[pt] O Método dos Elementos Discretos (Discrete Element Method - DEM) é uma técnica numérico computacional capaz de simular o comportamento macroscópico de um material via solução das equações do movimento de seus constituintes. Para uma correta predição deste comportamento são informados, como dados de entrada, as características mecânicas dos elementos: os chamados microparâmetros. Contudo, não existe uma receita que determine estes microparâmetros baseados somente nas respostas macroscópicas do material simulado, necessitando de um passo adicional conhecido como Calibração. Tentativa e erro, um método ineficiente por conta de seu fator de escala desfavorável, é o mais comumente utilizado nesta etapa. Este trabalho propõe uma nova abordagem utilizando-se do método de otimização global Generalized Simulated Annealing, minimizando-se a área quadrática normalizada entre as curvas experimentais e calculadas de tensão-deformação axial e deformações volumétrica-axial simultaneamente. Foram efetuadas comparações via ensaio triaxial para dados sintéticos e reais cujos resultados demonstram o aproveitamento e aplicabilidade da técnica proposta. / [en] The Discrete Element Method (DEM) is a numerical computational technique that simulates the macroscopic material behaviour by solving the equations of motion of its constituents. For a correct prediction of this behaviour, are set as input data the mechanical characteristics of the elements, the so-called microparameters. However, there is no recipe for determining these microparameters based solely on the macroscopic responses of the simulated material. It is required an additional step known as Calibration. The method widely used in this calibration is trial and error, although is an inefficient method due its unfavorable scale factor. This work proposes a new approach using the Generalized Simulated Annealing global optimization method, minimizing the normalized quadratic area between the experimental and calculated curves of the axial stress-strain and volumetric-axial deformations curves simultaneously. Comparison is done using triaxial tests for both synthetic and real data whose results demonstrate the usefulness and applicability of the proposed approach.

Since their introduction in the late 20th century, lithium-ion batteries have become the leading battery technology for portable devices and electric vehicles due to their high energy density and rechargeability. However, the increasing demand for a longer battery life span is hindered by the fading of the battery’s charge capacity over prolonged use. This reduction in charge capacity stems from electrochemical and mechanical degradation of the battery cells. The main research focus in the literature has been on the chemical degradation of battery cells. However, the mechanical degradation also substantially contributes to the battery’s capacity degradation. Therefore, it is crucial to understand the mechanical properties of the battery cells to be able to mitigate mechanical degradation. The battery’s mechanical degradation stems from the electrode layers’ constituents. This thesis aims to model the positive electrode’s mechanical properties by recreating its granular microstructure using the discrete element method. In Papers 1 and 2, a discrete element method modelling framework is developed, which can reconstruct a positive electrode layer of a lithium-ion battery, simulate manufacturing processing steps, and determine the mechanical properties of the electrode layer. The framework uses two contact models, representing the positive electrode material in the form of particles and a binder agent, which gives the electrode layer its structural integrity. The framework is used to link the mechanical behaviour of the electrode particles and the binder agent to the mechanical behaviour of the entire electrode layer. The framework is able to capture the layer’s pressure sensitivity and relaxation behaviour, properties which have been displayed in the literature through experimental testing. / Sedan de introducerades i slutet av 1900-talet har litiumjonbatterier blivit den ledande batteriteknologin för portabla enheter samt elfordon på grund av deras höga energidensitet och återladdningförmåga. Den ökade efterfrågan på utökade batterilivslängder är dock hämmad av reduceringen av uppladdningskapacitet över längre användningstider. Denna reducering av laddningskapacitet kommer från elektrokemisk och mekanisk degradering av battericellerna. Det största forskningsintresset i litteraturen har varit på den kemiska degraderingen av battericellerna. Dock ger den mekaniska degraderingen ett betydande bidrag till batteriets kapacitetsdegradering. Därför är det viktigt att förstå battericellens mekaniska egenskaper för att kunna förhindra mekaniskdegradering. Batteriets mekaniska degradering beror på elektrodlagrets beståndsdelar. Denna avhandlings målsättning är att modellera den positiva elektrodens mekaniska egenskaper genom att återskapa dess granulära mikrostruktur med hjälp av diskret elementmetodik. I Artikel 1 och 2 utvecklades ett ramverk för modellering med användning av diskreta elementmetoden, vilket kan återskapa det aktiva lagret för en positiv elektrod, simulera tillverkningsprocesser, samt fastställa elektrodlagrets mekaniska egenskaper. Ramverket använder två kontaktmodeller som representerar det positiva elektrodmaterialet i form av partiklar samt ett bindemedel, som ger elektrodlagret dess strukturella integritet. Ramverket används för att undersöka hur de mekaniska egenskaperna för det hela elektrodlagret beror på egenskaperna för de aktiva partiklarna samt bindemedlet. Ramverket kan fånga lagrets tryckkänslighet samt dess relaxering, egenskaper som har påvisats i litteraturen genom experimentell provning. / <p>Qc240322</p>

A significant portion of the reinforced concrete railway bridges in Sweden are reaching their designed lifespan and are scheduled to be demolished and replaced in the upcoming years. To limit the econom-icand environmental impact related to the replacement of existing railway infrastructure, a comprehen-siveevaluation of their capacity is required with the aim of extending its lifespan. In fact, experimental evidence has shown that some of these bridges may have a higher capacity than previously determined due to the conservative assumptions used during their design. The proper stress distribution pattern at the ballast-concrete interface is among the factors that need to be studied, as research on the topic has shown that some of the available guidelines to calculate it can produce conservative results. In this paper, available analytical models for computing the internal forces in concrete bridges due to train axle loads are compared to a numerical model calibrated using the experimental results obtained from the test of ballasted reinforced concrete trough bridge, a typical structural type found in Sweden, and existing research. As a first step, a literature review of existing numerical modeling strategies for ballast-edconcrete railway structures (e.g., finite element models, discrete element models, and their combina-tion)is conducted. Then, the most appropriate numerical modelling strategy is identified and used to develop the numerical model of the bridge, including the ballast. Finally, results of contact pressure and vertical stresses in the numerical model are compared to those obtained analytically.

Suffosion ist ein hydromechanischer Prozess, welcher die Umlagerung und den Transport von feinen Partikeln eines Bodens infolge einer Wasserströmung beschreibt. Als Folge des Materialverlustes vergrößert sich die Porenzahl und die Dichte verringert sich, wodurch sich auch die hydraulischen und bodenmechanischen Eigenschaften des Bodens verändern. Um die Auswirkungen einer Suffosion besser bewerten zu können, wurden die Einflüsse von geometrischen Faktoren (Anfangsfeinanteil und Probendichte), hydraulischen Faktoren (Filtergeschwindigkeit) sowie der effektiven Spannung untersucht. Anhand von 3D-DEM Simulationen mit binären Mischungen wurde die Struktur (Kontakt- und Kontaktkraftverteilung) eines suffosionsanfälligen Bodens und ihre Änderung infolge der genannten Einflüsse untersucht. Hierbei kann klar erkannt werden, dass die feinen Anteile einer Mischung weniger kontaktiert werden als die groben und auch weniger Kontaktkräfte übertragen. Mit steigender Dichte und steigendem Feinanteil steigen allerdings auch die Kontakte und übertragenen Kontaktkräfte der feinen Partikel deutlich an. Anhand von Laborversuchen mit isotroper Belastung und konstanter Durchströmung, wurden die Auswirkungen der verschiedenen Faktoren auf die ausgetragene Materialmenge, die hydraulischen Eigenschaften des Bodens und die infolgedessen auftretenden Verformungen untersucht. Es zeigt sich ein Anstieg der ausgetragenen Materialmenge für einen steigenden Feinanteil, eine steigende hydraulische Einwirkung, sowie eine geringere Probendichte und eine geringere isotrope Belastung. Mit steigender Materialdichte und abnehmender hydraulischer Einwirkung konnte eine Abnahme des Durchlässigkeitsbeiwertes gezeigt werden, welche auf eine Ablagerung von transportierten Partikeln hindeutet. Eine Dimensionsanalyse der Ergebnisse kann einen direkten Zusammenhang zwischen ausgetragenem Feinmaterial und volumetrischer Dehnung des Probekörpers infolge Suffosion zeigen, welcher durch einen Vergleich mit Ergebnissen aus der Literatur bestätigt werden kann. An erodierten Proben wurden drainierte Triaxialversuche durchgeführt. Die Ergebnisse zeigen, dass das qualitative Verhalten der erodierten, sowie der intakten Proben hauptsächlich von der relativen Lagerungsdichte des Grobmaterials bestimmt wird. Weiterhin konnte anhand eines Vergleiches mit Literaturergebnissen gezeigt werden, dass hauptsächlich der Bodenzustand vor der Scherung, beschrieben durch Porenzahl und Porenzahl des Grobmaterials, das Scherverhalten bestimmen. Die Art wie dieser Zustand erreicht wurde, ob durch Suffosion oder künstlich hergestellt, scheint keinen wesentlichen Einfluss auf den maximalen Spannungszustand η = q/p0 während der Scherung zu haben. Weiterhin wurde der Erosionsdurchbruch in feinkörnigen Böden infolge einer Kontakterosion an der Grenzfläche eines feinkörnigen Dichtmaterials zu einem grobkörnigen Filtermaterial untersucht. Hierfür wurden künstlich hergestellte, geschichtete Proben durchströmt, um den kritischen hydraulischen Gradienten für einen Erosionsdurchbruch zu ermitteln. Es wurde hierbei festgestellt, dass der Gradient infolge einer steigenden effektiven Spannung und einem steigenden Überkonsolidierungsgrad des Dichtmaterials sowie einem kleineren Porendurchmesser des Filtermaterials steigt. Anhand einer Dimensionsanalyse konnte gezeigt werden, dass der kritische Gradient auch von der Bodenart abhängen muss.

<p>Many practical fluid flows involve liquid-particle systems and so there is a need to better understand the mechanism of particle deposition, adhesion, and agglomeration in suspensions, especially in complex geometries with moving boundaries and free surfaces. In this thesis, the nature of the particle-solid interactions and particle-fluid interactions is studied where the above complexities are present, taking into account particle collision, colloidal, and hydrodynamic forces, and two way coupling between the fluid flow and particles. The research is motivated by the industrial examples of: flow of dross particles near the sink roll surface in a galvanizing bath (moving surface), and the flow of particles in slot coating dies (free and moving surfaces). Particle motion and agglomeration play important roles in the example systems chosen for this fundamental 3-D study. Numerical studies of flow of dispersed suspensions makes it possible to understand the effects of flow conditions, particle characteristics, and flow geometry specifications that lead to agglomeration of particles in complex systems, especially where experimental studies are difficult to perform. Often the effects of these conditions are discovered due to process or product failures, rather than through insight into the processing steps.</p> <p>The modeling methodology used in this work is that micron sized spherical particles are tracked in the fluid phase by solution of Newton`s second law of motion for each particle. Fluid phase applies hydrodynamic forces on particles (drag, lift). Body forces, (soft sphere) particle-particle collisions and particle-wall collisions are considered. Particle concentrations are in the dilute regime between 0.01-5%vol. Flow of particles with the fluid phase is a fully coupled formulation in systems with particle concentrations > 1%vol.</p> <p>The thesis is organized around three example problems taken from industry that pose challenging modeling issues. The first involves particle collisions with a moving wall (dross particles in a zinc bath). The second problem includes particle-particle and particle-wall collisions in a turning flow geometry. The third problem, particle dispersion flows in a slot coating die, has the most complexity and includes particle-particle, particle-wall and free surfaces.</p> <p>Dross particle build up on the sink roll inside the zinc bath is an industrial problem that causes significant down time, and where an experimental study of the molten zinc in a bath running at C is difficult to perform. With the aid of computational fluid dynamics, turbulent flow of molten zinc in galvanizing bath is simulated, compared with previous cold model experiments, and coupled with the motion of dross particles around the sink roll. The presence of fixed position hardware and moving sink roll and guide rolls in a bath with dimensions in the orders of meters, and micron sized (20-100 ) dross particles makes this case a complex study. Drag, buoyancy, lift force and soft sphere nonlinear collision is considered in solution of Newton`s law of motion for each particle. Turbulent flow is simulated using a standard model. Simulations show regions on the sink roll where particles are dragged toward the surface of sink roll and have long residence times. These regions have been reported to experience large particle build-ups in the hot-dip galvanizing process.</p> <p>In another study, formation and breakage of agglomerates in a turning flow is studied. Neutrally buoyant particles with concentration of 5%vol are tracked in a fully coupled flow. Particles form agglomerates at the corner, where drag and lift force from the fluid breaks a number of agglomerates. The presence of a moving wall in the turning flow shifts the suspended particle formations toward the inside of channel. Location of particles agglomerates shifts toward the free surface with the presence of free surface at the turning flow.</p> <p>Motion of micron sized spherical particles with 1-4%vol through a slot die coating system is elucidated in a separate study. The system is complex with presence of moving web and free surface. Discrete element method (DEM) for motion of dispersed phase and volume of fluid (VOF) method for solution of continuous phase are integrated in a simulation study. Particles are 2-4 and the flow dimensions of the system are in the order of 100 . Particles experience collision, colloidal and hydrodynamic forces. Coupling between flow of particles and fluid phase is conducted. The results of this study show particle positions on the coating film can be predefined and depends on their initial positions within the feed slot. Particles agglomerate in recirculating regions of the coating gap and follow the streamlines of flow on the moving web. Regions in the coating gap where particles have high residence times (inside the die and near the feed slot edges) have particle agglomerations in the slot die coating system.</p> / Doctor of Philosophy (PhD)

In recent years, the increasing impacts of landslide hazards on human lives and lifeline facilities worldwide has advanced the necessity to find out both economically acceptable and useful techniques to predict the occurrence and destructive power of landslides. Though many projects exist to attain this goal, the current investigation set out to establish an understanding of the initiation and propagation mechanisms of landslides via numerical simulations, so that mitigation strategies to reduce the long-term losses from landslide hazards can be made. In this research, the Discrete Element Method (DEM) and Computational Fluid Dynamics (CFD) have been used to investigate the mechanical and hydraulic behaviour of granular materials involved in landslides. The main challenge is to provide rational analyses of large scale landslides via small scale numerical simulations. To solve this problem, dimensional analyses have been performed on a simple granular column collapse model. The influence of governing dimensionless groups on the debris runout distance and deposit height has been studied for the terrestrial and submerged granular flows. 3D DEM investigations of granular flows in plane strain conditions have been performed in this research. The input parameters of the DEM model have been calibrated by the numerical triaxial tests, based on which, the relationships between the microscopic variables and the macroscopic soil strength properties are analysed. Using the simple granular column collapse model, the influences of column aspect ratio, characteristic strain, model size ratio and material internal friction angle on the runout distance and deposit height of granular materials have been examined. Additionally, the deformation and energy evolution of dry granular materials are also discussed. The DEM-CFD coupling model has been employed to study the mechanical and hydraulic behaviour of highly mobilized terrestrial / submarine landslides. This model has been validated via numerical simulations of fluid flow through a porous soil sample and grain batch sedimentations. The simulations of granular flows in the submerged environment have led to some meaningful insights into the flow mechanisms, such as the mobilization of sediments, the generation and dissipation of excess pore water pressures and the evolution of effective stresses. Overall, this study shows that the proposed numerical tools are capable of modelling the mechanical and hydraulic behaviour of terrestrial and submarine landslides.

Dans cette étude, l’intérêt est porté sur l’effet des conditions opératoires sur l’enrobage en voie sèche de grosses particules « hôtes » par de fines particules « invitées » et aussi sur la modélisation de cet enrobage selon la méthode par éléments discrets (DEM) afin de mieux comprendre les phénomènes mis en jeu. Dans ce travail, les matériaux choisis comme particules hôtes sont les Suglets® et les particules invitées sont en stéarate de magnésium (StMg). Ces deux éléments sont introduits dans un mélangeur à fort taux de cisaillement, le Cyclomix. Les propriétés du produit final, comme la coulabilité, la mouillabilité et le degré d’avancement de l’enrobage, ont été caractérisés. La variation des propriétés est étudiée en fonction de la durée de traitement dans le Cyclomix pour diverses vitesses de rotation, taux de remplissage et rapport de taille de particules hôte et invitée. La coulabilité a été améliorée avec la durée du mélange ou la vitesse de rotationLe degré d’avancement présente une tendance semblable pour différentes conditions opératoires. Sa variation est représentée par une loi exponentielle empirique en fonction du temps de mélange, paramétrée par une constante ajustable. Cette constante permet d’estimer l’efficacité de l’enrobage. La simulation des mouvements de particules dans le mélangeur par DEM a permis d’obtenir des informations sur la position, la vitesse des particules, et d’autres paramètres énergétiques. Les champs de vitesse réelle ou numérique liés aux mouvements de particules, analysés par PIV (Particule Image Velocimetry), sont analogues. La constante d’enrobage dépend de la vitesse de rotation simulée et peut être ainsi prédite par DEM. / Investigations of the effect of the operating conditions on the dry coating and the motion of particles in a high shear mixer by the DEM simulation have been done. Big Suglets® and small Magnesium Stearate materials have been chosen for the dry coating process. The treatment has been carried out in a Cyclomix, a high shear mixer, at different mixing time, rotational speeds, filling ratio of the samples and particle size ratio to observe the effect of the operating conditions on the dry coating. A conversion ratio has been introduced to quantify the degree of coating and measured. The flowability has been improved when increasing the operation time in the mixer. Higher speeds of rotation can improve the flowability more rapidly. However, the flowability doesn’t seem to be sensitive to the filling ratio. The curves of conversion ratio versus time exhibit the same kind of variations for different operating conditions. It is possible to approximate this tendency by an exponential function in which a characteristic parameter “coating rate constant” is introduced, linked to the efficiency of the dry coating process, since the conversion ratio shows a linear relation with a flowability index and the wettability angle. Simulation of the particle motion in the mixer has been carried out by a Discrete Element Method: different parameters characterizing the location, the velocities, and the attachment of the particles have been derived. The velocity fields of the real and simulated particle motions, compared by Particle Image Velocity (PIV), are quite similar, validating the DEM method and allowing the prediction of the coating process.

L’augmentation de la vitesse ferroviaire impose l’amélioration des performances de freinage liés aux matériaux de friction utilisés dans les freins à disques et à semelles. Cependant, l'usure reste un point limitant en terme de performance mais aussi de sécurité. Elle a pour conséquence de détériorer les matériaux (aspects mécano-thermiques) mais aussi de contaminer le contact entre roue et rail par des particules de semelles de frein pouvant isoler électriquement celui-ci (aspects mécano-électriques). Le procédé permettant de localiser les trains, ayant pour principe la conduction électrique entre roue et rail, est alors compromis.Ces problématiques sont gouvernées par les différents contacts (roue/rail, roue/semelle, ...) qui s'inscrivent dans le concept de triplet tribologique. Un triplet est composé des corps en contact (premiers corps), de l'interface (troisième corps) et du mécanisme qui les maintient en contact. Afin de comprendre les phénomènes se produisant au sein des contacts, une analyse multi-physique locale et un découplage des paramètres (mécaniques, thermiques, électriques) s'avèrent nécessaires. Toutefois, cela est difficile à établir expé- rimentalement, une modélisation numérique par éléments discrets est alors pertinente pour palier à ces besoins.L'écoulement dynamique d'un troisième corps constitué de particules de freinage et la dégradation d'un matériau de freinage réel (suite à des méthodes d'imageries) sont modélisés. Les résultats obtenus ont permis d'appréhender les compétitions existant entre paramètres physiques d'une part (mécanique, électrique, thermique) et paramètres d'éch-elles d'autre part (local, global). Ces compétitions tendent à minimiser la résistance élec- trique lorsque les constituants sont en proportion adéquat (meilleure conduction électrique entre roue et rail) mais aussi à équilibrer les débits du circuit tribologique, ce qui conduit à protéger les matériaux (usure contrôlée). En outre, les analyses numériques ont permis de mettre en évidence de nouveaux paramètres liés à ``l'étalement'' du troisième corps et d'appréhender les points clés permettant de se rapprocher d'un contact réel. / The increase of the rail speed imposes the improvement of the braking performances related to the friction materials used in brake pad and brakes shoes. However, wear remains a limiting point in terms of performance but also safety. It has the effect of damaging the materials (mechano-thermal aspects) but also to contaminate the contact between wheel and rail by particles of brake shoes that can electrically isolate it (mechanical-electrical aspects). The method for locating the trains, whose principle is the electrical conduction between wheel and rail, is then compromised.These issues are governed by the different contacts (wheel/rail, wheel/shoes, ...) that fit into the concept of tribological triplets. These are composed of the bodies in contact (first bodies), the interface (third body) and the mechanism that keeps them in contact. In order to understand the phenomena occurring within the contacts, a local multi-physics analysis and a decoupling of the parameters (mechanical, thermal, electrical) are necessary. However, this is difficult to establish experimentally, numerical modeling by discrete elements method is then relevant for these needs.The dynamic flow of a third body consisting of braking particles and the degradation of a real braking material (following imaging methods) are modeled. The results obtained made it possible to understand the competitions existing between physical parameters on the one hand (mechanical, electrical, thermal) and scale parameters on the other hand (local, global). These competitions tend to minimize the electrical resistance when the constituents are in adequate proportion (better electrical conduction between wheel and rail) but also to balance the flows of the tribological track, which leads to protect the materials (controlled wear). In addition, the numerical analyzes made it possible to highlight new parameters related to "spreading" of the third body and to apprehend the key points making it possible to approach a real contact.

A presente pesquisa tem como objetivo realizar um estudo teórico e desenvolver simulações computacionais envolvendo a dinâmica de sistemas gás-sólido. O foco principal do trabalho é a modelagem do particulado através da análise das forças de contato entre partículas de materiais granulares utilizando modelos contínuos baseados na mecânica dos solos e na teoria cinética dos escoamentos granulares (sistemas grandes com muitas partículas, formulação Euleriana - Volumes Finitos) e modelos discretos baseados nas características físicas dos materiais (sistemas intermediários e número limitado de partículas, formulação Lagrangeana - Método dos Elementos Discretos). Investigam-se os modelos existentes na literatura com intuito de melhorar os modelos contínuos e discretos baseados na interação entre as partículas que caracterizam a dinâmica do particulado em sistemas gás-sólido. Propõe-se uma nova abordagem para a determinação do coeficiente de rigidez da mola baseada em uma equivalência entre os modelos lineares e não-lineares. Utiliza-se o código fonte MFIX para realizar simulações computacionais da dinâmica de sistemas gás-sólido, analisando o processo de fluidização, mistura e segregação de partículas, influência das correlações de arrasto, e análise das forças de contato entre as partículas através do novo método para a determinação do coeficiente de rigidez da mola . Os resultados obtidos são comparados com dados numéricos e experimentais da literatura. / The purpose of the present study is to perform a theoretical study and develop numerical simulations involving dynamic in gas-solid systems. The focus of the work is the modeling of particulate matter using continuous models based on soil mechanics and the kinetic theory of granular flows (large systems with many particles, Eulerian formulation - Finite Volume) and discrete models based on physical characteristics of the particles (intermediate systems and limited number of particles, Lagrangian formulation - Discrete Element Method). It is proposed a new approach to determine the normal spring stiffness coefficient of the linear model through the numerical solution for the overlap between particles in non-linear models. The linear spring stiffness is determined using an equivalence between the linear and the non-linear models. It is used the MFIX computational code to perform numerical simulations of the dynamics of gas-solid systems. It is analyzed the processes of fluidization, mixing and particle segregation and the influence of drag correlations. The proposed approach for normal spring stiffness coefficient is applied in the numerical simulations of two problems: single freely falling particle and bubbling fluidized bed. The results were compared with numerical and experimental data from literature.

Cette thèse porte sur l'étude numérique des écoulements fluide-particules rencontrés dans l'industrie. Ces travaux se situent dans le cadre de la compréhension des phénomènes qui se déroulent dans des tambours tournants et réacteurs à lit fixe en présence de particules de forme non convexe. En effet, la forme des particules influence de manière importante la dynamique de ces milieux. A cet effet, nous nous sommes servis de la plateforme numérique parallèle Grans3D pour la dynamique des milieux granulaires et PeliGRIFF pour les écoulements multiphasiques. Dans la première partie de cette thèse, nous avons développé une nouvelle stratégie numérique qui permet de prendre en compte des particules de forme arbitrairement non convexe dans le solveur Grains3D. Elle consiste à décomposer une forme non convexe en plusieurs formes convexes quelconques. Nous avons nommé cette méthode « glued-convex ». Le modèle a été validé avec succès sur des résultats théoriques et expérimentaux de tambours tournants en présence de particules en forme de croix. Nous avons aussi utilisé le modèle pour simuler le chargement de réacteurs à lits fixes puis des lois de corrélation sur les taux de vide ont été déduites de nos résultats numériques. Dans ces travaux, nous avons aussi testé les performances parallèles de nos outils sur des simulations numériques à grande échelle de divers systèmes de particules convexes. La deuxième partie de cette thèse a été consacrée à l'extension du solveur PeliGRIFF à pouvoir prendre en compte la présence de particules multilobées (non convexes) dans des écoulements monophasiques. Une approche du type Simulation Numérique Directe, basée sur les Multiplicateurs de Lagrange Distribués / Domaine Fictif (DLM/FD), a alors été adoptée pour résoudre l'écoulement autour des particules. Une série d'études de convergence spatiale a été faite basée sur diverses configurations et divers régimes. Enfin, ces outils ont été utilisés pour simuler des écoulements au travers de lits fixes de particules de forme multi-lobée dans le but d'étudier l'influence de la forme des particules sur l'hydrodynamique dans ces lits. Les résultats ont montré une consistance avec les résultats expérimentaux disponibles dans la littérature. / Non convex granular media are involved in many industrial processes as, e.g., particle calcination/drying in rotating drums or solid catalyst particles in chemical reactors. In the case of optimizing the shape of catalysts, the experimental discrimination of new shapes based on packing density and pressure drop proved to be difficult due to the limited control of size distribution and loading procedure. There is therefore a strong interest in developing numerical tools to predict the dynamics of granular media made of particles of arbitrary shape and to simulate the flow of a fluid (either liquid or gas) around these particles. Non-convex particles are even more challenging than convex particles due to the potential multiplicity of contact points between two solid bodies. In this work, we implement new numerical strategies in our home made high-fidelity parallel numerical tools: Grains3D for granular dynamics of solid particles and PeliGRIFF for reactive fluid/solid flows. The first part of this work consists in extending the modelling capabilities of Grains3D from convex to non-convex particles based on the decomposition of a non-convex shape into a set of convex particles. We validate our numerical model with existing analytical solutions and experimental data on a rotating drum filled with 2D cross particle shapes. We also use Grains3D to study the loading of semi-periodic small size reactors with trilobic and quadralobic particles. The second part of this work consists in extending the modelling capabilities of PeliGRIFF to handle poly-lobed (and hence non-convex) particles. Our Particle Resolved Simulation (PRS) method is based on a Distributed Lagrange Multiplier / Fictitious Domain (DLM/FD) formulation combined with a Finite Volume / Staggered Grid (FV/SG) discretization scheme. Due to the lack of analytical solutions and experimental data, we assess the accuracy of our PRS method by examining the space convergence of the computed solution in assorted flow configurations such as the flow through a periodic array of poly-lobed particles and the flow in a small size packed bed reactor. Our simulation results are overall consistent with previous experimental work.