivity. More specifically, we concentrate on the strategies that adaptively modify the mesh and the associated data transfer issues. </p><p>In finite element simulations there often arises the need to change the mesh and continue the simulation on a new mesh. Analysts encounter such an issue when they adaptively refine the mesh to reduce the computational cost, smooth distorted elements to improve system conditioning, or introduce new surfaces and change the domain in simulations of fracture problems. In such circumstances, the transfer of data from the old mesh to the new one is of crucial importance, especially for nonlinear problems. We are concerned in this work with contact problems with adaptive re-meshing and fracture problems modeled with the eXtended finite element method (X-FEM). For the former ones, the transfer of surface data is built upon the technique of parallel transport, and the error of such a transfer strategy is investigated through classic benchmark tests. A transfer scheme based on a least squares problem is also proposed to transfer the bulk data when nearly incompressible hyperelastic materials are employed. For the latter type of problems, we facilitate the transfer of internal variables by making partial elements utilize the same quadrature points from the uncut parent elements and meanwhile adjusting the quadrature weights via the solution of moment fitting equations. The proposed scheme helps avoid the complicated remapping procedure of internal variables between two different sets of quadrature points. A number of numerical examples are presented to demonstrate the robustness and accuracy of our proposed approaches.</p><p>Another renowned technique to simulate fracture problems is based upon the phase-field formulation, where a set of coupled mechanics and phase-field equations are solved via FEM without modeling crack geometries. However, losing the ability to model distinct surfaces in the phase-field formulation has drawbacks, such as difficulties simulating contact on crack surfaces and poorly-conditioned stiffness matrices. On the other hand, using the pure X-FEM in fracture simulations mandates the calculation of the direction and increment of crack surfaces at each step, introducing intricacies of tracing crack evolution. Thus, we propose combining phase-field and X-FEM approaches to utilize their individual benefits based on a novel medial-axis algorithm. Consequently, we can still capture complex crack geometries while having crack surfaces explicitly modeled by modifying the mesh with the X-FEM.</p> / Dissertation

Le phénomène de condensation d’un gaz de bosons lorsqu’il est refroidi à zéro degrés Kelvin futdécrit par Einstein en 1925 en s’appuyant sur des travaux de Bose. Depuis lors, de nombreux physiciens,mathématiciens et numériciens se sont intéressés au condensat de Bose-Einstein et à son caractère superfluide. Nous proposons dans cette étude des méthodes numériques ainsi qu’un code informatique pour la simulation d’un condensat de Bose-Einstein en rotation. Le principal modèle mathématique décrivant ce phénomène physique est une équation de Schrödinger présentant une non-linéarité cubique,découverte en 1961 : l’équation de Gross-Pitaevskii (GP). En nous appuyant sur le logiciel FreeFem++,nous nous servons d’une discrétisation spatiale en éléments-finis pour résoudre numériquement cette équation. Une méthode d’adaptation du maillage à la solution et l’utilisation d’éléments-finis d’ordre deux nous permet de résoudre finement le problème et d’explorer des configurations complexes en deux ou trois dimensions d’espace. Pour sa version stationnaire, nous avons développé une méthode de gradient de Sobolev ou une méthode de point intérieur implémentée dans la librairie Ipopt. Pour sa version instationnaire, nous utilisons une méthode de Time-Splitting combinée à un schéma de Crank-Nicolson ou une méthode de relaxation. Afin d’étudier la stabilité dynamique et thermodynamique d’un état stationnaire, le modèle de Bogoliubov-de Gennes propose une linéarisation de l’équation de Gross-Pitaevskii autour de cet état. Nous avons élaboré une méthode permettant de résoudre ce système aux valeurs et vecteurs propres, basée sur un algorithme de Newton ainsi que sur la méthode d’Arnoldi implémentée dans la librairie Arpack. / The phenomenon of condensation of a boson gas when cooled to zero degrees Kelvin was described by Einstein in 1925 based on work by Bose. Since then, many physicists, mathematicians and digitizers have been interested in the Bose-Einstein condensate and its superfluidity. We propose in this study numerical methods as well as a computer code for the simulation of a rotating Bose-Einstein condensate.The main mathematical model describing this phenomenon is a Schrödinger equation with a cubic nonlinearity, discovered in 1961: the Gross-Pitaevskii (GP) equation. By using the software FreeFem++ and a finite elements spatial discretization we solve this equation numerically. The mesh adaptation to the solution and the use of finite elements of order two allow us to solve the problem finely and to explore complex configurations in two or three dimensions of space. For its stationary version, we have developed a Sobolev gradient method or an internal point method implemented in the Ipopt library. .For its unsteady version, we use a Time-Splitting method combined with a Crank-Nicolson scheme ora relaxation method. In order to study the dynamic and thermodynamic stability of a stationary state,the Bogoliubov-de Gennes model proposes a linearization of the Gross-Pitaevskii equation around this state. We have developed a method to solve this eigenvalues and eigenvector system, based on a Newton algorithm as well as the Arnoldi method implemented in the Arpack library.

Nous développons dans ce travail de thèse un outil de simulation numérique pour les matériaux à changement de phase (MCP), en tenant compte du phénomène de convection naturelle dans la phase liquide, pour des configurations en deux et trois dimensions. Les équations de Navier-Stokes incompressible avec le modèle de Boussinesq pour la prise en compte des forces de flottabilité liées aux effets thermiques, couplées avec une formulation de l’équation d’énergie suivant la méthode d’enthalpie, sont résolues par une méthode d’éléments finis adaptatifs. Une approche mono-domaine, consistant à résoudre les mêmes systèmes d’équations dans les phases solide et liquide, est utilisée. La vitesse est ramenée à zéro dans la phase solide, en introduisant un terme de pénalisation dans l’équation de quantité de mouvement, suivant le modèle de Carman-Kozeny, consistant à freiner la vitesse à travers un milieu poreux. Une discrétisation spatiale des équations utilisant des éléments finis de Taylor-Hood, éléments finis P2 pour la vitesse et éléments finis P1 pour la pression, est appliquée, avec un schéma d’intégration en temps implicite d’ordre deux (GEAR). Le système d’équations non-linéaires est résolu par un algorithme de Newton. Les méthodes numériques sont implémentées avec le logiciel libre FreeFem++ (www.freefem.org), disponible pour tout système d’exploitation. Les programmes sont distribués sous forme de logiciel libre, sous la forme d’une forme de toolbox simple d’utilisation, permettant à l’utilisateur de rajouter d’autres configurations numériques pour des problèmes avecchangement de phase. Nous présentons dans ce manuscrit des cas de validation du code de calcul, en simulant des cas tests bien connus, présentés par ordre de difficulté croissant : convection naturelle de l’air, fusion d’un MCP, le cycle complet fusion-solidification, chauffage par le bas d’un MCP, et enfin, la solidification de l’eau. / In this thesis we develop a numerical simulation tool for computing two and three-dimensional liquid-solid phase-change systems involving natural convection. It consists of solving the incompressible Navier-Stokes equations with Boussinesq approximation for thermal effects combined with an enthalpy-porosity method for the phase-change modeling, using a finite elements method with mesh adaptivity. A single-domain approach is applied by solving the same set of equations over the whole domain. A Carman-Kozeny-type penalty term is added to the momentum equation to bring to zero the velocity in the solid phase through an artificial mushy region. Model equations are discretized using Galerkin triangular finite elements. Piecewise quadratic (P2) finite-elements are used for the velocity and piecewise linear (P1) for the pressure. The coupled system of equations is integrated in time using a second-order Gear scheme. Non-linearities are treated implicitly and the resulting discrete equations are solved using a Newton algorithm. The numerical method is implemented with the finite elements software FreeFem++ (www.freefem.org), available for all existing operating systems. The programs are written and distributed as an easy-to-use open-source toolbox, allowing the user to code new numerical algorithms for similar problems with phase-change. We present several validations, by simulating classical benchmark cases of increasing difficulty: natural convection of air, melting of a phase-change material, a melting-solidification cycle, a basal melting of a phase-change material, and finally, a water freezing case.