Les milieux complexes sont une source d'incertitude importante notamment lorsqu'il s'agit de développer des modèles climatique ou météorologique. Le développement de la couche limite atmosphérique à l'intérieur d'une vallée encaissée, incluant des vents de vallée et de pente, n'est, par exemple, pas résolu, ce qui a un impact considérable sur la prévision de la convection, du transport de polluants, etc... La simulation des grandes échelles de la turbulence (SGE) est un outil qui a montré sa capacité à reproduire finement les structures turbulentes dans ce type de contextes au travers des approches idéalisées. L'extension de la SGE aux milieux naturels est réalisée dans cette thèse qui s'articule en trois parties. La première partie présente les équations et les notions nécessaires à la compréhension des problèmes de turbulence dans la couche limite atmosphérique. On s'attache à décrire le cadre des lois issues de la théorie des similitudes et le cadre de la turbulence optique. La seconde partie présente des résultats issus de deux simulations idéales dans lesquelles nous comparons les résultats issus de la simulation avec d'une part les lois issues de la théorie des similitudes et d'autre part les données radar disponible lors de la campagne IHOP. L'utilisation d'un maillage raffinée près du sol permet d'améliorer les profils verticaux des champs turbulents en améliorant la prédiction des gradients à l'interface sol/atmosphère. De plus, le profil de couche limite est bien reproduit par les profils du paramètre de structure des fluctuations de l'indice de réfraction de l'air simulé si on compare avec les résultats issus du radar. Globalement, la dynamique des champs turbulents résolus par le modèle reproduise une dynamique et des ordres de grandeurs corrects conformes à nos attentes. Une fois l'évaluation du modèle effectuée, une simulation a été mise en place autour de la campagne d'observation VOTALP située dans le sud de la Suisse. Cette simulation comprend 5 domaines emboités allant de 16 kms de résolution horizontales pour le plus grand domaine à 100m pour le plus petit domaine. L'important dispositif déployé durant la campagne VOTALP située dans une vallée dans le sud de la Suisse a permis de confronter les résultats issus de la modélisation à haute résolution avec ces données d'observation. Les résultats obtenus ont, entre autre, montré que la simulation à haute résolution est un outil adapté pour l'étude des phénomènes de basses couches et notamment la turbulence optique en milieu complexe. / Complex environments are an important source of uncertainty especially when it comes to developing climate models and weather. The development of the atmospheric boundary layer within a valley, including valley and slope winds is, for example, unresolved, which has a significant impact on the prediction of convection, of transport of pollutants, etc ... The large eddy simulation of turbulence (LES) is a tool that has demonstrated its ability to reproduce turbulent structures in such idealized contexts. The extension of the LES to natural environments is performed in this thesis divided into three parts. The first part presents the equations and the concepts necessary to understanding the problems of turbulence in the atmospheric boundary layer. It attempts to describe the laws for the similarity theories and the context of optical turbulence. The second part presents the results of two ideals simulations and we compare the results of the simulation with one hand the laws of the similarity theories and in other hand with radar data available in the IHOP campaign. The use of a refined mesh near the floor improves vertical profiles of turbulent fields improving prediction gradients at the interface soil / atmosphere. In addition, the boundary layer profile seems to be well reproduced by Cn2 profiles when compared with the results from the radar. Overall, the dynamics of turbulent fields solved are in good agreement with our expectations. Once the model evaluation performed, a simulation was set up around the measurement campaign VOTALP located in the south of Switzerland. This simulation includes five nested domains ranging from 16 km horizontal resolution for the largest to 100m for the smallest area. The important device deployed during the campaign VOTALP located in a valley in southern Switzerland has to confront the results of modeling the high-resolution observational data. The results obtained, among others, showed that the high-resolution simulation is a suitable tool for the study of the phenomena of lower layers including optical turbulence in complex environments.

Extreme hydrological events associated with global warming are likely to produce an increasing number of flooding scenarios resulting in significant bridge inundation and associated damages. During large floods, the presence of a bridge in an open channel triggers a highly turbulent flow field including 3D complex coherent structures around bridge structures. These turbulence structures are highly energetic and possess high sediment entrainment capacity which increases scouring around the bridge foundation and consequently lead to structural stability problems or even failure of the structure. Hence, understanding the complex turbulent flow field for these extreme flow conditions is crucial to estimate the failure risks for existing bridges and better design of future bridges. This research employs the method Large Eddy Simulation (LES) to predict accurately the 3D turbulent flow around bridge structures. The LES code is refined with a novel free surface algorithm based on the Level Set Method (LSM) to determine the complex water surface profiles. The code is used to analyze the hydrodynamics of compound channel flow with deep and shallow overbanks, free flow around a bridge abutment, pressure flow with a partially submerged bridge deck and bridge overtopping flow. All simulations are validated with data from complementary physical model tests under analogous geometrical and flow conditions. Primary velocity, bed shear stress, turbulence characteristics and 3D coherent flow structures are examined thoroughly for each of the flow cases to explain the hydrodynamics of these complex turbulent flows.

A sub-grid scale closure for Large Eddy Simulation (LES) of turbulent combustion, based on physical space filtering of laminar flames is presented. The proposed formalism relies on a presumed probability density function (PDF) derived from the filtered laminar flames and flamelet tabulated chemistry. The combustion LES filter size is not fixed in this novel approach when sub-grid scale wrinkling occurs, but calibrated depending on the local level of unresolved scalar fluctuations. The model was validated by simulating 1D filtered laminar flames and 2D Bunsen flames. Subsequently, the model was tested on a 3D turbulent scenario by performing LES of the premixed and stratified configurations of the Cambridge swirl burner, experimentally studied by Sweeney and co-workers. Comparison of simulation and experiments for both the premixed and stratified configurations showed good agreement emphasizing the model characteristiscs. Instantaneous and time averaged LES data were analyzed to extract

A 3D parallel CFD code is written to investigate the characteristics of and differences between Large Eddy Simulation (LES) models in the context of simulating a thermal buoyant plume. An efficient multigrid scheme is incorporated to solve the Poisson equation, resulting from the fractional step, projection method used to solve the Low Mach Number (LMN) Navier-Stokes equations. A wide range of LES models are implemented, including a variety of eddy models, structure models, mixed models and dynamic models, for both the momentum stresses and the temperature fluxes. Generalised gradient flux models are adapted from their RANS counterparts, and also tested. A number of characteristics are observed in the LES models relating to the thermal plume simulation in particular and turbulence in general. Effects on transition, dissipation, backscatter, equation balances, intermittency and energy spectra are all considered, as are the impact of the governing equations, the discretisation scheme, and the effect of grid coarsening. Also characteristics to particular models are considered, including the subgrid kinetic energy for the one-equation models, and constant histories for dynamic models. The argument that choice of LES model is unimportant is shown to be incorrect as a general statement, and a recommendation for when the models are best used is given.

Un modèle de sous-maille pour la simulation aux grandes échelles de la combustion turbulente, basé sur le filtrage de flammes laminaires est présenté. Le formalisme repose sur une fonction de densité de probabilité (PDF) présumée construite à partir du filtrage de flammes laminaires 1D et sur une chimie tabulée. La taille de filtre LES appliqué à la combustion n'est pas fixée dans cette nouvelle approche mais est déterminée en fonction du niveau local de fluctuations de sous-maille. Le modèle a été validé sur des flammes laminaires 1D filtrées, sur des flammes de bec Bunsen et sur une configuration 3D turbulente avec la LES d'un brûleur à swirl. La comparaison de la simulation avec l'expérience en prémélangé et en stratifié est pleinement satisfaisante confirmant l'intérêt du nouveau modèle. Les échelles spatiales associées à la stratification sont trouvées grandes devant celles associées à la flamme (épaisseurs de zone de réaction et thermique) dont la propagation reste quasi-homogène. / A sub-grid scale closure for Large Eddy Simulation (LES) of turbulent combustion, based on physical space filtering of laminar flames is presented. The proposed formalism relies on a presumed probability density function (PDF) derived from the filtered laminar flames and flamelet tabulated chemistry. The combustion LES filter size is not fixed in this novel approach when sub-grid scale wrinkling occurs, but calibrated depending on the local level of unresolved scalar fluctuations. The model was validated by simulating 1D filtered laminar flames and 2D Bunsen flames. Subsequently, the model was tested on a 3D turbulent scenario by performing LES of the premixed and stratified configurations of the Cambridge swirl burner, experimentally studied by Sweeney and co-workers. Comparison of simulation and experiments for both the premixed and stratified configurations showed good agreement emphasizing the model characteristiscs. Instantaneous and time averaged LES data were analyzed to extract

Increasing the turbine inlet temperature of gas turbine engines significantly increases their power output and efficiency, but it also increases the likelihood of thermal failure. Internal passages with tiny ribs are typically cast into turbine blades to cool them, and the ability to accurately predict the flow and heat transfer within these channels leads to higher design reliability and prevention of blade failure resulting from local thermal loading. Prediction of the flow through these channels is challenging, however, because the flow is highly turbulent and anisotropic, and the presence of rotational body forces further complicates the flow. Large Eddy Simulations are used to study these flows because of their ability to predict the unsteady flow effects and anisotropic turbulence more reliably than traditional RANS closure models. Calculations in a stationary duct are validated with experiments in the developing flow, fully developed, and 180° bend regions to establish the accuracy and prediction capability of the LES calculations and to aid in understanding the major flow structures encountered in a ribbed duct. It is found that most flow and heat transfer calculations come to within 10-15% of the measurements, typically showing excellent agreement in all comparisons. In the developing flow region, Coriolis effects are found to destabilize turbulence and increase heat transfer along the trailing wall (pressure side), while decreasing leading wall heat transfer by stabilizing turbulence. Coriolis forces improve flow turning in the 180° bend by shifting the shape of the separated recirculation zone at the tip of the dividing wall and increasing the mainstream flow area. In addition, turbulence is attenuated near the leading wall throughout the bend, while Coriolis forces have little effect on trailing wall turbulence in the bend. Introducing and increasing centrifugal buoyancy in the developing flow region increases trailing wall heat transfer monotonically. Along the leading wall, buoyancy increases the size of the recirculation zones, shifting the peak heat transfer to a region upstream of the rib, which decreases heat transfer at low buoyancy parameters but increases it as the buoyancy parameter is increased beyond a value of 0.3. Centrifugal buoyancy in the 180° bend initially decreases the size of the recirculation zone at the tip of the dividing wall, increasing flow area and decreasing flow impingement. At high buoyancy, however, the recirculation zone shifts to the middle of the bend, increasing flow resistance and causing strong flow impingement on the back wall. The Boussinesq approximation is used in the buoyancy calculations, but the accuracy of the approximation comes into question in the presence of large temperature differences. A variable property algorithm is developed to calculate unsteady low speed flows with large density variations resulting from large temperature differences. The algorithm is validated against two test cases: Rayleigh-Bénard convection and Poiseuille-Bénard flow. Finally, design issues in rotating ribbed ducts are considered. The fully developed assumption is discussed with regard to the developing flow region, and controlling the recirculation zone in the 180° bend is considered as a way to determine the blade tip heat transfer and pressure drop across the bend. / Ph. D.

According to the United Nations, 55% of the world's population currently lives in urban areas and which is projected to increase to 67% by 2050. Thus, it is imperative that effective strategies are developed to mitigate urban pollution. Complementing field experiments, computational fluid dynamics (CFD) analyses are becoming an effective strategy for identifying critical factors that influence urban pollution and its mitigation. This thesis focuses on two scales of the urban micro-climate environment: (i) evaluation of LES simulations with a simplified grid for modeling pollution dispersion in a street canyon and (ii) investigation of the effects of leaf surface micro-characteristics, wind speed, and particle sizes on the dry deposition of fine particulate matter (PM2.5). The first of these studies focuses on reproducing the pollution dispersion in a street canyon measured in a wind tunnel at Karlsruhe Institute of Technology (KIT), Germany. A simplified grid with the Large Eddy Simulations (LES) approach for canyon ratio W/H = 1 is proposed with the goal to reduce the computational cost by eliminating the need to model the entire canyon while striving to preserve the mixing induced by individual jets used to model vehicle emission in the experiment. LES is also capable of providing transient flow field and pollution concentration data not available with widely-used steady approaches such as RANS. The time-dependent information is crucial for pollution mitigation since pedestrians are usually exposed to pollution on a short-time basis. The predictions are in satisfactory agreement with the experiment for W/H = 1, yielding the Pearson correlation coefficient R = 0.81, with better performance near the leeward wall. Due to the small span modeled, three-dimensional instabilities fail to develop which could probably explain the overprediction of pollution concentration near ground level. However, other LES investigations where the full canyon was modeled also observed over-predictions. The use of a discrete emission source was not observed to provide benefits. The current model could be further improved by using a larger spanwise domain with a continuous line source to allow large wavelength instabilities to develop and increase turbulent diffusion. The second part of this thesis investigates the impact of trichome morphology and wind speed on the deposition of 0.3 μm and 1.0 μm particles on leaves. Using the one-way coupling approach to predict the fluid-particle interactions with the assumption that all particles that impact the leaf or trichome surface deposit, trichomes of 5 μm and 20 μm in diameter are modeled as equally spaced and uniform cylinders on an infinitely large plane. The results show that trichome diameter, density, and wind speed have a favorable impact on deposition velocity. Comparing to the smooth leaf, the presence of the thicker 20 μm hairs increases the deposition velocity by 1.5 – 4 times, whereas, the presence of short 5um trichomes reduces the deposition by 15 - 45%. Increasing trichome height from H/D = 20 to 30 shows benefits for the thinner trichomes but lowers the deposition for the densely packed thicker trichomes. Less aerosol deposition is also observed when the particle diameter increases from 0.3 μm to 1.0 μm. Due to the non-uniform contributions of these various traits, a non-dimensional ratio Rhp is proposed to model the aerosol deposition on leaf surface at wind speed of 1 m/s which yields a satisfactory linear correlation coefficient of 0.89 for 0 < R_hp < 0.3. Comparing to other published field and wind tunnel experiments conducted on a much larger scale, the deposition velocities predicted are at the lower end (U_dep^* = 0.002 to 0.012 cm/s) because of the idealized conditions. Nonetheless, the results still offer valuable insight into the effects of trichome morphology on pollutant deposition in isolation from other macro-factors. / Master of Science / According to the United Nations, 55% of the world’s population currently lives in urban areas and which is projected to increase to 67% by 2050. Thus, it is imperative that effective strategies are developed to mitigate urban pollution. Complementing field experiments, computational fluid dynamics (CFD) analyses are becoming an effective strategy for identifying critical factors that influence urban pollution and its mitigation. This thesis focuses on two scales of the urban micro-climate environment: (i) evaluation of Large Eddy Simulation (LES) with a simplified method for modeling pollution dispersion in a street canyon and (ii) investigation of the effects of leaf surface micro-characteristics, wind speed, and particle sizes on the dry deposition of fine particulate matter (PM2.5). The first of these studies focuses on reproducing the pollution dispersion in a street canyon measured in a wind tunnel at Karlsruhe Institute of Technology (KIT), Germany. A simplified grid with the LES approach for canyon ratio W/H = 1 is proposed. The goal of this study is to reduce the computational cost by modelling the canyon with a very thin span instead of the entire canyon while providing time-dependent information which is crucial for pollution mitigation since pedestrians are usually exposed to pollution on a short-time basis. The predictions are in satisfactory agreement with the experiment for W/H = 1 with better performance near the leeward wall (i.e. the left wall) and overprediction of pollution concentration near ground level – as observed by other LES investigations. The current model could be further improved by using a larger spanwise domain with a continuous line source to allow instabilities to develop, thus improve prediction accuracy. The second part of this thesis investigates the impact of trichome (i.e. a hair or an outgrowth from leaf surface) morphology and wind speed on the deposition of 0.3 mm and 1.0 mm particles on leaves. The results show that trichome diameter, density, and wind speed have a favorable impact on deposition velocity. Less aerosol deposition is also observed when the particle diameter increases from 0.3 mm to 1.0 mm. No clear effects is observed by altering the trichome height. Due to the non-uniform contributions of these various traits, a non-dimensional ratio D∗ �D∗ �2 Rhp = hair hair is proposed to model the aerosol deposition on leaf surface at wind speed of D∗ H∗ S∗ p hair hair 1 m/s which yields a satisfactory linear correlation coefficient of 0.89 for 0 < Rhp < 0.3. This ratio includes trichome diameter (D∗ ), height (H∗ ), spacing (S∗ ) as well as the ratio of hair hair hair trichome diameter to particle diameter (D∗ /D∗ ). The results offer valuable insight into the hair p effects of trichome morphology on pollutant deposition in isolation from other macro-factors.

This thesis presents a computational framework that models the coupled behavior between sand deposits and their surrounding fluid. Particle deposits that form in gas turbine engines and industrial burners, can change flow dynamics and heat transfer, leading to performance degradation and impacting durability. The proposed coupled framework allows insight into the coupled behavior of sand deposits at high temperatures with the flow, which has not been available previously. The coupling is done by using a CFD-DEM framework in which a physics based collision model is used to predict the post-collision state-of-the-sand-particle. The collision model is sensitive to temperature dependent material properties of sand. Particle deposition is determined by the particle's softening temperature and the calculated coefficient of restitution of the collision. The multiphase treatment facilitates conduction through the porous deposit and the coupling between the deposit and the fluid field. The coupled framework was first used to model the behavior of softened sand particles in a laminar impinging jet flow field. The temperature of the jet and the impact surface were varied(T^* = 1000 – 1600 K), to observe particle behavior under different temperature conditions. The Reynolds number(Rejet = 20, 75, 100) and particle Stokes numbers (Stp = 0.53, 0.85, 2.66, 3.19) were also varied to observe any effects the particles' responsiveness had on deposition and the flow field. The coupled framework was found to increase or decrease capture efficiency, when compared to an uncoupled simulation, by as much as 10% depending on the temperature field. Deposits that formed on the impact surface, using the coupled framework, altered the velocity field by as much as 130% but had a limited effect on the temperature field. Simulations were also done that looked at the formation of an equilibrium deposit when a cold jet impinged on a relatively hotter surface, under continuous particle injection. An equilibrium deposit was found to form as deposited particles created a heat barrier on the high temperature surface, limiting more particle deposition. However, due to the transient nature of the system, the deposit temperature increased once deposition was halted. Further particle injection was not performed, but it can be predicted that the formed deposit would begin to grow again. Additionally, a Large-Eddy Simulation (LES) simulation, with the inclusion of the Smagorinsky subgrid model, was performed to observe particle deposition in a turbulent flow field. Deposition of sand particles was observed as a turbulent jet (Re jet=23000,T_jet^*= 1200 K) impinged on a hotter surface(T_surf^*= 1600 K). Differences between the simulated flow field and relevant experiments were attributed to differing jet exit conditions and impact surface thermal conditions. The deposit was not substantive enough to have a significant effect on the flow field. With no difference in the flow field, no difference was found in the capture efficiency between the coupled and decoupled frameworks. / Master of Science

La modélisation par simulation des grandes échelles (Large-Eddy Simulation - LES) des processus physiques régissant la couche limite atmosphérique (CLA) demeure complexe de part la difficulté des modèles à capter l'évolution de la turbulence entre différentes conditions de stratification. De ce fait, l'étude LES du cycle diurne complet de la CLA comprenant des situations convectives la journée et des conditions stables la nuit est très peu documenté. La simulation de la couche limite stable où la turbulence est faible, intermittente et qui est caractérisée par des structures turbulentes de petite taille est tout particulièrement compliquée. En conséquence, la capacité de la LES à bien reproduire les conditions météorologiques de la CLA, notamment en situation stable, est étudiée à l'aide du code de mécanique des fluides développé par EDF R&D, Code_Saturne. Dans une première étude, le modèle LES est validé sur un cas de couche limite convective quasi stationnaire sur terrain homogène. L'influence des modèles sous-maille de Smagorinsky, Germano-Lilly, Wong-Lilly et WALE (Wall-Adapting Local Eddy-viscosity) ainsi que la sensibilité aux méthodes de paramétrisation sur les champs moyens, les flux et les variances est discutées. Dans une seconde étude le cycle diurne complet de la CLA pendant la campagne de mesure Wangara est modélisé. L'écart aux mesures étant faible le jour, ce travail se concentre sur les difficultés rencontrées la nuit à bien modéliser la couche limite stable. L'impact de différents modèles sous-maille ainsi que la sensibilité au coefficient de Smagorinsky ont été analysés. Par l'intermédiaire d'un couplage radiatif réalisé en LES, les répercussions du rayonnement infrarouge et solaire sur le jet de basse couche nocturne et le gradient thermique près de la surface sont exposées. De plus l'adaptation de la résolution du domaine à l'intensité de la turbulence et la forte stabilité atmosphérique durant l'expérience Wangara sont commentées. Enfin un examen des oscillations numériques inhérentes à Code_Saturne est réalisé afin d'en limiter les effets / Large-eddy simulation (LES) of the physical processes in the atmospheric boundary layer (ABL) remains a complex subject. LES models have difficulties to capture the evolution of the turbulence in different conditions of stratification. Consequently, LES of the whole diurnal cycle of the ABL including convetive situations in daytime and stable situations in the night time is seldom documented. The simulation of the stable atmospheric boundary layer which is characterized by small eddies and by weak and sporadic turbulence is espacialy difficult. Therefore The LES ability to well reproduce real meteorological conditions, particularly in stable situations, is studied with the CFD code developed by EDF R&D, Code_Saturne. The first study consist in validate LES on a quasi-steady state convective case with homogeneous terrain. The influence of the subgrid-scale models (Smagorinsky model, Germano-Lilly model, Wong-Lilly model and Wall-Adapting Local Eddy-viscosity model) and the sensitivity to the parametrization method on the mean fields, flux and variances are discussed.In a second study, the diurnal cycle of the ABL during Wangara experiment is simulated. The deviation from the measurement is weak during the day, so this work is focused on the difficulties met during the night to simulate the stable atmospheric boundary layer. The impact of the different subgrid-scale models and the sensitivity to the Smagorinsky constant are been analysed. By coupling radiative forcing with LES, the consequences of infra-red and solar radiation on the nocturnal low level jet and on thermal gradient, close to the surface, are exposed. More, enhancement of the domain resolution to the turbulence intensity and the strong atmospheric stability during the Wangara experiment are analysed. Finally, a study of the numerical oscillations inherent to Code_Saturne is realized in order to decrease their effects

Les milieux complexes sont une source d'incertitude importante notamment lorsqu'il s'agit de développer des modèles climatique ou météorologique. Le développement de la couche limite atmosphérique à l'intérieur d'une vallée encaissée, incluant des vents de vallée et de pente, n'est, par exemple, pas résolu, ce qui a un impact considérable sur la prévision de la convection, du transport de polluants, etc... La simulation des grandes échelles de la turbulence (SGE) est un outil qui a montré sa capacité à reproduire finement les structures turbulentes dans ce type de contextes au travers des approches idéalisées. L'extension de la SGE aux milieux naturels est réalisée dans cette thèse qui s'articule en trois parties. La première partie présente les équations et les notions nécessaires à la compréhension des problèmes de turbulence dans la couche limite atmosphérique. On s'attache à décrire le cadre des lois issues de la théorie des similitudes et le cadre de la turbulence optique. La seconde partie présente des résultats issus de deux simulations idéales dans lesquelles nous comparons les résultats issus de la simulation avec d'une part les lois issues de la théorie des similitudes et d'autre part les données radar disponible lors de la campagne IHOP. L'utilisation d'un maillage raffinée près du sol permet d'améliorer les profils verticaux des champs turbulents en améliorant la prédiction des gradients à l'interface sol/atmosphère. De plus, le profil de couche limite est bien reproduit par les profils du paramètre de structure des fluctuations de l'indice de réfraction de l'air simulé si on compare avec les résultats issus du radar. Globalement, la dynamique des champs turbulents résolus par le modèle reproduise une dynamique et des ordres de grandeurs corrects conformes à nos attentes. Une fois l'évaluation du modèle effectuée, une simulation a été mise en place autour de la campagne d'observation VOTALP située dans le sud de la Suisse. Cette simulation comprend 5 domaines emboités allant de 16 kms de résolution horizontales pour le plus grand domaine à 100m pour le plus petit domaine. L'important dispositif déployé durant la campagne VOTALP située dans une vallée dans le sud de la Suisse a permis de confronter les résultats issus de la modélisation à haute résolution avec ces données d'observation. Les résultats obtenus ont, entre autre, montré que la simulation à haute résolution est un outil adapté pour l'étude des phénomènes de basses couches et notamment la turbulence optique en milieu complexe.