Este trabalho aborda a utilização do método de Lattice Boltzmann como ferramenta de simulação para a área de dinâmica de fluidos. Além disso, apresenta o programa LBSim desenvolvido durante o período de pesquisa, construído para ser flexível e extensível (através do emprego de técnicas de orientação a objetos) e com uma interface gráfica mais amigável do que outros projetos semelhantes. Como resultado deste trabalho, o software LBSim implementa uma série de módulos diferentes que utilizam o método de Lattice Boltzmann como base, permitindo a simulação de casos monofásico, multifásico, multicomponente, com suporte à gravidade, meios porosos, difusão, transferência de calor e paredes deslizantes. / This work approaches the use of the Lattice Boltzmann method as a simulation tool for the fluid dynamics area. Beyond that, it presents the LBSim software, developed during the period of the research and built to be flexible and extensible (through the application of techniques of the object oriented paradigm) and with a graphical interface more friendly than other similar projects. As a result of this work, the LBSim software implements a series of different modules that uses the Lattice Boltzmann method as a base, allowing the simulations of the following cases: monophase, multiphase, multicomponent, with support of gravity, porous media, diffusion, heat transfer and moving walls.

Oriunda da etapa de destilação do caldo do caldo da cana-de-açúcar, a vinhaça é um subproduto da produção de etanol. Apesar de seu difundido uso na agricultura canavieira como fertirrigação, sua disposição no solo tem sido questionada quanto a possíveis riscos ambientais. Uma destinação alternativa à vinhaça e seu tratamento anaeróbio, considerado bastante atrativo haja vista a possibilidade de recuperação de energia na forma de biogás, sem interferir em suas qualidades como biofertilizante. Entre os sistemas de tratamento anaeróbios, os reatores de leito fixo têm sido amplamente utilizados devido à sua estabilidade operacional. A modelagem abrangente destes tipos reatores tende a ser complexa de forma que o estudo dos escoamentos em seu interior do reator é vital. Neste contexto, o objetivo deste trabalho foi analisar e simular numericamente a hidrodinâmica de reator de leito fixo de fluxo ascendente tipo APBR (anaerobic packed bed reactor). Em termos gerais, os resultados obtidos por simulação foram confrontados tanto com os correspondentes valores experimentais como com aqueles obtidos a partir dos modelos uniparamétricos comumente usados para representar reatores não ideais. Para tanto, foram empregados dados pré-existentes de ensaios hidrodinâmicos conduzidos no início e no final da operação, com biorreator alimentado com solução-traçador na forma de degrau a vazões de 4,6 L/dia e 2,3 L/dia. Foram considerados os modelos de dispersão de pequena e grande intensidade bem como o modelo de tanques agitados em série. Quanto às simulações numéricas, foi usado o software de CFD (fluidodinâmica computacional)COMSOL Multiphysics ® 4.3b.As curvas DTR obtidas via simulação e com base nos modelos para reatores não ideais foram confrontadas com as curvas obtidas experimentalmente. Para o reator operando com vazão de 2,3 L/dia, nenhum dos modelos propostos mostrou-se adequado quanto ao final da operação, em razão da incapacidade em representar o surgimento de picos de concentração que podem estar associados ao acúmulo de biomassa no interior do biorreator, mas também ao tipo de traçador utilizado para a realização do experimento. As demais curvas DTR sugerem que o reator em questão aproxima-se do tipo pistonado. O simulador CFD representou de forma bem adequada os dados experimentais em comparação com resultados obtidos a partir dos modelos para reatores não ideais. A simulação numérica de biorreatores para tratamento de efluentes mostrou-se, pois, capaz de fornecer informações mais detalhadas e precisas, geralmente úteis a engenharia do processo. Adicionalmente, foi implementado um simulador com base no método de Boltzmann em rede (lattice Boltzmann method, LBM) capaz de simular escoamento laminar bidimensional em regime permanente no interior de um canal. No escopo de uma linha de pesquisa em simulação LBM de biossistemas agroindustriais, trata-se de um esforço inicial quanto à simulação LBM da hidrodinâmica de biorreatores para tratamento de efluentes em geral. / Resulting from sugarcane juice distillation, vinasse is a by-product from ethanol industry. Despite its widespread use as fertirrigation at crops, direct deposition of vinasse into soils has raised environmental issues. Alternatively, it may undergo anaerobic treatment, which is very attractive in view of energy recovery as biogas while preserving vinasse quality as biofertilizer. Among anaerobic treatment systems, fixed-bed reactors come forward due to their operational stability. Their comprehensive modeling is prone to be complex so that the study of fluid flows prevailing inside is fundamental. Accordingly, the goal of this work was to numerically analyze and simulate the hydrodynamics within a particular upflow fixedbed reactor, namely anaerobic packed bed reactor. In general, results from simulations were compared with experimental counterparts as well as against results from well-known single-parameter models for non-ideal reactors. Existing data from hydrodynamic tests were then used, concerning operation at both start-up and shut-down and bioreactor stepwise feeding with tracer solution flow at 4,6 L/day and 2,3 L/day. Non-ideal reactor models comprised either low or high-dispersion together with continuous stirred-tank reactor model while COMSOL Multiphysics ® 4.3b CFD (computational fluid dynamics) software was employed for simulations. Retention time distribution (RTD) curves from simulations and from model calculations were compared to experimental ones. For operation at 2,3 L/day flow, no models proved to be suitable as far as shut-down operation is concerned, due to biomass accumulation inside the bioreactor. Remaining RTD curves suggested that reactor behavior resembles plug-flow type. Compared to non-ideal reactor models, CFD simulations proved to properly reproduce experimental data while being able to provide detailed and accurate information for process engineering towards effluent treatment. Furthermore, a numerical simulator was implemented as based on the lattice Boltzmann method (LBM) in order to deal with two-dimensional steady-state laminar flow inside a channel. As part of research work on LBM simulation of agroindustrial biosystems, aforesaid simulator contributed to LBM simulation of hydrodynamics within bioreactors for wastewater treatment in general.

Submitted by Renata Lopes (renatasil82@gmail.com) on 2017-03-06T20:24:42Z No. of bitstreams: 1 joventinodeoliveiracampos.pdf: 3604904 bytes, checksum: aca8053f097ddcb9d96ba51186838610 (MD5) / Approved for entry into archive by Adriana Oliveira (adriana.oliveira@ufjf.edu.br) on 2017-03-06T20:27:39Z (GMT) No. of bitstreams: 1 joventinodeoliveiracampos.pdf: 3604904 bytes, checksum: aca8053f097ddcb9d96ba51186838610 (MD5) / Made available in DSpace on 2017-03-06T20:27:39Z (GMT). No. of bitstreams: 1 joventinodeoliveiracampos.pdf: 3604904 bytes, checksum: aca8053f097ddcb9d96ba51186838610 (MD5) Previous issue date: 2015-06-26 / CAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / Este trabalho apresenta o método de lattice Boltzmann (MLB) para simulações computacionais da atividade elétrica cardíaca usando o modelo monodomínio. Uma implementação otimizada do método de lattice Boltzmann é apresentada, a qual usa um modelo de colisão com múltiplos parâmetros de relaxação conhecido como multiple relaxation time (MRT), para considerar a anisotropia do tecido cardíaco. Com foco em simulações rápidas da dinâmica cardíaca, devido ao alto grau de paralelismo presente no MLB, uma implementação que executa em uma unidade de processamento gráfico (GPU) foi realizada e seu desempenho foi estudado através de domínios tridimensionais regulares e irregulares. Os resultados da implementação para simulações cardíacas mostraram fatores de aceleração tão altos quanto 500x para a simulação global e para o MLB um desempenho de 419 mega lattice update per second (MLUPS) foi alcançado. Com tempos de execução próximos ao tempo real em um único computador equipado com uma GPU moderna, estes resultados mostram que este trabalho é uma proposta promissora para aplicação em ambiente clínico. / This work presents the lattice Boltzmann method (LBM) for computational simulations of the cardiac electrical activity using monodomain model. An optimized implementation of the lattice Boltzmann method is presented which uses a collision model with multiple relaxation parameters known as multiple relaxation time (MRT) in order to consider the anisotropy of the cardiac tissue. With focus on fast simulations of cardiac dynamics, due to the high level of parallelism present in the LBM, a GPU parallelization was performed and its performance was studied under regular and irregular three-dimensional domains. The results of our optimized LBM GPU implementation for cardiac simulations shown acceleration factors as high as 500x for the overall simulation and for the LBM a performance of 419 mega lattice updates per second (MLUPS) was achieved. With near real time simulations in a single computer equipped with a modern GPU these results show that the proposed framework is a promising approach for application in a clinical workflow.

Le travail présenté dans ce mémoire de thèse porte sur la modélisation discrète de l’évolution régressive du front d’un conduit d’érosion qui peut se produire dans les barrages ou digues en remblai. Des outils numériques ont été développés en se basant sur le couplage entre la méthode des éléments discrets (DEM) et la méthode de Boltzmann sur réseau (LBM) pour la description, respectivement, des phases solide et fluide. L’implémentation de la méthode DEM suit une approche standard de type dynamique moléculaire (DM) et les interactions intergranulaires sont modélisées par des contacts unilatéraux visco-élastiques frottants ou bilatéraux (ponts solides) viscoélastiques, afin de permettre la modélisation d’un sol légèrement cohésif. La méthode LBM est implémentée ici avec des temps de relaxation multiples (MRT) et une condition de rebondissement interpolée pour les frontières solides en mouvement, afin d’améliorer la stabilité numérique des calculs. Le schéma du couplage entre les deux méthodes, ainsi que les critères pour le choix des paramètres numériques des deux méthodes. Pour étudier le phénomène visé, un échantillon représentatif de sol granulaire situé au front d’un conduit d’érosion est d’abord assemblé par une procédure de préparation “à sec”, puis testé dans des conditions saturées sous un chargement hydraulique monotone croissant. L’érosion régressive se produit par amas de grains au niveau du front d’érosion ayant subi au préalable une dégradation due à de nombreuses ruptures de ponts solides en traction. L’autre phénomène important observé est la présence d’arcs associés a` des chaines de forces en compression qui parviennent à maintenir parfois totalement, parfois partiellement l’intégrité du matériau non érodé. / The work reported in this thesis consists in a discrete modelling of the backward front propagation of an erosion pipe, as can take place in embankment dams or dikes. Some numerical tools have been developed to this end, based on the coupling between the Discrete Element Method (DEM) and the Lattice Boltzmann Method (LBM) for the representation of the solid and uid phases, respectively. The implementation of DEM follows a standard molecular dynamics approach and the interaction among grains are regulated by unilteral frictional visco-elastic and breakable visco-elastic bonds, in order to take into account a slightly cohesive soil behaviour. The LBM was implemented according to the Multiple Relaxation Time (MRT) scheme along with an interpolated non-slip conditions for moving boundaries, in order to improve the numerical stability of the calculations. The coupling scheme is described along with the criteria for the numerical parameters of the two methods. A representative specimen of a granular soil located at the front of an erosion pipe is first assembled by a \dry" preparation precedure and then tested under fully-saturated conditions and increasing hydraulic load over time. Backward erosion is takes place in the form of clusters of grain being eroded at the erosion front after a degradation of the material due to the breakage of tensile bonds. The other interesting feature that was observed is the creation of arches of compressive force chains. These arches enabled the specimen to maintain a stable or metastable configuration under the increasing hydraulic load.

Le coefficient d'électrofiltration est simulé par méthode Lattice Boltzmann dans un chenal 2-D sur une grande gamme de salinité. L'influence de la permittivité et de la viscosité est discutée. La validité de l'équation d'Helmholtz Smoluchowski à de forts potentiels zeta est évaluée. Un modèle de conductivité intrinsèque est développé en prenant en compte les variations locales de conductivité, qui ont un impact significatif en la présence d'espèces polyvalentes. Étendu aux conditions non saturées, l'algorithme montre que la densité de charge électrique associée à l'interface eau-air est une composante clé. Le coefficient présente une attitude non monotone, avec une augmentation par rapport à l'état saturé. L'amplitude de cette augmentation dépend de l'état dynamique des bulles, mobiles ou piégées. L'aspect transport multiphasique est complété par une étude numérique de l'impact de la forme des échantillons sur la mesure des lois reliant saturation et pression capillaire en hydrologie. / The electrokinetic coefficient is simulated in a large range of salinities using the Lattice Boltzmann method in a 2-D channel. The effect of permittivity and viscosity is discussed. The validity of the Helmholtz Smoluchowski equation using strong zeta potentials is assessed. A model of bulk fluid conductivity is derived, taking into account the local variations of conductivity which have a significant impact in the presence of polyvalent counterions. Extended to unsaturated conditions, the model shows that the electrical charge density associated to the air-water interface is a key component. The coefficient shows a non monotonous behaviour, with an enhancement compared to the saturated state. The magnitude of this enhancement depends on the dynamic state of the bubbles, moving or entrapped. The multiphase transport aspect is associated to a numerical study of the influence of the sample geometry on the measurement of the capillary pressure / saturation relationships used in hydrology.

La simulation numérique de l’écoulement des fluides et du transfert dechaleur dans les phénomènes multi-échelles est encore très difficile avecles méthodes numériques conventionnelles, e.g. la méthode de Volumes Finis(FVM) etc. Récemment développée pour simuler les écoulements desfluides, le transfert de chaleur et des phénomènes physiques complexes, laméthode de Lattice Boltzmann (LBM) est basée sur la théorie cinétiquedu fluide, qui possède de nombreuse caractéristiques distinctives. Afind’élargir le champ d’application de LBM, cette thèse doctorale a mené destravaux de recherches systématiques sur la combinaison entre LBM et lesméthodes macroscopiques et sur les modèles thermiques et la simulation dela turbulence en utilisant LBM. Les principales contributions de cette thèsesont: 1. Un couplage multi-échelles LBM-FVM est construit pour les écoulementsdu fluide instationnaire et un opérateur de reconstruction g´en´erale entreLBM et FVM est proposé pour le transfert de l’information; 2. Un modèle thermique 3D de LBM est développé pour les écoulements compressibles thermiques à faible nombre de Mach, et un modèle de LBM entièrement compressible avec factorisation symétrique est proposé pour simuler les écoulements fortement compressibles; 3. Un schéma asymptotique de volumes finis LBM et un schéma de LBM basé sur propagation fractionnaire et collision à demi-étape sont proposés pour simuler les écoulements subsoniques à grande vitesse et transsoniques; 4. La simulation des grandes échelles (LES) turbulentes est effectuée et étudiée dans le cadre de LBM thermique. Un modèle de paroi utilisant LBM thermique est développé pour un écoulement à nombre de Reynolds élevé. / The simulation of fluid flows and heat transfer of multiscale phenomena orprocesses is one of the most challenging domains from the theoretical aswell as the numerical modeling point of view. It is difficult to model andsimulate multiscale problems using conventional computational fluid dynamicsmethods. As an approach based on the mesoscopic kinetic equationfor fluids and has many distinctive features, the lattice Boltzmann method(LBM) is a recently developed method for simulating fluid flows, heat transferand complicated physical phenomena. However, the applications of latticeBoltzmann method in actual multiscale problem are still in explorationstage. In order to enlarge the application scope of lattice Boltzmann methodfor multiscale simulation, the present work has conducted systematic researchon combination of LBM and macroscopic methods, thermal lattice Boltzmann models and turbulence simulation using LBM. The major contributions of this dissertation are summarized as follows: 1. A multiscale coupling LBM-FVM is constructed for unsteady fluid flows and a general reconstruction operator between LBM and FVMis proposed for information transfer. 2. A three-dimensional thermal lattice Boltzmann model is developed for thermal compressible flows with variable density in low Machnumber limit. Further more, a fully compressible lattice Boltzmann model with factorization symmetry is proposed for simulating high compressible flow. 3. An asymptotic preserving finite volume scheme LBM and a fractional propagation half step collision LBM are proposed for simulating high subsonic and transonic flows. 4. Large eddy simulation for turbulence is studied in framework of thermallattice Boltzmann method. Wall modeled LES using thermalLBM is developed for high Reynolds number flow.

The main purpose of this thesis was to propose and test a new approach that captures the features of single and multiple bubbles dynamics using the Shan and Chen-type lattice Boltzmann method (LBM). Two dimensional bubbles motions were simulated considering the buoyancy effect for which the topology of the bubble is characterized by the Eötvös (Eo), and Morton (M) numbers. A qualitative and quantitative validation were performed using the Level set method. Bubble shape deformation was captured and analysis based on terminal Reynolds number and degree of circularity show very good agreement with the experimental results and with available simulation results. In sum, this study presents crucial preliminary information to further analyze multiphase fluid flows in various contexts.

Le développement des énergies renouvelables passe par l’exploitation de nouvelles sources d’énergie. La filière hydrolienne, dédiée à la récupération de l’énergie des courants de marée, est proche de l’industrialisation. Cependant, les conditions hydrodynamiques turbulentes des sites hydroliens sont encore mal connues. Cette thèse propose d’examiner à l’échelle locale l’effet des rugosités du fond marin sur la génération de tourbillons hautement énergétiques par la simulation numérique en mécanique des fluides de type méthode de Boltzmann sur réseau. Cette méthode est particulièrement adaptée à la simulation d’écoulements instationnaires sur un domaine de simulation complexe. Dans un premier temps, les phénomènes physiques de détachements tourbillonnaires sur des macro-rugosités canoniques sont décrits. L’appariement de structures tourbillonnaires est mis en évidence dans le processus de formation de tourbillons hautement énergétiques. Dans un deuxième temps, la simulation permet d’observer de tels phénomènes dans le cas d’écoulements environnementaux intégrant une bathymétrie réelle. Ces simulations, validées par rapport à des mesures in situ, mènent à une meilleure compréhension des effets du fond marin sur la turbulence en milieu hydrolien. En particulier, l’importance des failles géologiques dans la génération de turbulence dans la zone d’étude est mise en évidence. / Renewable energy development calls for exploitation of new energy resources. Tidal stream power harvesting is now close to the industrialisation step. Still, turbulent hydrodynamic conditions at tidal sites are not well understood. This thesis aims to investigate the local scale effect of sea bottom roughnesses on energetic vortex generation with computational fluid simulations using the lattice Boltzmann method. This method is highly indicated for unsteady flow simulations of complex domains. First, the physical phenomena involved in vortex emission around canonical macroroughnesses are described. Vortex merging is identified in the generation process of energetic vortices. Then, such physical events are reproduced in the case of environmental flow simulations using a real seabed morphology. These simulations are validated on in situ measured data, and lead to a better understanding of the sea bottom effect on tidal stream site turbulence. They demonstrate the role of geological faults on the local turbulence.

This thesis aims to explore possible implementations and optimizations of the lattice-Boltzmann method. This method allows modeling of fluid flow using a simulation of fictive particles. The thesis focuses on possible improvements of the existing tool HemeLB which  is designed and optimized for bloodflow modeling. Several vectorization and paralellization approaches that could be included in this tool are explored. An application focused on comparing chosen algorithms including optimizations for the lattice-Boltzmann method was implemented as a part of the thesis. A group of tests focused on comparing this algorithms according to performance, cache usage and overall memory usage was performed. The best performance achieved was 150 millions of lattice site updates per second.

An attempt to numerically predict flow rate of experimental configuration of orifices in transition between molecular and viscous flow regime is described in detail. Discretization of Boltzmann kinetic equation known as lattice-Boltzmann method is derived and applied unfortunately with very little connection to the original experimental problem due to nearly supersonic nature of the experimental setup. Current quite unsatisfactory state of the art of compressible lattice-Boltzmann method is also presented.