Liquid waste discharged from industrial outfalls is categorized into two major classes based on their density. One type is the effluent that has a higher density than that of the ambient water body. In this case, the discharged effluent has a tendency to sink as a negatively buoyant jet. The second type is the effluent that has a lower density than that of the ambient water body and is hence defined as a (positively) buoyant jet that causes the effluent to rise. Negatively/Positively buoyant jets are found in various civil and environmental engineering projects: discharges of desalination plants, discharges of cooling water from nuclear power plants turbines, mixing chambers, etc. This thesis investigated the mixing and dispersion characteristics of such jets numerically. In this thesis, mixing behavior of these jets is studied using a finite volume model (OpenFOAM). Various turbulence models have been applied in the numerical model to assess the accuracy of turbulence models in predicting the effluent discharges in submerged outfalls. Four Linear Eddy Viscosity Models (LEVMs) are used in the positively buoyant wall jet model for discharging of heated waste including: standard k-ε, RNG k-ε, realizable k-ε and SST k-ω turbulence models. It was found that RNG k-ε, and realizable k-ε turbulence models performed better among the four models chosen. Then, in the next step, numerical simulations of 30˚ and 45˚ inclined dense turbulent jets in stationary ambient water have been conducted. These two angles are examined in this study due to lower terminal rise height for 30˚ and 45˚, which is very important for discharges of effluent in shallow waters compared to higher angles. Five Reynolds-Averaged Navier-Stokes (RANS) turbulence models are applied to evaluate the accuracy of CFD predictions. These models include two LEVMs: RNG k-ε, and realizable k-ε; one Nonlinear Eddy Viscosity Model (NLEVM): Nonlinear k-ε; and two Reynolds Stress Models (RSMs): LRR and Launder-Gibson. It has been observed that the LRR turbulence model as well as the realizable k-ε model predict the flow more accurately among the various turbulence models studied herein.

This doctorate thesis focuses on investigating the parameter space involved in numerically modeling the bandgap engineering of a GaInP/InGaAs/Ge lattice matched multi-junction solar cell (MJSC) using InAs/InGaAs quantum dots (QDs) in the middle sub-cell. The simulation environment – TCAD Sentaurus – solves the semiconductor equations using finite element and finite difference methods throughout well-defined meshes in the device to simulate the optoelectronic behavior first for single junction solar cells and subsequently for MJSCs with and without quantum dots under concentrated illumination of up to 1000 suns’ equivalent intensity. The MJSC device models include appropriate quantum tunneling effects arising in the tunnel junctions which serve as transparent sub-cell interconnects. These tunneling models are calibrated to measurements of AlGaAs/GaAs and AlGaAs/AlGaAs tunnel junctions reaching tunneling peak current densities above 1000 A/cm^2. Self-assembled InAs/GaAs quantum dots (QDs) are treated as an effective medium through a description of appropriate generation and recombination processes. The former includes analytical expressions for the absorption coefficient that amalgamates the contributions from the quantum dot, the InAs wetting layer (WL) and the bulk states. The latter includes radiative and non-radiative lifetimes with carrier capture and escape considerations from the confinement potentials of the QDs. The simulated external quantum efficiency was calibrated to a commercial device from Cyrium Technologies Inc., and required 130 layers of the QD effective medium to match the contribution from the QD ground state. The current – voltage simulations under standard testing conditions (1 kW/cm^2, T=298 K) demonstrated an efficiency of 29.1%, an absolute drop of 1.5% over a control structure. Although a 5% relative increase in photocurrent was observed, a 5% relative drop in open circuit voltage and an absolute drop of 3.4% in fill factor resulted from integrating lower bandgap nanostructures with shorter minority carrier lifetimes. However, these results are considered a worst case scenario since maximum capture and minimum escape rates are assumed for the effective medium model. Decreasing the band offsets demonstrated an absolute boost in efficiency of 0.5% over a control structure, thus outlining the potential benefits of using nanostructures in bandgap engineering MJSCs.

Shippagan Gully is a tidal inlet located near Shippagan, New Brunswick on the Gulf of Saint Lawrence. It is a particularly complex tidal inlet due to the fact that its tidal lagoon transects the Acadian peninsula and is open to the Bay des Chaleurs at its opposite end. As such, two open boundaries with phase lagged tidal cycles drive flow through the inlet, alternating direction with each tide and reaching velocities in excess of 2m/s. Hydrodynamic and morphological processes at the site are further complicated by the presence of a highly variable wave climate. Presently, shipping practices through the inlet are limited due to continual sedimentation within and immediately offshore from Shippagan Gully. As such, an extensive field study, desktop analysis and numerical and morphological modeling of Shippagan Gully have been conducted in order to provide guidance for future works. Modeling was conducted using the CMS-Wave and CMS-Flow numerical modeling system.

Laplace transform step-response functions are presented for one dimensional transient flow in fractured semi-infinite &amp / finite aquifers. Unsteady flow in the aquifer resulting from a constant discharge pumped from the stream is considered. Flow is one-dimensional, perpendicular to the stream in the confined aquifers. The stream is assumed to penetrate the full thickness of the aquifer. The aquifers may be semi-infinite or finite in width. The Laplace domain solutions are numerically inverted to the real-time domain with the Stehfest (1970) algorithm. During the course of the thesis a simple computer code is written to handle the algorithm and the code is verified by applying it to the one-dimensional transient flow in a semi-infinite homogeneous aquifer problem which can be solved analytically to crosscheck with the numerical results.

In this study, a numerical model is developed to determine shoreline changes due to wind wave induced longshore sediment transport, by solving sediment continuity equation and taking one line theory as a base, in existence of seawalls, groins, T-groins, offshore breakwaters and beach nourishment projects, whose dimensions and locations may be given arbitrarily. The model computes the transformation of deep water wave characteristics up to the surf zone and eventually gives the result of shoreline changes with user-friendly visual outputs. A method of representative wave input as annual average wave characteristics is presented. Compatibility of the currently developed tool is tested by a case study and it is shown that the results, obtained from the model, are in good agreement qualitatively with field measurements. In the scope of this study, input manner of long term annual wave data into model in miscellaneous ways is also discussed.

The use of bearings can be found in virtually all aspects of mechanical systems today. Reliability of these critical components is an important issue. Fatigue performance of bearings is a function of many factors, including service conditions, loading, material properties, environmental factors, and manufacturing processes. Crack nucleation, first spall generation and spall growth in rolling contact fatigue are known to be highly sensitive to the heterogeneity of the microstructure. Yet the current state-of-the-art in the design of high performance bearing materials and microstructures is highly empirical requiring substantial lengthy experimental testing to validate the reliability and performance of these new materials and processes. The approach presented here is designed to determine relative rolling contact fatigue performance as a function of microstructural attributes. A fully three-dimensional finite element modeling allows for end effects to be captured that were not previously possible with two-dimensional plane-strain models, providing for a more realistic assessment of inclusion morphology and arbitrary orientations. The scaling of the finite element models has been optimized to capture the cyclic microplasticity around a modeled inclusion accurately and efficiently. To achieve this, two scales of geometric models were developed to incorporate different sized microstructural phenomena, with both models using traction boundary conditions derived from Hertzian contact stresses. A microstructure-sensitive material model adds additional capability. A hybrid model that includes both martensite and austenite phases with additional internal state variable to track the volume fraction of retained austenite due to stress-assisted transformation were developed. This represents an advance over previous models where transform plasticity and crystal plasticity were not simultaneously accounted for in a homogenized element containing both phases. Important links between microstructural features and fatigue indicator parameters (and relative fatigue performance) were determined. Demonstration cases show the relationship between inclusion orientation and relative fatigue performance, allowing for the identification of critical angles which maximize fatigue and reduce performance. An additional case study showed that increasing initial volume fraction of retained austenite reduces relative fatigue life. The tools developed allow for investigations of the influence of many microstructural aspects on relative fatigue performance with a numerical model that were not previously possible.

[pt] O objetivo principal do trabalho consiste na análise de problemas de fluxo sob uma ótica integrada através de simulações numéricas. Tal perspectiva vêm ganhando grande atenção por parte de profissionais da área, pois permite uma abordagem mais representativa dos processos da natureza. O programa utilizado, Mike SHE, desenvolvido pelo Instituto de Hidráulica Dinamarquês, é criado num esquema determinístico e distribuído e utiliza o método das diferenças finitas como solução. O programa simula o fluxo na superfície, canais e nas zonas saturada e não saturada. No primeiro exemplo, simulou-se a interação entre um aquífero de baixa profundidade e um rio. No segundo, verificou-se a resposta do escoamento superficial submetido a variações metereológicas e fisiográficas. Ambos casos foram validados por soluções analíticas. No terceiro, realizou-se uma simulação integrada em uma escala regional para compreensão da resposta dinâmica entre os diversos armazenamentos e através de uma ferramenta de pós- processamento, calculou-se o balanço hídrico. Por fim, avaliou-se a resposta da bacia hidrográfica do Quitite e Papagaio, localizada no maciço da Tijuca, Rio de Janeiro, mediante registros de picos de precipitação anuais. As análises integradas foram satisfatórias comparando-se a modelagens individuais. O acoplamento é explícito, permitindo a inserção de passos de tempo convenientes com cada ambiente. Por fim, a abordagem integrada permitiu que os modelos dos quatro casos fossem calibrados de acordo com parâmetros de cada ambiente hidrogeológico, aumentando a confiabilidade das simulações. / [en] This master thesis aims the analysis of flow problems under an integrated approach through numerical flow modelling. The relevance of this perspective has been increasing steadily, since it allows a more representative assessment of the nature processes. The program used, named Mike SHE, developed by the Danish Hydraulic Institute, was created in a deterministic and distributed approach solved by finite difference method. The program is comprised of modules, each representing a storage: surface, channels, vadose and saturated zone. The first analysis comprise the interaction between an aquifer of low depth and a river. In the second example, it was verified the response of flow in a surface subjected to variation of physiografic and metereological parameters. Both examples were validated with analytical solutions. In the third case, an integrated simulation was carried on in order to understand the dynamic feedback generated between the storages and through a post-processing tool the water balance was calculated. The last example, assess the response the Quitite and Papagaio basin, located in the Tijuca s massif in the city of Rio de Janeiro, over high precipitation rate. The results were satisfactory in comparison of an individual flow analysis. The coupling is explicit, allowing the input of suitable time steps for each storage. Lastly, the integrated approach allowed the model setup in the four cases to be calibrated under parameters of each storage, enhancing the reliability of them.

Les matériaux granulaires présentent un large spectre de propriétés mécaniques. Développer des modèles constitutifs permettant d'intégrer ces caractéristiques dans le cadre de simulations à l'échelle de l'ouvrage demeure un réel challenge scientifique. A cet égard, les approches multi-échelles constituent aujourd'hui une voie très prometteuse. Elles permettent de faire émerger des propriétés macroscopiques à partir de modèles micromécaniques calibrés à l'échelle microscopique.Parmi les modèles multi-échelles, le modèle H marque une avancée majeure pour la prise en compte des effets de la microstructure dans le comportement des matériaux granulaires. La structure du matériau granulaire est décrite par une distribution d'hexagones orientés dans l'espace. A partir d'opérations d'homogénéisation, les contraintes et les déformations incrémentales sont reliées à l'échelle de la distribution, donnant lieu à un modèle de comportement qui a la capacité à reproduire propriétés mécaniques essentielles des matériaux granulaires.Nous étudions dans un premier temps les propriétés mécaniques de l'assemblage hexagonal de grains, élément de base du modèle H, afin d'identifier les conditions menant à sa déstabilisation. Nous réalisons dans un second temps une étude de sensibilité du modèle constitutif vis-à-vis des paramètres micro-mécaniques et microstructurels. Enfin, nous démontrons les capacités opérationnelles du modèle à partir d'essais triaxiaux non drainés réalisés sur un sable lâche liquéfiable.Dans un second temps, le modèle H est implémenté en tant que loi constitutive dans un code de calcul aux différences finies. Des simulations d'essais biaxiaux non homogènes sont conduites afin d'explorer les capacités du modèle à reproduire les différents modes de rupture observés en laboratoire. L'utilisation du modèle H pour modéliser des essais biaxiaux drainés et non drainés met clairement en évidence l'influence de la microstructure sur la réponse mécanique des matériaux granulaires. Enfin, le modèle H est utilisé dans le cadre d'une simulation hydro-mécanique couplée à l'échelle de l'ouvrage pour modéliser le chargement d'une fondation superficielle et la rupture d'une digue soumise à une crue. / Granular materials generally exhibit a broad spectrum of mechanical properties. Developing constitutive models to integrate these properties in the context of simulations at the structure scale remains a real scientific challenge. In this respect, multi-scale approaches offer very promising solutions as they allow the emergence of macroscopic properties from micromechanical models calibrated on a microscopic scale.Among the multiscale models, the H model marks a major step forward in taking into account the effects of the microstructure in the behavior of granular materials. The structure of the granular material is described by an assembly of hexagons, oriented in space. From homogenization operations, stresses and incremental strains are related to the scale of the assembly, giving rise to a constitutive model that has the ability to reproduce the essential mechanical properties of granular materials.We first study the mechanical properties of the hexagonal grain assembly in order to identify the conditions leading to the triggering of its instability. We then carry out a study of the sensitivity of the constitutive model with respect to micro-mechanical and microstructural parameters. Finally, we demonstrate the operational capacities of the model from triaxial undrained tests carried out on a liquefiable loose sand.In a second step, the H model is implemented as a constitutive law in a finite difference code. Simulations of non-homogeneous biaxial tests are carried out in order to explore the model's capacities to reproduce the different failure modes observed in the laboratory. The use of the H model to model drained and undrained biaxial tests highlights the influence of the microstructure on the mechanical response of granular materials. Finally, model H is used in numerical simulations at the structure scale to model the loading of a shallow foundation and the failure of a levee subjected to a flooding event.

Cette thèse s'intéresse à la dynamique des prismes orogéniques à travers l'étude du cas Himalayen. J'ai utilisé une approche pluri-disciplinaire combinant modélisation numérique, cartographie de terrain, analyse structurale et microstructurale, thermochronologie Ar-Ar et détermination des pics de température métamorphique par RSCM (Raman Spectroscopy of Carbonaceous Material).La modélisation numérique m'a permis d'apporter des contraintes sur les paramètres contrôlant la géométrie actuelle de la chaine. A la suite de cette étude, je propose que les variations latérales observées le long de la chaîne Himalayenne soient générées par la combinaison de deux mécanismes : 1) l'advection asynchrone d'une rampe crustale sous le Moyen Pays Himalayen le long de différents segments, qui entraine la présence et le déplacement de la transition topographique le long de la chaîne; 2) des variations dans le contraste rhéologique entre le plateau du Tibet et la croûte continentale Indienne, qui controlent la formation des klippes et influence la largeur de la chaîne.Le travail de terrain a permis d'apporter des données sur une zone jusqu'alors peu documentée de l'Ouest Népalais. Les observations réalisées, ainsi que les analyses effectuées sur les échantillons rapportés de cette campagne de terrain, m'ont amené à proposer une nouvelle coupe géologique pour cette zone. L'existence du “lesser Himalayan Duplex”, jusqu'alors utilisé pour expliquer cette zone, est ainsi discuté ainsi que la géométrie et la signification du “Ramgarh Thrust”.Par ailleurs, un code de modélisation numérique a été développé afin d'étudier les mécanismes thermiques ayant lieu dans la croûte continentale en cours de migmatisation. Ce modèle, appliqué au massif métamorphique de El Oro en Equateur, nous a amené à mettre en évidence l'existence de mécanismes de convection crustale, lors de la migmatisation, dans cette région. Cette étude méthodologiquement proche de celle réalisée sur le prisme orogénique himalayen, apporte des contraintes sur la formation et la dynamique des plateaux continentaux. / This PhD focuses on the dynamics of orogenic wedges using the Himalayas as a case study. I used a multi-disciplinary approach combining numerical modeling, field mapping, structural and microstructural analysis, Ar-Ar thermochronology and metamorphic peak temperature estimation by RSCM (Raman Spectroscopy of Carbonaceous Material) to provide geometrical and timing constraints on the development and evolution of an upper-crustal scale nappe system.Numerical modeling provided the intuition on the parameters that control the current geometry of the belt. According to this study, I propose that along-strike variations observed along the Himalayan Belt are generated by two parallel mechanisms: 1) The asynchronous underthrusting of a crustal ramp beneath the Lesser Hiamalaya, responsible for the presence and displacement of the topographic transition observed along the belt; and 2) variations in the rheological contrast between the Tibetan Plateau and the colliding Indian continental crust, controlling the formation of klippes and the range width.The fieldwork campaign allowed us to bring new data on an area so far poorly documented: the far western Nepal. Field observations as well as analyses performed on samples collected during the field campaign led us to propose a new geological cross section for this area. The existence of the lesser Himalayan duplex, used so far to explain the structure of the belt in the Karnali River area (Western Nepal), is discussed as well as the geometry and tectonic significance of the Ragmarh thrust.In a parallel study, a numerical code has been developed in order to study the thermal behavior of a partially melted continental crust. This model, applied to the El Oro massif in Equator, led us to show the likely presence of crustal convection during partial melting for this area, in the Triassic. This study is similar to the one on the Himalayan orogenic wedge from a methodological point of view and brings new constraints on the formation and kinematics of continental plateau.

Dans les régions de montagne, la prévision des évènements gravitaires reste un défi pour la gestion des risques. Des méthodes de calcul telles que la méthode des éléments discrets (DEM), où les particules interagissent les unes avec les autres pour restituer un comportement global d’une masse granulaire, ont été utilisées pour aborder ce type de problématique. L’application de la DEM reste normalement limitée aux évènements de petits volumes impliquant un nombre de blocs plutôt faible, puisque les temps de calcul peuvent devenir rapidement prohibitifs avec l’augmentation du nombre de particules. Les méthodes de calcul continues sont donc une alternative intéressante car elles permettent de réduire les temps de calcul. Elles nécessitent cependant la définition d’une loi de comportement macroscopique capable de représenter correctement les principaux traits de comportement mécanique du matériau au sein de la masse. L'objectif principal du travail de thèse réside dans le développement d’un outil numérique permettant de modéliser certains aléas gravitaires tels que les écoulements en masse. Notre choix s’est porté sur une méthode Lagrangienne-Eulérienne (méthode des points matériels – MPM) capable de gérer de grandes déformations tout en bénéficiant des principaux avantages de la méthode des éléments finis (FEM). La méthode utilise une grille Eulérienne fixe sur laquelle se déplacent des points matériels pendant les simulations. Un outil numérique, nommé MPMbox (2D et 3D), a été développé entièrement durant la thèse en C++. Le code a été validé à l'aide d'une série de solutions analytiques en quasi-statique (tests géotechniques standards) ainsi que par des applications de la littérature incluant des déformations importantes et rapides (tests d'affaissement). Après validation, le code a été confronté aux prédictions d’un outil de calcul DEM (DEMbox) dans le cadre de simulations numériques impliquant l'écoulement (initiation, régimes transitoires, propagation et arrêt) d'un matériau granulaire (particules sphero-polyhédriques) sur un plan incliné. Les résultats ont été comparés en termes de distance de propagation, de forme du dépôt et d'énergies dissipées à l'interface et dans la masse pendant l'écoulement. Pour les applications qui ont suivies, des éléments discrets ont été couplés à la MPM afin qu'un bloc rigide (DEM) puisse interagir avec un sol déformable (MPM). Cette application a consisté en l'analyse (2D) de la collision entre un bloc rocheux rigide (rond ou carré) et un sol bicouche élastoplastique. Les investigations ont été largement basées sur la mesure de coefficients de restitution (rapport des énergies cinétiques avant et après impact) qui reste difficile à déterminer expérimentalement. / In mountainous regions, the prediction of gravitational phenomena remains a challenge for the management of risk. Computational methods such as the Discrete Element Method (DEM) have been used for the modeling of these types of phenomena, where particles interact with each other to give an overall behavior of the mass. Its application can be somewhat restricted to small and medium number of blocks, since the computational time can easily become too large. Continuum analyses are therefore an attractive approach, which can reduce the computational times, but that rely on a constitutive law to represent the behavior within the mass. The main objective of this PhD was to develop a numerical tool that allowed the modeling of some specific gravitational hazards, such as the flowing of mass. A Lagrangian-Eulerian method such as the Material Point Method (MPM) is able to handle large deformations, while preserving most of the capabilities of the Finite Element Method (FEM). The method uses an Eulerian grid which is only used as a numerical scratch-pad, and remains fixed during simulations. A numerical tool named MPMbox (2D and 3D) was then developed from the ground up using C++. The code was validated using a series of analytical solutions for quasi-static analysis (some standard geotechnical tests), as well as simulations including large and rather rapid deformations (slump tests). After validation, the code was first used to make a numerical comparison with the DEM. In the comparison, a parametric survey was carried out during which the flow of a granular material on a sloped surface was simulated. Results were compared in terms of run-out distance, spread of the deposit and energy dissipated at the interface and within the mass during the flow. For a second study, discrete elements were coupled with MPM so that a rigid block could interact with a deformable soil. This application consisted in the (2D) analysis of the collision between a discrete block (round and squared) and a bounded elasto-plastic double-layered soil (soft over hard layers). The investigations were largely based on the measurement of the restitution coefficient (ratio of kinetic energies before to after the impact), which cannot be easily determined experimentally.