Doctoral thesis deals with the numerical simulations of two-phase flows, especially with prediction of movement of dispersed phase (particles) carried by fluid. The Euler-Lagrange approach was applied for description of the system fluid-particles. It means that the fluid is considered to be continuum and its movement is described using Euler approach. Particles are regarded as mass points and their movement is solved using Lagrangian approach. The Large Eddy Simulation method was adopted for solution of the fluid flow. The series of simulations of the backward-facing step flow laden with particles were performed. The concentration of the particles in the flow was high enough for consideration of the influence of particles on the turbulence of the carrier phase. The developed scheme for generation of turbulence on the inlet is applied. The influence of anisotropic decomposition of subgrid energy on movement of particles was studied in the frame of this work.

L'optimisation des systèmes d'allumage est un paramètre critique pour la définition des foyers de combustion industriels. Des simulations aux grandes échelles (ou LES pour Large-Eddy Simulation) d'un brûleur de type bluff-body non pré-mélangé ont été menées afin de comprendre l'influence de la position de la bougie sur la probabilité d'allumage. La prise en compte de la combustion est basée sur une méthode de tabulation de la chimie détaillée (PCM-FPI pour Presumed Conditional Moments - Flame Prolongation of ILDM). Les résultats de ces simulations ont été confrontés des résultats expérimentaux disponibles dans la littérature. Dans un premier temps, les mesures de vitesse et du champ de richesse à froid sont comparées aux résultats de la simulation pour évaluer les capacités de prédiction en terme de structure de l'écoulement et de mélange turbulent. Un suivi temporel des vitesses et de la fraction de mélange est réalisé à différents points pour déterminer les fonctions de densité de probabilité (ou PDF)des variables caractéristiques de l'écoulement, à partir des champs résolus en LES. Les PDFs ainsi obtenues servent l'analyse des phénomènes d'allumages réussis ou déficients rencontrés expérimentalement. Des simulations d'allumage forcé ont été effectuées pour analyser les différents scénarios de développement de la flamme. Les corrélations entre les valeurs locales (fraction de mélange, vitesse) autour de la position d'allumage et les chances de succès de développement du noyau de gaz brûlés sont alors discutées. Enfin, une extension de la méthode PCM-FPI avec prise en compte des effets d'étirement est développée à l'aide d'une analyse asymptotique, puis confrontée aux résultats de mesures expérimentales. / The optimization of the ignition process is a crucial issue in the design of many combustion systems. Large eddy simulation (LES) of a conical shaped bluff-body turbulent non-premixed burner has been performed to study the impact of spark location on ignition success. The chemistry part of the simulation is done using tabulated detailed chemistry approach. This burner was experimentally investigated by Ahmed et al at Cambridge (UK). The present work focuses on the case without swirl for which detailed measurements are available. First, cold fkow measurements of velocities and mixture fraction are compared with their LES counterparts, to assess the prediction capabilities of simulations in terms of flow and turbulent mixing. Time history of velocities and mixture fraction are recorded at selected spots, to probe the resolved probability density function (pdf) of flow variables, in an attempt to reproduce, from the knowledge of LES resolved instantaneous flow conditions, the experimentally observed reasons of success or failure of spark ignition. A flammability map is also constructed from the resolved mixture fraction pdf and compared with its experimental counterpart. LES of forced ignition is then performed using flamelet fully detailed tabulated chemistry combined with presumed pdfs (PCM-FPI). Various scenarios of flame kernel development are analyzed and correlated with typical flow conditions observed in this burner. The correlations between velocities and mixture fraction values at the sparking time and the success or failure of ignition are then further discussed and analysed. The rate of flame development during successful or unsuccessful ignition events are analysed and compared against experimental observations. Finally, from asymptotic flame analysis, a novel approach has been proposed to include flame straining effects in the PCM-FPI method developped at CORIA-CNRS. The new model overcomes the problem associated with classical PCM-FPI closure to model kernel quenching due to intense local turbulence. Computations are done including the flame straining effects and the effect brought by the new model on kernel development is analysed in detail.

Cette thèse est consacrée à la simulation du mélange de scalaires passifs à grand nombre de Schmidt (faible diffusion), au moyen d’un modèle de sous-maille structurel pour la Simulation aux Grandes Echelles (LES pour Large Eddy Simulation) reposant sur le caractère multifractal des champs de gradient en turbulence. L’analyse multifractale des champs de dissipation scalaire permet, à l’aide d’une description statistique des singularités, de prendre en compte l’intermittence inhérente à ces champs. Des simulations numériques directes du mélange à différents nombres de Schmidt supérieurs à l’unité sont mises en oeuvre. Une analyse multifractale au moyen de différentes méthodes est menée afin d’obtenir les spectres de singularités de la dissipation scalaire. Une implantation du modèle de sous-maille multifractal pour la vitesse, proposé par Burton et al., est d’abord réalisée dans le code volumes finis YALES2.Une modification du modèle équivalent pour les scalaires, reposant sur une cascade multiplicative pour reconstruire la dissipation scalaire de sous-maille, est proposée afin de prendre en compte le micro-mélange à grand nombre de Schmidt. Ce modèle de sous-maille est alors évalué au moyen de tests a priori. / This thesis is focused on the simulation of turbulent mixing of passive scalars at high Schmidt numbers (low diffusivity). The modeling work is based on a structural subgrid-scale model for Large Eddy Simulation relying on the multifractal nature of gradient fields in turbulence.The multifractal formalism provides a mean to handle the characteristic intermittency of scalar dissipation fields through a statistical description of their singularities. Direct Numerical Simulations of mixing at several Schmidt numbers above unity are run with a dedicated code. Different methods are used to perform a multifractal analysis of scalar dissipation. The multifractal subgrid-scale model of Burton et al. for velocity is implemented in the Finite Volume code YALES2. A modification of the equivalent multifractal model for scalars is proposed to take into account micro-mixing at high Schmidt numbers. The model shows satisfactory results when tested a priori against direct simulations.

La réduction des émissions polluantes des turboréacteurs nécessite une plus grande maîtrise du dimensionnement du système d’injection du mélange air-carburant au sein de la chambre de combustion.L’objectif de la thèse est d’améliorer la compréhension de la dynamique des écoulements swirlés, rencontrés dans les chambres aéronautiques. La simulation aux grandes échelles, qui exploite les super-calculateurs les plus puissants, est devenue un outil d’analyse incontournable. Cependant, la taille des simulations et le volume de données générées rendent difficile l’extraction des phénomènes à grande échelle. A cette fin, de nouvelles méthodes de post-traitement parallèles qui permettent d’accéder à l’évolution temporelle des structures tourbillonnaires dans des géométries complexes sont proposées.Ces méthodes sont appliquées à l’étude de la dynamique de flammes swirlées diphasiques dans lesquelles les structures cohérentes interagissent avec la zone réactive et le brouillard de gouttes. / The reduction of pollutant emissions of aeronautical devices requires to optimize the design of the injection systems in the combustion chamber. The objective of this work is to improve the understandingof the flow dynamics in swirl stabilized burners. Large Eddy Simulation has become a major tool for the analysis of such flows. The steady increase in computational power enables to perform high-fidelity simulations, that generates a large amount of data, making it difficult to extract relevant information regarding the large scale phenomena. To this aim, massively parallel post-processing methods, suited for complex geometries, were developed in order to extract large-scale structures in turbulent flows. These methods were applied to simulations of spray flames in swirl burners, to get a better insight of how the large scale structures interact with the flame topology and the spray dynamics.

Die vorliegende Arbeit beschreibt die Entwicklung des hochauflösenden Atmosphärenmodells ASAMgpu. Dabei handelt es sich um ein sogenanntes Grobstrukturmodell bei dem gröbere Strukturen mit typischen Skalen von Deka- bis Kilometern in der atmosphärischen Grenzschicht explizit aufgelöst werden. Hochfrequentere Anteile und deren Dissipation müssen dabei entweder explizit mit einem Turbulenzmodell oder, wie im Falle des beschriebenen Modells, implizit behandelt werden. Dazu wurde der Advektionsoperator mit einem dissipativen Upwind-Verfahren dritter Ordnung diskretisiert. Das Modell beinhaltet ein Zwei-Momenten-Schema zur Beschreibung mikrophysikalischer Prozesse. Ein weiterer wichtiger Aspekt ist die verwendete thermodynamische Variable, die einige Vorteile herkömmlicher Ansätze vereint. Im Falle adiabatischer Prozesse stellt sie eine Erhaltungsgröße dar und die Quellen und Senken im Falle von Phasenumwandlungen sind leicht ableitbar. Außerdem können die benötigten Größen Temperatur und Druck explizit berechnet werden. Das gesamte Modell wurde in C++ implementiert und verwendet OpenGL und die OpenGL Shader Language (GLSL) um die nötigen Berechnungen auf Grafikkarten durchzuführen. Durch diesen Ansatz können genannte Simulationen, für die bisher Supercomputer nötig waren, sehr preisgünstig und energieeffizient durchgeführt werden. Neben der Modellbeschreibung werden die Ergebnisse einiger erfolgreicher Test-Simulationen, darunter drei Fälle mit mariner bewölkter Grenzschicht mit flacher Cumulusbewölkung, vorgestellt.

Sandstorms are frequently accompanied by intense electric fields and lightning. In a very narrow region close to the ground, sand particles undergo a charge exchange during which larger-sized sand grains become positively charged and smaller-sized sand grains become negatively charged and then all particles become suspended by the turbulent fluid motion. Although the association of intense electric fields with sandstorms has long been observed, the mechanism that causes these intense electric fields has not yet been described. Here, we hypothesize that differently sized sand particles are differentially transported by turbulence in the flow, resulting in a large-scale charge separation and a consequential large-scale electric field. To confirm our hypothesis, we combined a large-eddy simulation framework comprising a turbulent atmospheric boundary layer and movement of sand particles with an electrostatic Gauss law to investigate the physics of the electric fields in sandstorms. We varied the strength of the sandstorm from weak to strong as parametrized by the number density of the entrained sand particles. Our simulations reproduced observational measurements of both mean and root mean squared fluctuation values of the electric field. Our results allowed us to propose a law in which the electric field scales to two-thirds of the power of the concentration of the sand particles in weak-to-medium strength sandstorms. The underlying approach to simulate the solid particle-laden flow is Eulerian-Eulerian in which the particles are characterized by statistical descriptors. To explore the essential physics of the electric field generation in a sandstorm, we model the high-Reynolds-number atmospheric boundary-layer (ABL) using two different canonical turbulent flows: one model is that of a turbulent boundary-layer (TBL), and the second one is that of a turbulent half-channel flow. For the particle phase, the direct quadrature method of moments (DQMOM) is chosen in which the abscissas and weights of the quadrature method are tracked directly. The utilization of this framework is proposed to examine the transport of sand in sandstorms. Furthermore, the physical mechanisms necessary for production and sustenance of large-scale electric fields in sandstorms is investigated.

The present research seeks to advance the understanding and application of Principal Component Analysis (PCA)-based combustion modelling for practical systems application. This work is a consistent extension to the standard PC-transport model, and integrates the use of Gaussian Process Regression (GPR) in order to increase the accuracy and the potential of size reduction offered by PCA. This new model, labelled PC-GPR, is successively applied and validated in a priori and a posteriori studies.In the first part of this dissertation, the PC-GPR model is validated in an a priori study based on steady and unsteady perfectly stirred reactor (PSR) calculations. The model showed its great accuracy in the predictions for methane and propane, using large kinetic mechanisms. In particular, for methane, the use of GPR allowed to model accurately the system with only 2 principal components (PCs) instead of the 34 variables in the original GRI-3.0 kinetic mechanism. For propane, the model was applied to two different mechanisms consisting of 50 species and 162 species respectively. The PC-GPR model was able to achieve a very significant reduction, and the thermo-chemical state-space was accurately predicted using only 2 PCs for both mechanisms.The second part of this work is dedicated to the application of the PC-GPR model in the framework of non-premixed turbulent combustion in a fully three-dimensional Large Eddy Simulation (LES). To this end, an a posteriori validation is performed on the Sandia flames D, E and F. The PC-GPR model showed very good accuracy in the predictions of the three flames when compared with experimental data using only 2 PCs, instead of the 35 species originally present in the GRI 3.0 mechanism. Moreover, the PC-GPR model was also able to handle the extinction and re-ignition phenomena in flames E and F, thanks to the unsteady data in the training manifold. A comparison with the FPV model showed that the combination of the unsteady data set and the best controlling variables for the system defined by PCA provide an alternative to the use of steady flamelets parameterized by user-defined variables and combined with a PDF approach.The last part of this research focuses on the application of the PC-GPR model in a more challenging case, a lifted methane/air flame. Several key features of the model are investigated: the sensitivty to the training data set, the influence of the scaling methods, the issue of data sampling and the potential of a subgrid scale (SGS) closure. In particular, it is shown that the training data set must contain the effects of diffusion in order to accurately predict the different properties of the lifted flame. Moreover, the kernel density weighting method, used to address the issue of non-homogenous data density usually found in numerical data sets, allowed to improve the predictions of the PC-GPR model. Finally, the integration of subgrid scale closure to the PC-GPR model allowed to significantly improve the simulations results using a presumed PDF closure. A qualitative comparison with the FPV model showed that the results provided by the PC-GPR model are overall very comparable to the FPV results, with a reduced numerical cost as PC-GPR requires a 4D lookup table, instead of a 5D in the case of FPV. / Le double défi de l'énergie et du changement climatique mettent en avant lanécessité de développer des nouvelles technologies de combustion, étantdonné que les projections les plus réalistes montrent que la plus grandeaugmentation de l'offre d'énergie pour les décennies à venir se fera à partirde combustibles fossiles. Ceci représente donc une forte motivation pour larecherche sur l'efficacité énergétique et les technologies propres. Parmicelles-ci, la combustion sans flamme est un concept nouvellementdéveloppé qui permet d'obtenir des rendements thermiques élevés avecdes économies de carburant tout en maintenant les émissions polluantes àun niveau très bas. L'intérêt croissant pour cette technologie est égalementmotivé par sa grande flexibilité de carburant, ce qui représente uneprécieuse opportunité pour les carburants à faible valeur calorifique, lesdéchets industriels à haute valeur calorifique et les combustibles à based'hydrogène. Etant donné que cette technologie est plutôt récente, elle estde ce fait encore mal comprise. Les solutions d'une application industriellesont très difficiles à transposer à d'autres. Pour améliorer les connaissancesdans le domaine de la combustion sans flamme, il est nécessaire de menerdes études fondamentales sur ce nouveau procédé de combustion afin defavoriser son développement. En particulier, il y a deux différencesmajeures par rapport aux flammes classiques :d’une part, les niveaux deturbulence rencontrés dans la combustion sans flamme sont rehaussés, enraison des gaz de recirculation, réduisant ainsi les échelles de mélange.D'autre part, les échelles chimiques sont augmentées, en raison de ladilution des réactifs. Par conséquent, les échelles turbulentes et chimiquessont du même ordre de grandeur, ce qui conduit à un couplage très fort.Après un examen approfondi de l'état de l'art sur la modélisation de lacombustion sans flamme, le coeur du projet représentera le développementd'une nouvelle approche pour le traitement de l'interaction turbulence /chimie pour les systèmes sans flamme dans le contexte des simulationsaux grandes échelles (Large Eddy Simulations, LES). Cette approche serafondée sur la méthode PCA (Principal Component Analysis) afin d'identifierles échelles chimiques de premier plan du processus d'oxydation. Cetteprocédure permettra de ne suivre sur la grille LES qu'un nombre réduit descalaires non conservés, ceux contrôlant l'évolution du système. Destechniques de régression non-linéaires seront couplées avec PCA afind’augmenter la précision et la réductibilité du modèle. Après avoir été validégrâce à des données expérimentales de problèmes simplifiés, le modèlesera mis à l'échelle afin de gérer des applications plus grandes, pertinentespour la combustion sans flamme. Les données expérimentales etnumériques seront validées en utilisant des indicateurs de validationappropriés pour évaluer les incertitudes expérimentales et numériques. / Doctorat en Sciences de l'ingénieur et technologie / info:eu-repo/semantics/nonPublished

This thesis deals with turbulent mixing processes occuring in internal combustion engines, when applying exhaust gas recirculation (EGR). EGR is a very efficient way to reduce emissions of nitrogen oxides (NOx) in internal combustion engines. Exhaust gases are recirculated and mixed with the intake air of the engine, thus reducing the oxygen concentration of the combustion gas and the maximum combustion tempera- ture. This temperature decrease results in a reduction of NOx emissions, since NOx is produced at high temperatures.The issue of NOx reduction is of high importance for current engine development (particularly for heavy-duty engines), since NOx is the main cause for smog formation and subject to increasingly stronger emission legislation. One of the practical problems when applying EGR is the non-uniformity of the mixture among and inside the cylinders deteriorating the engine and emission performance.The aim of this work is to develop and assess methods suited for the computation of turbulent mixing processes in engine conditions. More specifically, RANS and LES computations are considered. The flow structures responsible for the mixing are analyzed for two different T-junctions and a six-cylinder Scania engine-manifold. Shortcomings and advantages of the applied mixing models are explained.The main results are, that commonly applied scalar flux models for the RANS framework do not predict correct scalar flux directions. In stationary flow, the applied k-ε-model in combination with a gradient-diffusion-model gives too small mixing rates as compared to LES and experiments. Furthermore, the LES computations of the T-junctions show, that Dean vortices occuring due to the curvature of the flow are broken up and dissipated only a few diameters downstream of the junction. The RANS computations do not predict this break-up, giving fundamentally different flow structures and mixing distributions. In pulsating flow, a resonance between the natural stabilities and the pulsation frequency is found by LES results, which could not be predicted by RANS.Computations of the flow in a Scania intake manifold with generic boundary con- ditions indicate, that inlet pulsations are important for the mixing process and that the smoothing effect of URANS is not adequate for accurate mixing computations. LES, on the other hand, is more promising, since it is able to capture the physics of pulsating flows much better. / QC 20111117

The present thesis deals with a number of challenges in the field of large eddy simulation (LES). These include the performance of subgrid-scale (SGS) models at fairly high Reynolds numbers and coarse resolutions, passive scalar and stochastic modeling in LES. The fully-developed turbulent channel flow is used as the test case for these investigations. The advantage of this particular test case is that highly accurate pseudo-spectral methods can be used for the discretization of the governing equations. In the absence of discretization errors, a better understanding of the subgrid-scale model performance can be achieved. Moreover, the turbulent channel flow is a challenging test case for LES, since it shares some of the common important features of all wall-bounded turbulent flows. Most commonly used eddy-viscosity-type models are suitable for moderately to highly-resolved LES cases, where the unresolved scales are approximately isotropic. However, this makes simulations of high Reynolds number wall-bounded flows computationally expensive. In contrast, explicit algebraic (EA) model takes into account the anisotropy of SGS motions and performs well in predicting the flow statistics in coarse-grid LES cases. Therefore, LES of high Reynolds number wall-bounded flows can be performed at much lower number of grid points in comparison with other models. A demonstration of the resolution requirements for the EA model in comparison with the dynamic Smagorinsky and its high-pass filtered version for a fairly high Reynolds number is given in this thesis. One of the shortcomings of the commonly used eddy diffusivity model arises from its assumption of alignment of the SGS scalar flux vector with the resolved scalar gradients. However, better SGS scalar flux models that overcome this issue are very few. Using the same methodology that led to the EA SGS stress model, a new explicit algebraic SGS scalar flux model is developed, which allows the SGS scalar fluxes to be partially independent of the resolved scalar gradient. The model predictions are verified and found to improve the scalar statistics in comparison with the eddy diffusivity model. The intermittent nature of energy transfer between the large and small scales of turbulence is often not fully taken into account in the formulation of SGS models both for velocity and scalar. Using the Langevin stochastic differential equation, the EA models are extended to incorporate random variations in their predictions which lead to a reasonable amount of backscatter of energy from the SGS to the resolved scales. The stochastic EA models improve the predictions of the SGS dissipation by decreasing its length scale and improving the shape of its probability density function. / QC 20110615

The focus of the present licentiate thesis is on the effect of suction and pressure gradients on turbulent boundary-layer flows, which are investigated separately through performing numerical simulations.The first part aims at assessing history and development effects on adverse pressure-gradient (APG) turbulent boundary layers (TBL). A suitable set-up was developed to study near-equilibrium conditions for a boundary layer developingon a flat plate by setting the free-stream velocity at the top of the domain following a power law. The computational box size and the correct definition of the top-boundary condition were systematically tested. Well-resolved large-eddy simulations were performed to keep computational costs low. By varying the free-stream velocity distribution parameters, e.g. power-law exponent and virtual origin, pressure gradients of different strength and development were obtained. The magnitude of the pressure gradient is quantified in terms of the Clauser pressure-gradient parameter β. The effect of the APG is closely related to its streamwise development, hence, TBLs with non-constant and constant β were investigated. The effect was manifested in the mean flow through a much more pronounced wake region and in the Reynolds stresses through the existence of an outer peak. The terms of the turbulent kinetic energy budgets indicate the influence of the APG on the distribution of the transfer mechanism across the boundary layer. Stronger and more energetic structures were identified in boundary layers with relatively stronger pressure gradients in their development history. Due to the difficulty of determining the boundary-layer thickness in flows with strong pressure gradients or over a curvedsurface, a new method based on the diagnostic-plot concept was introduced to obtain a robust estimation of the edge of a turbulent boundary layer. In the second part, large-eddy simulations were performed on temporally developing turbulent asymptotic suction boundary layers (TASBLs). Findings from previous studies about the effect of suction could be confirmed, e.g. the reduction of the fluctuation levels and Reynolds shear stresses. Furthermore, the importance of the size of the computational domain and the time development were investigated. Both parameters were found to have a large impact on the results even on low-order statistics. While the mean velocity profile collapses in the inner layer irrespective of box size and development time, a wake region occurs for too small box sizes or early development time and vanishes once sufficiently large domains and/or integration times are chosen. The asymptotic state is charactersized by surprisingly thick boundary layers even for moderateReynolds numbers Re (based on free-stream velocity and laminar displacement thickness); for instance, Re = 333 gives rise to a friction Reynolds number Reτ = 2000. Similarly, the flow gives rise to very large structures in the outer region. These findings have important ramifications for experiments, since very large facilities are required to reach the asymptotic state even for low Reynolds numbers. / <p>QC 20160418</p>