Numerical modeling of fluid flow and dissolved species transport in the subsurface is a challenging task, given variability and measurement uncertainty in the physical properties of the rock, the complexities of multi-fluid interaction, and limited computational resources. Nonetheless, this thesis seeks to expand our modeling capabilities in the context of contaminant hydrogeology. We describe the numerical simulator CompFlow Bio and use it to model invasion of a nonaqueous phase liquid (NAPL) contaminant through the vadose zone and below the water table in a fractured porous rock. CompFlow Bio is a three-phase, multicomponent, deterministic numerical model for fluid flow and dissolved species transport; it includes capillary pressure and equilibrium partitioning relationships. We have augmented the model to include randomly generated, axis-aligned, discrete fracture networks (DFNs). The DFN is coupled with the porous medium (PM) to form a single continuum. The domain is discretized using a finite-volume scheme in an unstructured mesh of rectilinear control volumes (CVs). Herein we present the governing equations, unstructured mesh creation scheme, algebraic development of fracture intersection CV elimination, and coupling of PM CVs over a fracture plane to permit asperity contact bridged flow. We include: small scale two-phase water-air and NAPL-water simulations to validate the practice of intersection CV elimination; small scale simulations with water-air, NAPL-water, and NAPL-water-air systems in a grid refinement exercise and to demonstrate the effect of asperity contact bridged flow; intermediate scale 3D simulations of NAPL invading the saturated zone, based on the Smithville, Ontario, site; intermediate scale 2D and 3D simulations of NAPL invading the vadose zone and saturated zone with transient recharge, based on the Santa Susana Field Laboratory site, California. Our findings indicate that: the formulation provides a practical and satisfactory way of modeling three-phase flow in discretely fractured porous rock; numerical error caused by spatial discretization manifests itself as several biases in physical flow processes; that asperity contact is important in establishing target water saturation conditions in the vadose zone; and simulation results are sensitive to relative permeability-saturation-capillary pressure relationships. We suggest a number of enhancements to CompFlow Bio to overcome certain computational limitations.

In this study / gas production by depressurization method from a hydrate reservoir containing free gas zone below the hydrate zone is numerically modeled through 3 dimensional, 3 phase, non-isothermal reservoir simulation. The endothermic nature of hydrate decomposition requires modeling to be non-isothermal / hence energy balance equations must be employed in the simulation process. TOUGH-Fx, the successor of the well known multipurpose reservoir simulator TOUGH2 (Pruess [24]) and its very first module TOUGH-Fx/Hydrate, both developed by Moridis et.al [23] at LBNL, are utilized to model production from a theoretical hydrate reservoir, which is first studied by Holder [11] and then by Moridis [22], for comparison purposes. The study involves 2 different reservoir models, one with 30% gas in the hydrate zone (case 1) and other one with 30% water in the hydrate zone (case 2). These models are further investigated for the effect of well-bore heating. The prominent results of the modeling study are: &amp / #8226 / In case 1, second dissociation front develops at the top of hydrate zone and most substantial methane release from the hydrate occurs there. &amp / #8226 / In case 2 (hydrate-water in the hydrate zone), because a second dissociation front at the top of hydrate zone could not fully develop due to high capillary pressure acting on liquid phase, a structure similar to ice lens formation is observed. &amp / #8226 / Initial cumulative replenishment (first 5 years) and the replenishment rate (first 3.5 years) are higher for case 2 because, production pressure drop is felt all over the reservoir due to low compressibility of water and more hydrate is decomposed. Compared to previous works of Holder [11] and Moridis [22], amount of released gas contribution within the first 3 years of production is significantly low which is primarily attributed to the specified high capillary pressure function.

The resin transfer molding (RTM ) process, in which a thermosetting resin is injected into a mold cavity preloaded with a porous fiber preform, is a manufacturing method for producing advanced continuous fiber reinforced composite products with complex geometries. Numerical simulation of resin transfer molding process is an often needed tool in manufacturing design, in order to analyze the process before the mold is constructed. In this study, a numerical simulation of the resin impregnation process in RTM of composite materials is performed by using and modifying an existing simulation program. The parts that are molded in the simulations have their planar dimensions much larger than their thicknesses. Therefore, the mold filling process can be modeled as two dimensional by neglecting the variations along the thickness direction. The program is capable of simulating two-dimensional, isothermal impregnation processes through orthotropic fiber preforms of planar but complex geometries. The formulations of the physical problem, used in this study, were taken from the theory of macroscopic flow through anisotropic porous media. The formulated governing equation and boundary conditions are solved in a regular-geometry computational domain by transformation through boundary fitted coordinate system. The discretization for numerical solution is performed by the finite difference method. The current study extends the existing capabilities of the simulation program by enabling the simulation of impregnation through non-homogeneous fiber preforms. Furthermore, the capability to simulate injection from two gates (as opposed to a single gate injection that existed before) is developed and added to the program. Various one-dimensional impregnation simulations (as parametric studies) are performed to assess the influence of process parameters. Results are also compared with analytical solutions and found to be in agreement with them. Two-dimensional impregnation simulations are performed for a planar, complex geometry mold. The two-dimensional results are compared with experimental results from the literature and are found to be in acceptable agreement with them. In addition to the study of various parametric variations in two-dimensional impregnation, double-gate resin injection simulations are performed and discussed as well.

Background Surface treatments and irregularities in the surfaces may affect the fracture of ceramics. The effects of various treatments on the surface texture of different types of ceramic cores/substructures was therefore qualitatively, quantitatively and numerically evaluated. Since fractures in ceramics are not fully understood, the fracture behavior in dental ceramic core/substructures was also studied using both established laboratory methods and newly developed numerical methods. Methods The surfaces of dental ceramic cores/substructures were studied qualitatively by means of a fluorescence penetrant method and scanning electron microscopy, quantitatively evaluated using a profilometer and also numerical simulation. In order to study fracture in zirconia-based fixed partial denture (FPD) frameworks, fractographic analysis in combination with fracture tests and newly developed two-dimensional (2D) and three-dimensional (3D) numerical modeling methods were used. In the numerical modeling methods, the heterogeneity within the materials was described by means of the Weibull distribution law. The Mohr–Coulomb failure criterion with tensile strength cut-off was used to judge whether the material was in an elastic or failed state. Results Manual grinding/polishing could smooth the surfaces on some of the types of dental ceramic cores/substructures studied. Using the fluorescence penetrant method, no cracks/flaws apart from milling grooves could be seen on the surfaces of machined zirconia-based frameworks. Numerical simulations demonstrated that surface grooves affect the fracture of the ceramic bars and the deeper the groove, the sooner the bar fractured. In the laboratory tests the fracture mechanism in the FPD frameworks was identified as tensile failure and irregularities on the ceramic surfaces could act as fracture initiation sites. The numerical modeling codes allowed a better understanding of the fracture mechanism than the laboratory tests; the stress distribution and the fracture process could be reproduced using the mathematical methods of mechanics. Furthermore, a strong correlation was found between the numerical and the laboratory results. Conclusion Based on the findings in the current thesis, smooth surfaces in areas of concentrated tensile stress would be preferable regarding the survival of ceramic restorations, however, the surfaces of only some of the ceramic cores/substructures could be significantly affected by manual polishing. The newly developed 3D method clearly showed the stress distribution and the fracture process in ceramic FPD frameworks, step by step, and seems to be an appropriate tool for use in the prediction of the fracture process in ceramic FPD frameworks.

No description available.

Orientador: Jefferson Sidney Camacho / Resumo: Este trabalho tem como objetivo principal a análise entre os modelos simplificados de paredes individuais (PI), grupos isolados de paredes (GIP), grupos de paredes com interação (GPCI) e simulações numéricas (elementos finitos) para determinação da distribuição dos esforços verticais na alvenaria estrutural. Para tal, inicialmente foi efetuado uma revisão bibliográfica para estudo do comportamento da distribuição dos esforços verticais nas paredes e suas interfaces de ligação além de conceitos de discretização da alvenaria estrutural em elementos finitos e os modelos simplificados de dimensionamento. A discretização do modelo em elementos finitos foi realizada utilizando o conceito de macromodelagem e as características dos materiais foram adotadas de acordo com as normas vigentes. Em relação aos grupos de paredes isolados, foi possível identificar um comportamento de uniformização das forças verticais de acordo com o número de pavimentos. Buscou-se também, uma caracterização da uniformização das forças verticais relacionadas com as medidas geométricas dos grupos de parede com interação. Dentre os valores obtidos pelo modelo simplificado de grupos de paredes com interação e a simulações numéricas, considerando o modelo arquitetônico adotado, verificou-se que as taxas de interação tendem a valores de 20%, além da identificação de alguns fenômenos que devem ser melhores investigados. / Mestre

Le soudage par faisceau d’électrons d’alliages à durcissement structural de la série7xxx induit des modifications importantes de leur microstructure, et par conséquent de leur comportement mécanique. Cette étude visait à formuler une loi de comportement incluant l’endommagement de structures soudées par une approche locale de la rupture. Pour cela, la microstructure de la soudure et les propriétés mécaniques résultantes sont caractérisées. Le lien est fait entre la distribution de précipités fins et les propriétés plastiques, ainsi qu’entre la précipitation grossière et les micromécanismes d’endommagement. Le modèle aux éléments finis proposé prend en compte le comportement plastique des différentes zones et reproduit le comportement en endommagement de la zone fondue, qui constitue le maillon faible de la structure à cause de l’évaporation d’éléments d’alliages durant le soudage. Ce modèle a été validé dans une gamme étendue de sollicitations mécaniques (géométrie,entaille). / The electron beam welding of 7xxx series alloys leads to modification of their microstructureand consequently of their mechanical behavior. This study aimed toformulate a constitutive law including damage for welded structures by a local approachof fracture. For this purpose, the weld microstructure and the resulting mechanicalproperties have been characterized. The relationship between fine scaleprecipitate distribution and plastic properties has been established, as well as therelationship between coarse precipitation and micro-mechanisms of damage. Thefinite elements model takes into account the plastic behavior of the different zonesand reproduces the damage behavior of the fusion zone, which is the weakest linkof the structure due to evaporation of alloying elements during welding. This modelhas been validated in a large variety of stress conditions (sample geometry, notch).

abstract: The primary objective of this study is to understand the effect of soil cracking on foundation performance for expansive soil profiles. Two major effects of cracks were studied to assess the effect of cracks on foundation performance. First, the effect of cracks on soil volume change response was studied. Second, the effect of cracks on unsaturated flow properties and extent and degree of wetting were evaluated. Multiple oedometer-type pressure plate tests were conducted to evaluate the effect of cracks on soil properties commonly used in volume change (heave) analyses, such as swell pressure, soil water characteristic curve (SWCC), and swell potential. Additionally, the effect of cracks on saturated and unsaturated hydraulic conductivity was studied experimentally to assess the impact of cracks on properties critical to evaluation of extent and degree of wetting. Laboratory experiments were performed on both intact and cracked specimen so that the effect of cracks on behavior could be benchmarked against intact soil response. Based on laboratory observations, the SWCC of a cracked soil is bimodal. However, this bimodal behavior is only observed in the very low suction ranges. Because the bimodal nature of the SWCC of cracked clays is only distinguishable at extremely low suctions, the bimodal behavior is unlikely to have engineering significance when soils remain unsaturated. A "lumped mass" parameter approach has been studied as a practical approach for modeling of cracked soils for both fluid flow and volume change determination. Laboratory unsaturated flow experiments were simulated using a saturated-unsaturated flow finite element code, SVFlux, to back-analyze unsaturated hydraulic conductivity functions for the subject soils. These back-analyzed results were compared to the results from traditionally-applied analyses of the laboratory instantaneous profile tests on intact and cracked specimens. Based on this comparison, empirical adjustments were suggested for modeling "lumped mass" cracked soil behavior in numerical codes for fluid flow through cracked soils. Using the empirically adjusted flow parameters for unsaturated flow modeling, example analyses were performed for slab-on-grade problems to demonstrate the impact of cracks on degree and extent of wetting under unsaturated and saturated flow conditions for different surface flux boundary conditions. / Dissertation/Thesis / Ph.D. Civil and Environmental Engineering 2011

Le procédé de bio-cimentation est une technique prometteuse pour renforcer les sols lâches et de faible résistance mécanique. Cette technique a montré une très bonne efficacité pour plusieurs types de sols lors d’essais en laboratoire, dans des modèles physiques ou lors d’essais sur site. Par contre, elle a montré une forte sensibilité aux conditions de traitement telles que concentrations des réactifs, bactéries, vitesse d’injection, type de sols, température, etc… Ces facteurs influencent principalement la distribution spatiale de la calcite précipitée, sa forme et sa morphologie, ce qui influence par la suite les propriétés effectives des sols traités. Ces travaux de thèse ont été réalisés dans le cadre du projet BOREAL qui vise à renforcer par cette technique des digues et barrages en terre existants contre l’érosion interne des noyaux et la liquéfaction des fondations. L'objectif de cette thèse est d'étudier l’évolution des propriétés physiques et mécaniques du sable bio-cimenté (perméabilité, résistance mécanique) par la réalisation d’essais mécaniques et de mesures de perméabilité en laboratoire, et de lier cette évolution aux changements microstructuraux via des observations par microtomographie RX. Le travail a commencé par des essais de bio-cimentation de colonnes de sable de Fontainebleau afin de vérifier la faisabilité de la bio-cimentation en laboratoire. Suite à ces essais de faisabilité, des essais triaxiaux drainés ont été réalisés sur le sable bio-cimenté afin d’estimer l’évolution de ses paramètres de résistance tels que la cohésion et l'angle de frottement. Des petits volumes de sable bio-cimenté présentant différentes teneurs en calcite ont été extraits des échantillons triaxiaux et observés par micro-tomographie aux rayons-X à l’ESRF sous une très haute résolution (0,65 µm/ pixel). Des méthodes quantitatives d’imagerie 3D ont été développées pour calculer les propriétés microstructurales moyennes (quantité de calcite, porosité, surface spécifique et surface spécifique de calcite) et les propriétés de contact (surface de contact, nombre de coordination, type de contacts, orientation des contacts, etc…) pour les différents échantillons observés. Cette étude a montré une forte évolution de la résistance du sable bio-cimenté (évolution non-linéaire de la cohésion, évolution quasi-linéaire de l’angle de frottement, légère augmentation de la résistance résiduelle, etc…) et une diminution de la perméabilité par la précipitation de la calcite à l’intérieur de l’échantillon. L’étude quantitative de l’évolution de la microstructure a montré une stabilité de la surface spécifique de la calcite à partir d’un certain niveau de calcification, une forte évolution quasi-linéaire de la surface de contact cohésive entre les grains ainsi qu’une légère évolution du nombre de coordination par la création de nouveaux contacts. La comparaison de ces évolutions avec celles obtenues pour un arrangement périodique de type cubique simple en utilisant deux scenarii de précipitation (uniforme et localisée au niveau du contact) a montré que la précipitation de la calcite se produit principalement dans les zones de contact inter-granulaire. L’utilisation de ces informations microstructurales dans des modèles micromécaniques a permis d’estimer avec succès les propriétés effectives du sable bio-cimenté (cohésion, perméabilité, modules élastiques). Enfin, les mêmes outils ont été utilisés pour étudier la durabilité chimique du sable bio-cimenté. Cette étude a montré une dégradation de la résistance du sable par la dissolution de la calcite à l’intérieur des échantillons. Les mesures quantitatives sur les images 3D ont montré une dégradation de la surface de contact sans hystérésis par rapport à l’évolution de ces surfaces de contacts pendant le processus de bio-cimentation. / The biocementation process is considered as a promising technique for strengthening loose and weak soils. This technique has shown very good efficiency for several types of soil through laboratory tests and large scale models. On the other hand, it has shown a high sensitivity to the treatment conditions such as reactant concentrations, bacteria, injection rate, type of soil, temperature, etc…. These factors influence mainly the spatial distribution of the precipitated calcite, its shape and morphology, which subsequently influences the effective properties of the treated soils. This thesis is part of the French research project BOREAL, which aims at reinforcing old dykes and earth dams with this technique against internal erosion of the core and liquefaction of foundations. The objective of this thesis is to study the evolution of the physical and mechanical properties of biocemented sands (permeability, mechanical strength) by performing mechanical tests and permeability measurements in the laboratory and linking this evolution to microstructural changes by using quantitative 3D X-ray imaging tools. To do this, this work began with biocementation tests on Fontainebleau sand to verify the feasibility of the biocementation process in the laboratory. After these feasibility tests, drained triaxial tests have been carried out on the biocemented sand in order to estimate the evolution of its resistance parameters such as cohesion and friction angle. Small sub-samples of biocemented sand with different calcite contents have been then extracted and observed using X-ray micro-tomography at ESRF at a very high resolution (0.65 μm / pixel). Quantitative methods of 3D imaging have been developed to compute mean microstructural properties (amount of calcite, porosity, specific surface area and specific surface area of calcite) and contact properties (contact surface area, coordination number, type of contacts, contact orientation, etc…) for the different observed sub-samples. This study has shown a strong evolution of the resistance of biocemented sand (non-linear evolution of the cohesion, quasi-linear evolution of the friction angle, a slight increase of the residual resistance, etc...) and a decrease of the permeability by the precipitation of the calcite inside the sample. The quantitative study of the evolution of the microstructure has shown a stability of the specific surface area of the calcite beyond a certain level of calcification, a strong quasi-linear evolution of the cohesive contact surface between the grains as well as a slight evolution the coordination number (creation of new contacts). The comparison of these evolutions with those obtained considering a simple cubic periodic arrangement using two precipitation scenarii (uniform and localized at the contact) has shown that the precipitation of the calcite mainly occurs in the zones of inter-granular contact. This microstructural information have4 been then used successfully in micromechanical models to estimate the effective properties of biocemented sand (cohesion, permeability, elastic moduli). Finally, the same tools have been used to study the chemical durability of biocemented sand. This study has shown a degradation of sand resistance by dissolving calcite within the samples. The quantitative measurements on the 3D images have shown a degradation of the contact surface area without hysteresis with respect to the evolution of these contact surfaces during the biocementation process.

Submitted by Lucienne Costa (lucienneferreira@ufcg.edu.br) on 2018-08-13T20:28:06Z No. of bitstreams: 1 MILENA PEREIRA DANTAS – DISSERTAÇÃO (PPGMET) 2017.pdf: 2671336 bytes, checksum: 9905ca7f274eefdb2f18c8ba0f5c8796 (MD5) / Made available in DSpace on 2018-08-13T20:28:06Z (GMT). No. of bitstreams: 1 MILENA PEREIRA DANTAS – DISSERTAÇÃO (PPGMET) 2017.pdf: 2671336 bytes, checksum: 9905ca7f274eefdb2f18c8ba0f5c8796 (MD5) Previous issue date: 2017-02-16 / Capes / Este estudo teve como objetivo fazer uma análise comparativa dos fluxos de superfície, obtidas por simulações numéricas do modelo BRAMS 5.1, antes e depois, da incorporação dos dados de IVDN estimados pelo satélite do MODIS/Terra. Foram feitas duas simulações, no período mais seco, para áreas homogêneas selecionadas na região do cerrado do Amapá. O intuito foi avaliar o comportamento dos fluxos de superfície. Estimaram-se o Índice de vegetação por diferença normalizada (IVDN), o Saldo de Radiação (Rn) e o fluxo de calor no solo (G0). Os fluxos de calor sensível (H) e latente (LE) foram obtidos pelo o algoritmo S-SEBI, a partir de imagens de satélite MODIS/Terra no período de 13-20/08/2002, 29-05/09/2006, 21-28/08/2015. Na primeira simulação, utilizaram-se os dados de controle de vegetação da simulação e na segunda procedeu-se a incorporação dos dados de IVDN do MODIS/Terra (período 29-05/09/2006) ao modelo numérico. Os resultados do IVDN obtidos pelo satélite mostraram que as variabilidades ocorrem conforme o tipo de vegetação e cobertura do solo. A substituição do cerrado sensu stricto pela floresta de eucalipto ocasionou um aumento do Rn e LE, e uma redução do G0 e H. Ao se comparar os dados medidos de Rn pela torre com os dados obtidos pelo MODIS /Terra, o erro percentual foi da ordem de 4,46% e estão de acordo com outros trabalhos encontrados na literatura. Já os erros observados na validação das simulações do BRAMS para algumas variáveis do balanço de energia, em algumas áreas, foram elevados. Salienta-se que este estudo pode ser melhorado com o aperfeiçoamento de outras condições iniciais e configuração das simulações realizadas. / This study aims to make a comparative analyses of the surface flow, obtained by numeric simulations of BRAMS 5.1 model, before and after of the NVDI data incorporation, Estimated by Terra/MODIS / satellite. We performed two simulations, in the driest period, for homogeneous areas selected in the cerrado (Savana) region of Amapá. The aim was to evaluate the behavior of surface flows. We estimate the normalized difference vegetation index (NVDI), the Radiation Balance (Rn) and the heat flux in the soil (G0). The latent (H) and latent (LE) heat fluxes were obtained by the S-SEBI algorithm, from Terra/MODIS satellite images in the period of 13-20/ 08/2002, 29-05/09/2006, 21-28/ 08/2015. The results of the IVDN obtained by the satellite showed that they present variabilities according to vegetation type and soil cover. The substitution of cerrado sensu stricto for eucalyptus forest caused an increase of Rn and LE, and a reduction of G0 and H. When we comparing the Rn measured data obtained by the tower with the data obtained by Terra/MODIS, the percentage error was of the order of 4.4% and are in agreement with other works found in the literature. However, the errors observed in the validation of the BRAMS simulations for some energy balance variables in some areas were high. We emphasized that this study can be improved with the improvement of other initial conditions and configuration of the simulations.