Gradient-based aerodynamic shape optimization, based on Computational Fluid Dynamics analysis of the flow, is a method that can automatically improve designs of aircraft components. The prospect is to reduce a cost function that reflects aerodynamic performances. When the shape is described by a large number of parameters, the calculation of one gradient of the cost function is only feasible by recourse to techniques that are derived from the theory of optimal control. In order to obtain the best computational efficiency, the so called adjoint method is applied here on the complete mapping, from the parameters of design to the values of the cost function. The mapping considered here includes the Euler equations for compressible flow discretized on unstructured meshes by a median-dual finite-volume scheme, the primal-to-dual mesh transformation, the mesh deformation, and the parameterization. The results of the present research concern the detailed derivations of expressions, equations, and algorithms that are necessary to calculate the gradient of the cost function. The discrete adjoint of the Euler equations and the exact dual-to-primal transformation of the gradient have been implemented for 2D and 3D applications in the code Edge, a program of Computational Fluid Dynamics used by Swedish industries. Moreover, techniques are proposed here in the aim to further reduce the computational cost of aerodynamic shape optimization. For instance, an interpolation scheme is derived based on Radial Basis Functions that can execute the deformation of unstructured meshes faster than methods based on an elliptic equation. In order to improve the accuracy of the shape, obtained by numerical optimization, a moving mesh adaptation scheme is realized based on a variable diffusivity equation of Winslow type. This adaptation has been successfully applied on a simple case of shape optimization involving a supersonic flow. An interpolation technique has been derived based on a mollifier in order to improve the convergence of the coupled mesh-flow equations entering the adaptive scheme. The method of adjoint derived here has also been applied successfully when coupling the Euler equations with the boundary-layer and parabolized stability equations, with the aim to delay the laminar-to-turbulent transition of the flow. The delay of transition is an efficient way to reduce the drag due to viscosity at high Reynolds numbers.

Les travaux réalisés au cours de cette thèse visent à apporter une aide à la compréhension des mécanismes régissant l'évaporation des films liquides. La physique des problèmes à changement de phase avec ligne de contact est gouvernée par des mécanismes agissant au niveau de ces dernières ainsi qu'au niveau des interfaces gaz-liquide. La description géométrique des interfaces est donc un point clef dans cette étude tant d'un point de vue numérique qu'expérimental. Un outil numérique tridimensionnel de suivi d'interface infiniment fine a été créé afin d'anticiper la simulation numérique de ces problèmes. Cet algorithme repose sur une description quadratique de l'interface qui est une surface du maillage. L’ordre de convergence de cette méthode relatif à différentes caractéristiques (courbure, normale, position) de l'interface ainsi que sa qualité conservative ont été étudiés.Parallèlement à cette approche numérique, une technique expérimentale d'inversion optique a été développée. Celle-ci permet la mesure dynamique du profil d'une interface au voisinage de la ligne de contact dans le cadre de fluide très mouillant. Cette méthode, appliquée dans le cadre d'un problème de film en évaporation quasi axisymétrique a permis, dans le cadre d'une expérience simple, une première quantification des flux de chaleur et de masse échangés au niveau de la ligne de contact. / The tasks fulfilled during this study aim at providing tools for understanding the mechanisms of liquid film evaporation. Evaporation in the presence of a triple lines is ruled by physical mechanisms acting on these singularities as well as on the gas liquid interfaces. Thus, the interface description, under it numerical as experimental aspects, is a key point of this study. A numerical tridimentionnal sharp interface tracking tool has been developed to be used in further numerical simulation of the evaporation problem. In this algorithm, the interface is described as a quadratic grid surface. Its convergence orders relatively to geometrical parameters of the interface (curvature, normal, position) has been studied.In the mean time, an experimental optical inversion technique has been developed and validated. It allows a dynamic measurement of the interface shape in the vicinity of the triple line of highly wetting fluid. This method has been applied to the case of a quasi axisymetric evaporating film and provides a first quantification of the heat and mass transfers generated by the triple line region.

Micro-assembly processes suffer from some breaches due to the continuing trend towards an increase in the production capabilities as well as in the size reduction of the components manipulated. Usual manipulating schemes have reached their limit and capillary forces constitute a valuable alternative strategy.<p><p>The goal of this work is to describe the dynamics of liquid bridges in the application of micro-assembly processes. The description is obtained using the Kelvin-Voigt model, with a spring, a damper, and a mass connected in parallel, supported by numerical simulations, analytical approximations and experiments.<p><p>The works is divided into three parts. First we present important aspects of microfluidics, as well as the constitutive equations and an overview of numerical approaches used to describe fluid flow problems with moving interfaces.<p><p>The second part is devoted to the capillary rise case, intended to validate and to compare the numerical approaches to analytical laws and experimental results. The implementation of the slipping and the dynamic contact angles is discussed.<p><p>The last part focuses on the dynamics of the liquid bridge. The liquid bridge is confined between two circular and parallel plates and presents an axial symmetry. The description reveals that the stiffness depends on the surface tension and on the shape of the air/liquid interface, the damping coefficient depends on the viscosity and the volume of liquid and the equivalent mass depends on the density and the volume.<p> / Doctorat en Sciences de l'ingénieur / info:eu-repo/semantics/nonPublished

Le travail de cette thèse a pour but de fournir et valider des outils permettant d'étudier et de comprendre les phénomènes mis en jeu lors de l'injection d'un carburant dans un moteur à combustion interne, principalement axé sur l'écoulement intra-injecteur. Ces outils sont numériques et permettent de simuler la formation d'un spray. Une première partie est axée sur la modélisation 0D. Les modèles permettant de prédire des caractéristiques de spray comme son angle, sa pénétration ou encore la longueur du corps liquide, sont comparés à des données expérimentales. Les conclusions sont que la modélisation 0D permet d'obtenir de bons résultats. Par contre une meilleure connaissance de l'influence de la cavitation sur le spray, qui passe par la compréhension de l'écoulement intra-injecteur, pourrait être bénéfique pour la prédiction de ces modèles. Une seconde étude sur l'écoulement intra-injecteur est alors menée en utilisant un modèle à équation barotrope. Une validation de celui-ci est effectuée de façon à vérifier qu'il est capable de prédire correctement l'écoulement dans un injecteur. Le modèle offre de bons résultats et peut être utilisé pour l'étude suivante. Enfin, dans la dernière partie, le modèle de cavitation qui a été validé est utilisé. Une géométrie d'injecteur mono-trou est utilisée avec des pressions comparables à celles utilisées actuellement en automobile. L'étude consiste à étudier l'influence de plusieurs paramètres géométriques sur l'apparition de la cavitation. Le mouvement de l'aiguille est aussi étudié et est comparé, après avoir offert au code la possibilité de maillage mobile, à des résultats in-stationnaires pour plusieurs levées d'aiguille. / The work of this thesis aims to provide and validate tools useful to study and understand the phenomena involved in the injection of fuel, mainly focused on intra-flow injector. These tools are numeric and simulate the formation of a spray. A first part focuses on zero-dimensional modelling. Models which predict these following characteristics of spray like the spray angle, the spray penetration or the liquid length are compared with experimental data. The conclusions are that zero-dimensional modelling provides good results very quickly in some cases. Although, a better understanding of the influence of cavitation on the spray, which requires an understanding of the intra-flow injector, could be beneficial for the prediction of these models. A second study is carried out to select a model of multi-dimensional cavitation. The chosen model is a barotropic equation model. A validation of this model is then performed to ensure that it is able to predict the cavitating flow inside a nozzle. The model provides good results and can be used for the next step. Finally, in the third part, the cavitation model previously validated is used. Single-hole nozzle geometry is used with an injection pressure comparable to that used in internal combustion engines with direct injection system. The study is done to investigate the influence of several geometrical parameters on the onset of cavitation. The movement of the needle is also studied and compared, after offering to the code the possibility of moving mesh, to the results of several stationary needle lifts.

En ce qui concerne les problèmes de Dynamique des Fluides Numériques, l’adaptation du maillage est intéressante pour sa capacité à aborder la convergence asymptotique et à obtenir une prévision précise pour des flux complexes à moindre coût. La méthode d’adaptation de maillage anisotrope réduit le nombre de degrés de liberté nécessaires pour atteindre la précision d’une solution donnée, ce qui a un impact positif sur le temps de calcul. De plus, il réduit la dissipation du schéma numérique en tenant compte automatiquement de l'anisotropie des phénomènes physiques à l'intérieur du maillage. Deux approches principales existent dans la littérature. L'adaptation du maillage basée sur les caractéristiques géométriques, qui est principalement déduite d'une estimation de l'erreur d'interpolation utilisant la hessienne du senseur choisi, contrôle l'erreur d'interpolation du capteur sur l'ensemble du domaine de calcul. Une telle approche est facile à mettre en place et a un large éventail d’applications, mais elle ne prend pas en compte l’EDP considérée utilisée pour résoudre le problème. D'autre part, l'adaptation de maillage orientée fonctionnelle, qui se concentre sur une fonctionnelle scalaire, prend en compte à la fois la solution et l'EDP dans l'estimation d'erreur grâce à l'état adjoint. Mais, la conception de cette estimation d'erreur est beaucoup plus compliquée. Cette thèse présente les résultats obtenus avec différentes méthodes de Dynamique des Fluides Numériques: les solveurs de flux arbitrairement lagrangiens-eulériens (ALE) avec schémas explicites et implicites sont présentés et couplés au mouvement de maillage, l’adaptation de maillage feature-based instationnaire pour les géométries mobiles prend en compte les changements des connectivités de maillage durant toute la simulation, l'état adjoint est étendu aux problèmes de géométries mobiles et l'adaptation de maillage instationnaire orientée fonctionnelle pour les maillages mobiles est déduite d'une estimation d'erreur a priori. Plusieurs exemples numériques issus du secteur aéronautique et du domaine de sécurité civile sont considérés. / When dealing with CFD problems, mesh adaptation is interesting for its ability to approach the asymptotic convergence and to obtain an accurate prediction for complex flows at a lower cost. Anisotropic mesh adaptation method reduces the number of degrees of freedom required to reach a given solution accuracy, thus impact favorably the CPU time. Moreover, it reduces the numerical scheme dissipation by automatically taking into account the anisotropy of the physical phenomena inside the mesh. Two main approaches exist in the literature. Feature-based mesh adaptation which is mainly deduced from an interpolation error estimate using the Hessian of the chosen sensor controls the interpolation error of the sensor over the whole computational domain. Such approach is easy to set-up and has a wide range of application, but it does not take into account the considered PDE used to solve the problem. On the other hand, goal-oriented mesh adaptation, which focuses on a scalar output function, takes into consideration both the solution and the PDE in the error estimation thanks to the adjoint state. But, the design of such error estimate is much more complicated. This thesis presents the results obtained with different CFD methods : the Arbitrary Lagrangian Eulerian (ALE) flow solvers with explicit and implicit schemes are presented and coupled to the moving mesh process, the feature-based unsteady mesh adaptation for moving geometries takes into account the changes of connectivites during the whole simulation, the adjoint state is extended to moving geometries problems and goal-oriented unsteady mesh adaptation for moving meshes is derived from an a priori error estimate. Several numerical examples are considered in the aeronautics sector and the field of civil security.

Les simulations dépendant du temps sont toujours un challenge dans l'industrie, notamment à cause des problèmes posés par les géométries mobiles en termes de CPU et de précision. Cette thèse présente des contributions à certains aspects des simulations en géométrie mobile. Un algorithme de bouger de maillage fondé sur une déformation de maillage sur un grand pas de temps et des changements de connectivité (swaps) est étudié. Une méthode d'élasticité et une méthode d'interpolation directe sont comparées en 3D, démontrant l'efficacité de l'algorithme. Cet algorithme est couplé à un solver ALE, dont les schémas et l'implémentation en 3D sont décrits en détail. Une interpolation linéaire est utilisée pou traiter les swaps. Des cas de validation montrent que les swaps n'influent pas notablement sur la précision de la solution. Plusieurs examples complexes en 3D démontrent la puissance de cette approche, pour des mouvement imposés ou pour des problèmes d'Interaction Fluide-Structure. L'adaptation de maillage anisotrope a démontré son efficacité pour améliorer la précision des calculs stationnaires pour un coût raisonnable. On considère l'extension de ces méthodes aux problèmes instationnaires, en mettant à jour l'algorithme de point fixe précédent grâce à une ananlyse de l'erreur espace-temps fondée sur le modèle de maillage continu. Une parallélisation efficace permet de réaliser des simulations adaptatives instationnaires avec une précision inégalée. Cet algorithme est étendu au cas des géométries mobiles en corrigeant la métrique optimale instationnaire. Finalement, plusieurs exemples 3D de simulations adaptatives en géométries mobiles démontrent l'efficacité de l'approche. / Time dependent simulations are still a challenge for industry, notably due to problems raised by moving boundaries, both in terms of CPU cost and accuracy. This thesis presents contributions to several aspects of simulations with moving meshes. A moving-mesh algorithm based on a large deformation time step and connectivity changes (swaps) is studied. An elasticity method and an Inverse Distance Weighted interpolation method are compared on many 3D examples, demonstrating the efficiency of the algorithm in handling large geometry displacement without remeshing. This algorithm is coupled with an Arbitrary-Lagrangian-Eulerian (ALE) solver, whose schemes and implementation in 3D are described in details. A linear interpolation scheme is used to handle swaps. Validation test cases showed that the use of swaps does not impact notably the accuracy of the solution, while several other complex 3D examples demonstrate the capabilities of the approach both with imposed motion and Fluid-Structure Interaction problems. Metric-based mesh adaptation has proved its efficiency in improving the accuracy of steady simulation at a reasonable cost. We consider the extension of these methods to unsteady problems, updating the previous fixed-point algorithm thanks to a new space-time error analysis based on the continuous mesh model. An efficient p-thread parallelization enables running 3D unsteady adaptative simulations with a new level of accuracy. This algorithm is extended to moving mesh problems, notably by correcting the optimal unsteady metric. Finally several 3D examples of adaptative moving mesh simulations are exhibited, that prove our concept by improving notably the accuracy of the solution for a reasonable time cost.

Climate change is a critical global issue that continues to shape the way we understand and interact with the world around us. It is discussed more than ever before, especially in politics. To slow down the temperature rise of our planet, decreasing the amount of green house gas emissions produced by our way of living, industries, and the production of energy is necessary. Ocean Harvesting Technologies (OHT), a company from Sweden based in Blekinge, is currently developing a new iteration of renewable, wave energy converters (WEC) that they claim to be ecient from both an energy and cost perspective. A new prototype is in development where thermal and fluid characteristics inside the WEC during operation, are important aspects that need to be evaluated. This project is aimed to develop a computational simulation model of the WEC and perform simulations in order to evaluate the cooling and heating performance of the current model that is under development. The methodology used for this project was divided into three stages to streamline the work: steady-state stationary conjugate heat transfer(CHT) simulations, and transient airflow simulations with motion and compressible air, that are combined into a full-system transient CHT model for operational conditions. CAD models and delimi- tations were provided by OHT and the model was broken down, simplified and assessed to begin the work. The computational software used for the simulations in this project was STAR-CCM+ and the complete process of pre-processing, simulation setup/run and post-processing was executed using the same software. To simulate the fluid and the oper- ational motion of the WEC, the Overset mesh methodology was used, and to resolve the turbulent flow, URANS k! SST was used in the solver. The thermodynamic simulations were initially set up and simulated in two sub-models in order to speed up the method development and to get an early indication of the performance of the WEC. The first sub-simulation handled the compressible air together with the Overset mesh motion while the second simulation aimed to model the thermodynamics of the generator components, ball screw, and other solids. Since OHT is in a relatively early development phase, no experimental data could be used for validation, however, data sheets for generator com- ponents and simple handbook calculations were used to validate the simulation models performance. The sub-simulations resulted in an ecient simulation strategy and a lot of knowledge and understanding of the system performance was gained to implement in the full-system model The final outcome of this thesis work was a complete CHT model that showed the ca- pability of running several hundreds of seconds of operational time while producing a significant amount of performance data such as temperature profiles of critical parts, air pressure/temperature fluctuations, and drag losses of the complete WEC. Furthermore, the sub-simulation models can be used individually as stand-alone models in order to op- timize the system on a component level, e.g., drag losses from the generator components during motion.

[EN] The neutron diffusion equation is an approximation of the neutron transport equation that describes the neutron population in a nuclear reactor core. In particular, we will consider here VVER-type reactors which use the neutron diffusion equation discretized on hexagonal meshes. Most of the simulation codes of a nuclear power reactor use the multigroup neutron diffusion equation to describe the neutron distribution inside the reactor core.To study the stationary state of a reactor, the reactor criticality is forced in artificial way leading to a generalized differential eigenvalue problem, known as the Lambda modes equation, which is solved to obtain the dominant eigenvalues of the reactor and their corresponding eigenfunctions. To discretize this model a finite element method with h-p adaptivity is used. This method allows to use heterogeneous meshes, and allows different refinements such as the use of h-adaptive meshes, reducing the size of specific cells, and p-refinement, increasing the polynomial degree of the basic functions used in the expansions of the solution in the different cells. Once the solution for the steady state neutron distribution is obtained, it is used as initial condition for the time integration of the neutron diffusion equation. To simulate the behaviour of a nuclear power reactor it is necessary to be able to integrate the time-dependent neutron diffusion equation inside the reactor core. The spatial discretization of this equation is done using a finite element method that permits h-p refinements for different geometries. Transients involving the movement of the control rod banks have the problem known as the rod-cusping effect. Previous studies have usually approached the problem using a fixed mesh scheme defining averaged material properties and many techniques exist for the treatment of the rod cusping problem. The present work proposes the use of a moving mesh scheme that uses spatial meshes that change with the movement of the control rods avoiding the necessity of using equivalent material cross sections for the partially inserted cells. The performance of the moving mesh scheme is tested studying different benchmark problems. For reactor calculations, the accuracy of a diffusion theory solution is limited for for complex fuel assemblies or fine mesh calculations. To improve these results a method that incorporates higher-order approximations for the angular dependence, as the simplified spherical harmonics (SPN ) method must be employed. In this work an h-p Finite Element Method (FEM) is used to obtain the dominant Lambda mode associated with a configuration of a reactor core using the SPN approximation. The performance of the SPN (N= 1, 3, 5) approximations has been tested for different reactor benchmarks. / [ES] La ecuación de la difusión neutrónica es una aproximación de la ecuación del transporte de neutrones que describe la población de neutrones en el núcleo de un reactor nuclear. En particular, consideraremos reactores de tipo VVER y para simular su comportamiento se utilizará la ecuación de la difusión neutrónica para cuya discretización se hace uso de mallas hexagonales. La mayoría de los códigos de simulación de reactores nucleares utilizan aproximación multigrupo de energía de la ecuación de la difusión neutrónica para describir la distribución de neutrones en el interior del núcleo del reactor. Para estudiar el estado estacionario del reactor, es posible forzar la criticidad del reactor de forma artificial modificando las secciones eficaces de forma que se obtiene un problema de valores propios diferencial, conocido como el problema de los Modos Lambda, que se resuelve para obtener los valores propios dominantes del reactor y sus correspondientes funciones propias. Para discretizar este modelo se ha hecho uso de un método de elementos finitos con adaptabilidad h-p. Este método permite el uso de mallas heterogéneas, y de diferentes refinamientos como el uso mallas h-adaptativas, reduciendo el tamaño de los distintos nodos, y el p-refinado, aumentando el grado del polinomio de las funciones básicas utilizado en los desarrollos de la solución en los diferentes nodos. Se ha desarrollado un código basado en un método de elementos finitos de alto orden para resolver el problema de los Modos Lambda en un reactor con geometría hexagonal y se han obtenido los Modos dominantes para distintos problemas de referencia. Una vez que se ha obtenido la solución para la distribución de neutrones en estado estacionario, ésta se utiliza como condición inicial para la integración de la ecuación de difusión neutrónica dependiente del tiempo. Para simular el comportamiento de un reactor nuclear para un determinado transitorio, es necesario ser capaz de integrar la ecuación de la difusión neutrónica dependiente del tiempo en el interior del núcleo del reactor. La discretización espacial de esta ecuación se hace usando un método de elementos finitos de alto orden que permite refinados de tipo h-p para distintas geometrías. Los transitorios que implican el movimiento de los bancos de las barras de control tienen el problema conocido como el efecto 'rod-cusping'. Estudios anteriores, por lo general, han abordado este problema utilizando una malla fija y definiendo propiedades promedio para los materiales correspondientes a las celdas donde se tiene la barra de control parcialmente insertada. En el presente trabajo se propone el uso de un esquema de malla móvil, de forma que en mallado espacial va cambiando con el movimiento de la barra de control, evitando la necesidad de utilizar secciones eficaces equivalentes para las celdas parcialmente insertadas. El funcionamiento de este esquema de malla móvil propuesto se estudia resolviendo distintos problemas tipo. La precisión obtenida mediante de la teoría de la difusión en los cálculos de reactores es limitada cuando se tienen elementos de combustible complejos o se pretenden realizar cálculos en malla fina. Para mejorar estos resultados, es necesario disponer de un método que incorpore aproximaciones de orden superior de la ecuación del transporte de neutrones. Una posibilidad es hacer uso de las ecuaciones PN simplificadas (SPN ). En este trabajo se utiliza un método de elementos finitos h-p para obtener los modos dominantes asociados con una configuración dada del núcleo de un reactor nuclear con geometría hexagonal usando la aproximación SPN . El funcionamiento de las aproximaciones SPN (N = 1, 3, 5) se ha estudiado para distintos problemas de referencia. / [CA] L'equació de la difusió neutrònica és una aproximació de l'equació del transport de neutrons que descriu la població de neutrons en el nucli de un reactor nuclear. En particular, considerarem reactors de tipus VVER i per a simular el seu comportament s'utilitzarà l'equació de la difusió neutrónica que es discretitza fent ús de malles hexagonals. La majoria dels codis de simulació de reactors nuclears utilitzen l'aproximació multigrup d'energia de l'equació de la difusió neutrónica per a descriure la distribució de neutrons a l'interior del nucli del reactor. Per a estudiar l'estat estacionari del reactor, és possible forçar la seua criticitat de forma artificial modificant les seccions eficaces de manera que s'obté un problema de valors propis diferencial, conegut com el problema dels Modes Lambda, que es resol per a obtenir els valors propis dominants del reactor i les seues corresponents funcions pròpies. Per a discretitzar aquest model s'ha fet ús d'un mètode d'elements finits amb adaptabilitat h-p. Aquest mètode permet l'ús de malles heterogènies, i de diferents refinaments com l'ús malles h-adaptatives, reduint la grandària dels diferents nodes, i el p-refinat, augmentant el grau del polinomi de les funcions bàsiques utilitzat en els desenvolupaments de la solució en els diferents nodes. S'ha desenvolupat un codi basat en un mètode d'elements finits d'alt ordre per a resoldre el problema dels Modes Lambda en un reactor amb geometria hexagonal i s'han obtingut els Modes dominants per a diferents problemes de referència. Una vegada que s'ha obtingut la solució per a la distribució de neutrons en estat estacionari, aquesta s'utilitza com a condició inicial per a la integració de l'equació de difusió neutrònica depenent del temps. Per a simular el comportament d'un reactor nuclear per a un determinat transitori, és necessari ser capaç d'integrar l'equació de la difusió neutrónica depenent del temps a l'interior del nucli del reactor. La discretitzación espacial d'aquesta equació es fa usant un mètode d'elements finits d'alt ordre que permet refinats de tipus h-p per a diferents geometries. Els transitoris que impliquen el moviment dels bancs de les barres de control tenen el problema conegut com l'efecte 'rod-cusping'. Estudis anteriors, en general, han abordat aquest problema utilitzant una malla fixa i definint propietats equivalents per als materials corresponents a les cel·les on es té la barra de control parcialment inserida. En el present treball es proposa l'ús d'un esquema de malla mòbil, de manera que en mallat espacial va canviant amb el moviment de la barra de control, evitant la necessitat d'utilitzar seccions eficaces equivalents per a les cel·les parcialment inserides. El funcionament de aquest esquema de malla mòbil s'estudia resolent diferents problemes tipus. La precisió obtinguda mitjançant de la teoria de la difusió en els càlculs de reactors és limitada quan es tenen elements de combustible complexos o es pretenen realitzar càlculs en malla fina. Per a millorar aquests resultats, és necessari disposar d'un mètode que incorpore aproximacions d'ordre superior de l'equació del transport de neutrons. Una possibilitat és fer ús de les equacions PN simplificades (SPN ). En aquest treball s'utilitza un mètode d'elements finits h- p per a obtenir els modes dominants associats amb una configuració donada del nucli de un reactor amb geometria hexagonal usant l'aproximació SPN . El funcionament de les aproximacions SPN (N = 1, 3, 5) s'ha estudiat per a diferents problemes de referència. / Fayez Moustafa Moawad, R. (2016). Approximation of The Neutron Diffusion Equation on Hexagonal Geometries Using a h-p finite element method [Tesis doctoral]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/65353

<p>This thesis considers the problem of making dynamic models for industrial processes by combining physical modelling with experimental data. The focus is on distributed parameter systems, that is, systems for which the model structure involves partial differential equations (PDE). Distributed parameter systems are important in many applications, e.g., in chemical process systems and in intracellular biochemical processes, and involve for instance all forms of transport and transfer phenomena. For such systems, the postulated model structure usually requires a finite dimensional approximation to enable identification and validation using experimental data. The finite dimensional approximation involves translating the PDE model into a set of ordinary differential equations, and is termed model reduction.</p><p>The objective of the thesis is two-fold. First, general PDE model reduction methods which are efficient in terms of model order for a given level of accuracy are studied. The focus here is on a class of methods called moving mesh methods, in which the discretization mesh is considered a dynamic degree of freedom that can be used for reducing the model reduction error. These methods are potentially highly efficient for model reduction of PDEs, but often suffer from stability and robustness problems. In this thesis it is shown that moving mesh methods can be cast as standard feedback control problems. Existing moving mesh methods are analyzed based on tools and results available from control theory, and plausible explanations to the robustness problems and parametric sensitivity experienced with these methods are provided. Possible remedies to these problems are also proposed. A novel moving finite element method, Orthogonal Collocation on Moving Finite Elements (OCMFE), is proposed based on a simple estimate of the model reduction error combined with a low order linear feedback controller. The method is demonstrated to be robust, and hence puts only small demands on the user.</p><p>In the second part of the thesis, the integration of PDE model reduction methods with grey-box modelling tools available for finite dimensional models is considered. First, it is shown that the standard approach based on performing model reduction using some ad hoc discretization method and model order, prior to calibrating and validating the reduced model, has a number of potential pitfalls and can easily lead to falsely validated PDE models. To overcome these problems, a systematic approach based on separating model reduction errors from discrepancies between postulated model structures and measurement data is proposed. The proposed approach is successfully demonstrated on a challenging chromatography process, used for separation in biochemical production, for which it is shown that data collected at the boundaries of the process can be used to clearly distinguish between two model structures commonly used for this process.</p>

This thesis considers the problem of making dynamic models for industrial processes by combining physical modelling with experimental data. The focus is on distributed parameter systems, that is, systems for which the model structure involves partial differential equations (PDE). Distributed parameter systems are important in many applications, e.g., in chemical process systems and in intracellular biochemical processes, and involve for instance all forms of transport and transfer phenomena. For such systems, the postulated model structure usually requires a finite dimensional approximation to enable identification and validation using experimental data. The finite dimensional approximation involves translating the PDE model into a set of ordinary differential equations, and is termed model reduction. The objective of the thesis is two-fold. First, general PDE model reduction methods which are efficient in terms of model order for a given level of accuracy are studied. The focus here is on a class of methods called moving mesh methods, in which the discretization mesh is considered a dynamic degree of freedom that can be used for reducing the model reduction error. These methods are potentially highly efficient for model reduction of PDEs, but often suffer from stability and robustness problems. In this thesis it is shown that moving mesh methods can be cast as standard feedback control problems. Existing moving mesh methods are analyzed based on tools and results available from control theory, and plausible explanations to the robustness problems and parametric sensitivity experienced with these methods are provided. Possible remedies to these problems are also proposed. A novel moving finite element method, Orthogonal Collocation on Moving Finite Elements (OCMFE), is proposed based on a simple estimate of the model reduction error combined with a low order linear feedback controller. The method is demonstrated to be robust, and hence puts only small demands on the user. In the second part of the thesis, the integration of PDE model reduction methods with grey-box modelling tools available for finite dimensional models is considered. First, it is shown that the standard approach based on performing model reduction using some ad hoc discretization method and model order, prior to calibrating and validating the reduced model, has a number of potential pitfalls and can easily lead to falsely validated PDE models. To overcome these problems, a systematic approach based on separating model reduction errors from discrepancies between postulated model structures and measurement data is proposed. The proposed approach is successfully demonstrated on a challenging chromatography process, used for separation in biochemical production, for which it is shown that data collected at the boundaries of the process can be used to clearly distinguish between two model structures commonly used for this process. / QC 20101020