Submitted by Cássia Santos (cassia.bcufg@gmail.com) on 2017-01-30T09:49:46Z No. of bitstreams: 2 Dissertação - Wanessa Mesquita Godoi Quaresma - 2016.pdf: 2901974 bytes, checksum: fcac435f9dfd087f8402d916a36a5f05 (MD5) license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) / Approved for entry into archive by Luciana Ferreira (lucgeral@gmail.com) on 2017-01-30T10:04:13Z (GMT) No. of bitstreams: 2 Dissertação - Wanessa Mesquita Godoi Quaresma - 2016.pdf: 2901974 bytes, checksum: fcac435f9dfd087f8402d916a36a5f05 (MD5) license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) / Made available in DSpace on 2017-01-30T10:04:13Z (GMT). No. of bitstreams: 2 Dissertação - Wanessa Mesquita Godoi Quaresma - 2016.pdf: 2901974 bytes, checksum: fcac435f9dfd087f8402d916a36a5f05 (MD5) license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) Previous issue date: 2016-07-06 / Conselho Nacional de Pesquisa e Desenvolvimento Científico e Tecnológico - CNPq / This work deals with the study of the concrete mechanical behavior using a two-dimensional numerical modeling in mesoscopic scale. The material is considered to be composed of three phases consisting of the interface zone matrix and inclusions, where each constituent is modeled properly. In the representative volume element (RVE) inclusions of as various shapes and randomly arranged are considered. The interface zone is modeled by finite elements where a model of fracture and contact recently proposed is incorporated. On the other hand, the transition zone is modeled by triangular finite elements where the Mohr-Coulomb model with lower strength characteristics compared to the mortar, is used. Inclusion is modeled as a linear elastic material and the matrix is considered as elastoplastic materials governed by the Mohr-Coulomb model. Our main goal is to show that a formulation based on computational homogenization is an alternative to complex macroscopic constitutive models for the mechanical behavior of brittle materials using a procedure based on the Finite Element Method and a multiscale theory. Examples changing the form of aggregate, their volume fraction and distribution in RVE, as well as various strategies for modeling the transition zone are shown to illustrate the performance of the proposed model. The results evidence that the proposed modeling leads to are promising results for employment in a multiscale modeling. Also, this work shows the importance of parametric identification of fracture and contact model in the microstructural analysis of concrete. / Este trabalho trata do estudo do comportamento mecânico do concreto utilizando uma proposta de modelagem numérica bidimensional em escala mesoscópica. O material é considerado como composto por três fases consistindo de zona de interface, matriz e inclusões, onde cada constituinte é modelado adequadamente. O Elemento de Volume Representativo (EVR) consiste de inclusões idealizadas como de várias formas e aleatoriamente dispostas no EVR. Uma das abordagens permite que a zona de interface seja modelada por meio de elementos finitos coesivos de contato, onde um modelo de fratura e contato recentemente proposto é incorporado ao elemento. Por outro lado, a zona de transição pode ser modelada por elementos finitos triangulares onde o modelo de Mohr- Coulomb com características de menor resistência em relação à argamassa, é utilizado. A inclusão é modelada como sendo um material elástico linear, já a matriz é considerada como material elastoplástico obedecendo ao modelo de Mohr-Coulomb. O principal objetivo é mostrar que uma formulação baseada na homogeneização computacional é uma alternativa aos modelos constitutivos macroscópicos complexos para o comportamento mecânico de matérias frágeis usando um procedimento baseado no Método dos Elementos Finitos no âmbito de uma teoria multiescala. Uma série de exemplos envolvendo a mudança de forma de agregados, sua fração volumétrica e sua distribuição no EVR, assim como diferentes estratégias de modelagem da zona de transição, é apresentada de modo a ilustrar a performance da modelagem proposta. Os resultados encontrados evidenciam que as modelagens propostas apresentam resultados promissores para o emprego numa modelagem multiescala. Também, este trabalho mostra a importância da identificação paramétrica do modelo de fratura e contato na análise microestrutural do concreto.

Les systèmes informatiques sont des systèmes de plus en plus complexes, répartis sur plusieurs niveaux d’infrastructures des Technologies de l’Information et de la Communication (TIC). Ces systèmes sont parfois appelés des systèmes répartis multiéchelles. Le terme « multiéchelle » peut qualifier des systèmes répartis extrêmement variés suivant les points de vue dans lesquels ils sont caractérisés, comme la dispersion géographique des entités, la nature des équipements qui les hébergent, les réseaux sur lesquels elles sont déployées, ou encore l’organisation des utilisateurs. Pour une entité d’un système multiéchelle, les technologies de communication, les propriétés non fonctionnelles (en termes de persistance ou de sécurité), ou les architectures à favoriser, varient suivant la caractérisation multiéchelle pertinente définie ainsi que l’échelle à laquelle est associée l’entité. De plus, des architectures ad hoc de tels systèmes complexes sont coûteuses et peu durables. Dans cette thèse, nous proposons un framework de caractérisation multiéchelle, appelé MuSCa. Ce framework inclut un processus de caractérisation fondé sur les concepts de points de vue, dimensions et échelles, permettant de mettre en avant, pour chaque système complexe étudié, ses caractéristiques multiéchelles. Ces concepts constituent le cœur d’un métamodèle dédié. Le framework que nous proposons permet aux concepteurs de systèmes répartis multiéchelles de partager une taxonomie pour qualifier chaque système. Le résultat d’une caractérisation est un modèle à partir duquel le framework produit des artefacts logiciels qui apportent, à l’exécution, la conscience des échelles aux entités du système / Computer systems are becoming more and more complex. Most of them are distributed over several levels of Information and Communication Technology (ICT) infrastructures. These systems are sometimes referred to as multiscale systems. The word “multiscale” may qualify extremely various distributed systems according to the viewpoints in which they are characterized, such as the geographic dispersion of the entities, the nature of the hosting devices, the networks they are deployed on, or the users’ organization. For one entity of a multiscale system, communication technologies, non-functional properties (in terms of persistence or security) or architectures to be favored may vary depending on the relevant multiscale characterization defined for the system and on the scale associated to the entity. Moreover, ad hoc architectures of such complex systems are costly and non-sustainable. In this doctoral thesis, we propose a multiscale characterization framework, called MuSCa. The framework includes a characterization process based on the concepts of viewpoints, dimensions and scales, which enables to put to the fore the multiscale characteristics of each studied system. These concepts constitute the core of a dedicated metamodel. The proposed framework allows multiscale distributed systems designers to share a taxonomy for qualifying each system. The result of a characterization is a model from which the framework produces software artifacts that provide scale-awareness to the system’s entities at runtime

The Bonneville Basin encompasses an area that was covered by ancient Lake Bonneville and which today lies within the Great Basin province. The Bonneville Basin is distinguished geologically by its characteristic parallel north-south mountain ranges that are separated by broad, alluviated desert basins and valleys. Benches and other shoreline features of ancient Lake Bonneville prominently mark the steep, gravelly slopes of these ranges. Numerous artesian desert springs are present at the base of the mountains and in the valley floors that form various sizes of both isolated wetlands and wetland complexes. Many these wetlands are some of the most unique and currently some of the most threatened wetlands in the United States. Several aquatic species and communities have maintained an existence as relict populations and communities in these wetlands since the receding of Lake Bonneville over 10,000 years ago. For example, Hershler has described 58 previously undescribed species of hydrobiid snails, 22 of which are endemic to single locations. Like hydrobiid snails, numerous other species, such as the least chub, Iotichthys phlegethontis and the Columbia spotted frog, Rana luteioventris, depend on these wetlands for their continued existence, many of which are already imperiled. The continued decline and loss of these wetlands would further push many of these species toward endangerment and/or extinction. Several factors have already eliminated or altered many of these habitats including capping and filling,water depletions, agricultural practices, livestock grazing, and introduction of nonnative species. In recent years, the significant loss and degradation of wetlands resulting in sensitive species designations have provided impetus for resource agencies to develop and implement management plans to conserve and protect these vital ecosystems. One problem facing appropriate management is the lack of biological information for determining which wetlands should receive protection priorities based on the presence of viable, functioning characteristics. The purpose of this dissertation project was to obtain biological information needed to support defensible decisions concerning conservation, protection, acquisition, restoration, and mitigation of the artesian springs in the Bonneville Basin. The primary objectives of this project were to 1) Develop bioassessment procedures for artesian wetlands of the Bonneville Basin using macroinvertebrates and 2) Determine patterns of community composition and diversity for macroinvertebrates and metaphyton algae at multiple scales in Bonneville Basin artesian wetlands.

Les matériaux granulaires présentent une large gamme de lois de comportement lorsqu'ils sont soumis à différents chemins de chargement. Le développement de modèles constitutifs permettant de rendre compte de ces caractéristiques a été une préoccupation constante de nombreux chercheurs depuis des décennies. Parmi les différentes options possibles, les approches par changement d’échelle semblent prometteuses. Dans ces approches, le modèle constitutif est formulé en reliant les propriétés macroscopiques du matériau aux propriétés micro-structurelles correspondantes.Cette thèse propose un modèle micromécanique tridimensionnel (le modèle H-3D) prenant en compte une échelle intermédiaire (méso-échelle). Il permet ainsi de décrire de manière naturelle un grand nombre de caractéristiques constitutives des matériaux granulaires non cohésifs. La comparaison entre essais expérimentaux et simulations numériques révèle la capacité prédictive de ce modèle. En particulier, des simulations réalisées avec différentes pressions de confinement et différents rapports de vide initiaux ont permis de démontrer la capacité du modèle à rendre compte quantitativement de l'état critique sans nécessiter d’équation spécifique et de paramètre d'état critique. Le modèle est également analysé à l’échelle microscopique, où l'évolution de certains paramètres microscopiques clés est présentée.Une approche multi-échelle 3D est ensuite présentée afin d’étudier le comportement mécanique d'un échantillon macroscopique constitué d'un assemblage granulaire, en tant que problème aux conditions limites. Le cœur de cette approche est un couplage multi-échelle, où la méthode des éléments finis est utilisée pour résoudre le problème aux conditions limites et le modèle H-3D est utilisé pour calculer la loi de comportement à l’échelle d’un volume élémentaire représentatif. Cette approche fournit un moyen pratique de relier les observations macroscopiques avec les mécanismes microscopiques intrinsèques. Des conditions de chargement biaxiaux en déformations planes sont appliquées pour simuler le phénomène de localisation des déformations. Une série de tests est effectuée, où différents motifs de rupture sont observés et analysés. Un système de bande de cisaillement apparaît naturellement dans un spécimen initialement homogène. En définissant la zone de la bande de cisaillement, les mécanismes microstructuraux sont étudiés séparément à l'intérieur et à l'extérieur de celle-ci. En outre, une analyse directionnelle de travail du second ordre est effectuée en appliquant des petits incréments de contrainte à différents états de contrainte-déformation sur des chemins de chargement biaxiaux drainés. Le travail de second ordre normalisé, introduit comme un indicateur d’instabilité du système, est analysé non seulement à l’échelle macroscopique mais aussi à l’échelle microscopique.Enfin, une analyse du travail de second ordre appliquée à des problèmes géotechniques et utilisant l'approche multi-échelle développée dans cette thèse est présentée. L'approche multi-échelle est utilisée afin de simuler des problèmes aux conditions limites homogènes et non homogènes, offrant ainsi la possibilité d’interpréter et de comprendre les micro-mécanismes qui à l’origine des phénomènes de rupture dans les problèmes géotechniques. Cette approche multi-échelle utilise un schéma numérique d’intégration dynamique-explicite afin de pouvoir étudier la rupture post-pic sans avoir à recourir à des outils mathématiques trop sophistiqués. Ainsi, en changeant le type de condition de chargement de déplacement à contrainte lorsque le système atteint son état limite, son effondrement se traduit par une augmentation soudaine de l'énergie cinétique découlant de la différence entre les travaux internes et externes du second ordre. / Granular materials exhibit a wide spectrum of constitutive features when submitted under various loading paths. Developing constitutive models which succeed in accounting for these features has been challenged by scientists for decades. A promising direction for achieving this can be the multi-scale approach. Through this approach, the constitutive model is formulated by relating material’s macroscopic properties to their corresponding microstructure properties.This thesis proposes a three-dimensional micro-mechanical model (the so-called 3D-H model) taking into account an intermediate scale (meso-scale) which makes it possible to describe a variety of constitutive features in a natural way. The comparison between experimental tests and numerical simulations reveals the predictive capability of this model. Particularly, several simulations are carried out with different confining pressures and initial void ratios, based on the fact that the critical state is quantitatively described without requiring any critical state formulations and parameter. The model is also analyzed from a microscopic view, wherein the evolution of some key microscopic parameters is investigated.Then, a 3D multi-scale approach is presented to investigate the mechanical behavior of a macroscopic specimen consisting of a granular assembly, as a boundary value problem. The core of this approach is a multiscale coupling, wherein the finite element method is used to solve a boundary value problem and the 3D-H model is employed to build the micro constitutive relationship used at a representative volume element scale. This approach provides a convenient way to link the macroscopic observations with intrinsic microscopic mechanisms. Plane-strain biaxial loading conditions are selected to simulate the occurrence of strain localization. A series of tests are performed, wherein distinct failure patterns are observed and analyzed. A system of shear band naturally appears in a homogeneous setting specimen. By defining the shear band area, microstructural mechanisms are separately investigated inside and outside the shear band. Moreover, a second-order work directional analysis is performed by applying strain probes at different stress-strain states along drained biaxial loading paths. The normalized second order work introduced as an indicator of an unstable trend of the system is analyzed not only on the macroscale but also on the microscale.Finally, a second order work analysis in application to geotechnical problems by using the aforementioned multiscale approach is presented. The multiscale approach is used to simulate a homogeneous and a non-homogeneous BVP, opening a road to interpret and understand the micro mechanisms hiding behind the occurrence of failure in geotechnical issues. This multiscale approach utilizes an explicit-dynamic integral method so that the post-peak failure can be investigated without requiring over-sophisticated mathematical ingredients. Thus, by switching the loading method from a strain control to a stress control at the limit state, the collapse of the system can be reflected in an abrupt increase of kinetic energy, stemming from the difference between both internal and external second-order works.

Epithelial-mesenchymal transition (EMT) regulates the cellular processes of migration, growth, and proliferation - as well as the collective cellular process of tissue remodeling - in response to mechanical and chemical stimuli in the cellular microenvironment. Cells of the epithelium form cell-cell junctions with adjacent cells to function as a barrier between the body and its environment. By distributing localized stress throughout the tissue, this mechanical coupling between cells maintains tensional homeostasis in epithelial tissue structures and provides positional information for regulating cellular processes. Whereas in vitro and in vivo models fail to capture the complex interconnectedness of EMT-associated signaling networks, previous computational models have succinctly reproduced components of the EMT program. In this work, we have developed a computational framework to evaluate the mechanochemical signaling dynamics of EMT at the molecular, cellular, and tissue scale. First, we established a model of cell-matrix and cell-cell feedback for predicting mechanical force distributions within an epithelial monolayer. These findings suggest that tensional homeostasis is the result of cytoskeletal stress distribution across cell-cell junctions, which organizes otherwise migratory cells into a stable epithelial monolayer. However, differences in phenotype-specific cell characteristics led to discrepancies in the experimental and computational observations. To better understand the role of mechanical cell-cell feedback in regulating EMT-dependent cellular processes, we introduce an EMT gene regulatory network of key epithelial and mesenchymal markers, E-cadherin and N-cadherin, coupled to a mechanically-sensitive intracellular signaling cascade. Together these signaling networks integrate mechanical cell-cell feedback with EMT-associated gene regulation. Using this approach, we demonstrate that the phenotype-specific properties collectively account for discrepancies in the computational and experimental observations. Additionally, mechanical cell-cell feedback suppresses the EMT program, which is reflected in the gene expression of the heterogeneous cell population. Together, these findings advance our understanding of the complex interplay in cell-cell and cell-matrix feedback during EMT of both normal physiological processes as well as disease progression.

Ce travail de recherche propose un modèle numérique pour simuler les procédés par infusion de résine en utilisant la méthode des éléments finis. Ce modèle permet de représenter l'écoulement d'une résine liquide dans des préformes poreuses subissant de grandes déformations. Dans cette étude, une modélisation macroscopique est utilisée. Au niveau du procédé, une zone de résine liquide est déposée sur les préformes. Ces dernières étant considérées comme un milieu poreux. Les équations de Stokes et de Darcy sont utilisées pour modéliser l'écoulement de la résine respectivement dans le drainant et dans les préformes. L'originalité du modèle réside dans le fait qu'un seul maillage est utilisé pour les deux milieux. La discrétisation est réalisée avec des éléments mixtes : dans Stokes, des éléments P1+/P1 sont utilisés et dans Darcy, des éléments P1/P1 stabilisés avec une formulation multi-échelle sont employés. Des fonctions distances signées sont utilisées pour représenter l'interface entre Stokes-Darcy et pour représenter le front de résine. Concernant la déformation des préformes, une formulation Lagrangienne réactualisée est utilisée. Dans cette formulation Lagrangienne, le comportement des préformes humides est représenté à l'aide du modèle de Terzaghi dans lequel les préformes sèches ont un comportement élastique non-linéaire. La perméabilité est reliée à la porosité via la relation de Carman-Kozeny. Celle-ci est déterminée à partir de l'équation de conservation de la masse. Ce modèle a été implémenté dans ZéBuLoN. Plusieurs simulations numériques d'infusion de résine sont présentées à la fin de ce manuscrit.

This thesis is concerned with the numerical simulation of high Reynolds number, three-dimensional, incompressible flows in open domains. Many problems treated in Computational Fluid Dynamics (CFD) occur in free space: e.g., external aerodynamics past vehicles, bluff bodies or aircraft; shear flows such as shear layers or jets. In observing all these flows, we can remark that they are often unsteady, appear chaotic with the presence of a large range of eddies, and are mainly dominated by convection. For years, it was shown that Lagrangian Vortex Element Methods (VEM) are particularly well appropriate for simulating such flows. In VEM, two approaches are classically used for solving the Poisson equation. The first one is the Biot-Savart approach where the Poisson equation is solved using the Green's function approach. The unbounded domain is thus implicitly taken into account. In that case, Parallel Fast Multipole (PFM) solvers are usually used. The second approach is the Vortex-In-Cell (VIC) method where the Poisson equation is solved on a grid using fast grid solvers. This requires to impose boundary conditions or to assume periodicity. An important difference is that fast grid solvers are much faster than fast multipole solvers. We here combine these two approaches by taking the advantages of each one and, eventually, we obtain an efficient VIC-PFM method to solve incompressible flows in open domain. The major interest of this combination is its computational efficiency: compared to the PFM solver used alone, the VIC-PFM combination is 15 to 20 times faster. The second major advantage is the possibility to run Large Eddy Simulations (LES) at high Reynolds number. Indeed, as a part of the operations are done in an Eulerian way (i.e. on the VIC grid), all the existing subgrid scale (SGS) models used in classical Eulerian codes, including the recent "multiscale" models, can be easily implemented.

This thesis is concerned with the numerical simulation of high Reynolds number, three-dimensional, incompressible flows in open domains. Many problems treated in Computational Fluid Dynamics (CFD) occur in free space: e.g., external aerodynamics past vehicles, bluff bodies or aircraft; shear flows such as shear layers or jets. In observing all these flows, we can remark that they are often unsteady, appear chaotic with the presence of a large range of eddies, and are mainly dominated by convection. For years, it was shown that Lagrangian Vortex Element Methods (VEM) are particularly well appropriate for simulating such flows. In VEM, two approaches are classically used for solving the Poisson equation. The first one is the Biot-Savart approach where the Poisson equation is solved using the Green's function approach. The unbounded domain is thus implicitly taken into account. In that case, Parallel Fast Multipole (PFM) solvers are usually used. The second approach is the Vortex-In-Cell (VIC) method where the Poisson equation is solved on a grid using fast grid solvers. This requires to impose boundary conditions or to assume periodicity. An important difference is that fast grid solvers are much faster than fast multipole solvers. We here combine these two approaches by taking the advantages of each one and, eventually, we obtain an efficient VIC-PFM method to solve incompressible flows in open domain. The major interest of this combination is its computational efficiency: compared to the PFM solver used alone, the VIC-PFM combination is 15 to 20 times faster. The second major advantage is the possibility to run Large Eddy Simulations (LES) at high Reynolds number. Indeed, as a part of the operations are done in an Eulerian way (i.e. on the VIC grid), all the existing subgrid scale (SGS) models used in classical Eulerian codes, including the recent "multiscale" models, can be easily implemented.

First-principles calculations such as density functional theory (DFT) employ numerical approaches to solve the Schrodinger equation of a system. Standard functionals employed to determine the cohesive system energy, specifically the local density and generalized gradient approximations (LDA and GGA), underestimate the correlation of 5f electrons to their ions in AO₂ systems (A=U/Pu/Np). The standard correction, the "Hubbard +U," causes the multidimensional energy surface to develop a large number of local minima which do not correspond to the ground state (global minimum). Because all useful energy values derived from DFT calculations depend on small differences between relatively large cohesive energies, comparing systems wherein one or more of the samples are not in the ground state has the potential to introduce large errors. This work presents an analysis of the fundamental issues of metastable states in both pure and binary AO₂ systems, investigates novel methods of handling them, and describes why current literature approaches which appear to work well for the pure compounds are not well-suited for systems containing multiple actinide species.

The field of modelling and processing of 'images' has fairly recently become important, even crucial, to areas of science, medicine, and engineering. The inevitable explosion of imaging modalities and approaches stemming from this fact has become a rich source of mathematical applications. <br /><br /> 'Imaging' is quite broad, and suffers somewhat from this broadness. The general question of 'what is an image?' or perhaps 'what is a natural image?' turns out to be difficult to address. To make real headway one may need to strongly constrain the class of images being considered, as will be done in part of this thesis. On the other hand there are general principles that can guide research in many areas. One such principle considered is the assertion that (classes of) images have multiscale relationships, whether at a pixel level, between features, or other variants. There are both practical (in terms of computational complexity) and more philosophical reasons (mimicking the human visual system, for example) that suggest looking at such methods. Looking at scaling relationships may also have the advantage of opening a problem up to many mathematical tools. <br /><br /> This thesis will detail two investigations into multiscale relationships, in quite different areas. One will involve Iterated Function Systems (IFS), and the other a stochastic approach to reconstruction of binary images (binary phase descriptions of porous media). The use of IFS in this context, which has often been called 'fractal image coding', has been primarily viewed as an image compression technique. We will re-visit this approach, proposing it as a more general tool. Some study of the implications of that idea will be presented, along with applications inferred by the results. In the area of reconstruction of binary porous media, a novel, multiscale, hierarchical annealing approach is proposed and investigated.