Cases of dam failure occur around the world almost each year. Dam failures can result in the formation and propagation of fast-moving unsteady flows that can cause loss of life as well as significant environmental and economic consequences in downstream flooded areas. The initial stages of a dam break are important due to wave-breaking front and the associated turbulence. Furthermore, characteristics of the river bed downstream of the dam (topography and bathymetry) as well as the presence of obstacles in the dam break wave path such as man-made or natural obstacles like bridges, trees, and local sills affect flow dynamics, which can lead to the formation of hydraulic jumps and the reflection of the flood wave. Accordingly, the precise prediction of flood parameters such as arrival times, free surface profiles, and flow velocity profiles is essential in order to mitigate flood hazards. This study aimed to assess the performance of various turbulence models in predicting and estimating dam-break flows and related positive and negative flood wave characteristics over different downstream bed conditions. Three-dimensional (3-D) Computational Fluid Dynamics (CFD) models were created to solve the unsteady Reynolds equations in order to determine the initial stages of the free surface profiles over dry and wet beds and to investigate the generation and propagation of dam-break flows and reflected flood waves in the presence of a bed obstacle. The performance of different Reynolds-averaged Navier-Stokes (RANS) turbulence models has been investigated, and the standard k-ε, RNG k-ε, realizable k-ε, k-ω SST, and v^2-f turbulence models have been studied using OpenFOAM software. Dam-breaks were modelled using the Volume of Fluid (VOF) method employing the Finite Volume Method (FVM). Both qualitative and quantitative comparisons of numerical simulations with laboratory experiments were completed in order to assess the suitability of different turbulence models. The results of the first study showed that the RNG k-ε model exhibited better performance in capturing the flood wave free surface profiles over both dry- and wet-bed downstream conditions, while from the second study, it was concluded that the k-ω SST model was able to accurately predict the formation and propagation of reflected waves against a bottom obstacle in terms of free surface profiles and negative bore propagation speeds.

En raison de leur utilisation accrue, de nombreux contaminants émergents, comme les antibiotiques de type quinolone sont retrouvés dans l’environnement. Leur devenir étant fortement contrôlé par leur interaction avec surfaces minérales, cette thèse a eu pour objectif de comprendre et prédire l’adsorption de quinolones sur des minéraux dans des conditions environnementales variées (pH, salinité, présence de cations et d’anions naturels, etc…) et de développer des modèles de transport réactif. Une approche innovante a alors été développée, combinant des données cinétiques et thermodynamiques, des mesures spectroscopiques in situ et de la modélisation de la complexation de surface. Cette thèse est divisée en deux sections. La première a eu pour but de déterminer les mécanismes de complexation de quinolones sur des oxydes de fer (goethite et magnétite) dans des conditions réduites et dans l’eau de mer. La stœchiométrie de la magnétite (Fe(II)/Fe(III)) s’est avéré être un facteur majeur de contrôle de l’adsorption de l’acide nalidixique (NA). Les effets compétitifs et coopératifs de différents ions présents dans l’eau de mer ont pu être prédits avec précision en réacteur fermé et en colonne (conditions de flux). La deuxième partie de la thèse s’est penchée sur les interactions entre goethite avec des ligands ubiquistes dans l’environnement, comme la matière organique naturelle (MON), et leur impact sur le transport de quinolones. L’adsorption de NA sur la goethite en présence et en l’absence de MON, ainsi que le fractionnement de la MON, ont été étudiés en colonne. Ces résultats pourraient permettre de mieux comprendre et prédire le devenir des quinolones dans l’environnement. / Due to their extensive use, many emerging contaminants, such as quinolone antibiotics, are released to the environment. Because their environmental fate is largely controlled by their interaction with mineral surfaces, such as iron oxides, this thesis aimed to assess quinolones adsorption onto minerals under environmental relevant conditions (pH, ionic strength, presence of ubiquitous cations and anions, etc.) and develop reactive transport models. To address these issues, an innovative approach combining kinetic and thermodynamic data, in situ spectroscopic measurements and surface complexation modeling, was proposed. This thesis manuscript consists of two parts. The first part investigated the binding mechanisms of quinolones onto iron oxides (goethite and magnetite) under reducing or seawater conditions. Considerable impact of the magnetite stoichiometry (Fe(II)/Fe(III)) on its sorption capability towards nalidixic acid has been demonstrated. Competitive and synergetic effects of different seawater ions on quinolone adsorption to goethite were accurately predicted under static and water saturated flow-through conditions. The second part investigated the interactions of goethite with naturally occurring ligands such as natural organic matter (NOM) and their impacts on the mobility/transport of quinolones. Interactions of NOM and goethite and effects on the surface hydrophilicity were first investigated. Then, nalidixic acid adsorption to goethite and to NOM-covered goethite and NOM fractionation were examined under flow-through conditions. These results may have important implications for assessment and prediction of the fate of quinolones antibiotics in the environment.

L’évaluation de la vascularisation tumorale par l’échographie de contraste ultrasonore a montré son intérêt pour déterminer l’efficacité des traitements anti-angiogéniques. Malgré tout, cette technique suscite de nombreux questionnements concernant la sensibilité des méthodes de quantification du signal ultrasonore. Pour répondre à cette problématique, il a été question dans cette thèse de développer la première modélisation numérique de l’écoulement du sang et des agents de contraste dans des réseaux vasculaires pour étudier les méthodes de quantification du signal ultrasonore et leurs sensibilités par rapport à des variations de volume du réseau tumoral et des vitesses du sang. Une première étape de la thèse a consisté à valider, par une comparaison expérimentale, les hypothèses faites pour la modélisation numérique et principalement la prise en compte du sang comme un fluide Newtonien homogène. La modélisation numérique a permis de mettre en évidence les paramètres les plus sensibles aux modifications du débit vasculaire tumorale que sont l’aire sous la courbe, le rehaussement maximal et la pente de la courbe de rehaussement du signal dans le cadre de la méthode semi-quantitative. Lorsqu’il s’agit de suivre les variations du volume vasculaire tumoral, il apparait que la méthode quantitative par deconvolution de la fonction artérielle est plus sensible. Les méthodes de quantification ont également été étudiées par le biais d’une étude in vivo sur 44 souris. Cette approche numérique de l’écoulement des agents de contraste est prometteuse et peut permettre à terme une évaluation plus large des autres méthodes de quantification développées à ce jour pour l’échographie de contraste. / Evaluation of tumor vascularization by dynamic contrast-enhanced ultrasonography showed interest for the assessment of the effectiveness of anti-angiogenic treatments. Nevertheless, this technique raises many questions about the sensitivity of quantification methods of the ultrasound signal. To address this issue, this thesis focused on the development of the first digital modeling of blood flow and contrast agents in vascular networks to study the methods of quantification of the ultrasound signal and theirs sensitivity according to variations of tumor network volume and blood velocity. A first step of the thesis was to validate by an experimental comparison, the assumptions of the digital modeling and mainly the taking into account of the blood as a homogeneous Newtonian fluid. Digital modeling allowed to highlight parameters sensitive to the modification of the blood flow which are in the case of the semi-quantitative method the area under the enhancement curve, the maximum of the enhancement curve and the slope of the enhancement curve. When it comes to follow variations of the tumor vascular volume, it appears that the quantitative method by deconvolution of the arterial function is more sensitive. The quantification methods have also been investigated throught an in vivo study of 44 mice. This digital approach of the flow of the contrast agents is promising and may eventually enable a more extensive evaluation of other quantification methods developed in dynamic contrast-enhanced ultrasonography to date.

The ultimate goal of this project is to comprehensively investigate induced seismicity potential by studying the behavior of fault shear zones during high pressure CO2 injection for utilization and storage operations. Seismicity induced by fluid injection is one of the major concerns associated with recent energy technologies such as Carbon capture and storage (CCS) projects. CO2 injection increases reservoir pore pressure and decreases the effective stress causing deformation that can degrade the storage integrity by creating new fractures and reactivating faults. The first consequence is that reactivation of faults and fractures create a pathway for upward CO2 migration. The increased seismic activity is the second consequence, which raises the public concern despite the small magnitudes of such earthquakes. Changes in pore fluid pressure within the injection zone can induce low-magnitude seismic events. However, there are multiple involved Thermo-Hydro-Mechanical (THM) processes during and after fault slip that influences pore pressure and fault strength. Flash heating and thermal pressurization are two examples of such processes that can weaken the fault and decrease frictional resistance along the fault. The proposed study aims to use a multi-physics numerical simulation to analyze the fault shear zone mechanics and capture the involved THM processes during CO2 injection. In one study, a coupled THM model is performed to simulate stress and pore pressure changes in the fault and ultimately measuring the maximum induced magnitude. The other study investigates the response of the fault shear zone during CO2 injection with and without considering the thermal pressurization (TP) effect. In the third part, the realistic behavior of friction was studied by using a rate-and-state friction theory to capture the full earthquake rupture sequence. The outcome of the proposed project can significantly increase the efficiency and public acceptance of CCS technology by addressing the major concerns related to the induced seismicity due to CO2 injection.

Adaptation to climate change requires a careful evaluation of the infrastructure performance under extreme events in a changing climate. Earthen levees are critical infrastructure systems, which play a vital role to the country’s safety, environment, and economic security. The main objective of this study is to quantitatively assess the integrity of earthen levees subject to extreme precipitation and flooding under a changing climate. A multi-disciplinary modeling framework is developed and applied to two earthen levees, Elkhorn and Sherman Island levees, in California. Patterns of extreme precipitation and flooding are obtained for the study areas under current and future climate. A nonstationary framework is employed, which accounts for climate change-induced changes in statistics of future extreme precipitation. The precipitation and flooding data are then applied as hydraulic loads in a set of fully coupled stresslow finite element simulations to determine the factory of safety (FOS) and probability of failure (Pf) of the levees for different scenarios. The Pf values are used to develop fragility curves, which can provide valuable tools for risk assessments. The modeling framework is used to study three distinct yet interrelated problems. The first problem assesses the performance of the Elkhorn levee using historical and projected future precipitation patterns. The results show that Pf increases 3%-12% under the projected extreme precipitation compared to the baseline scenario. The second problem involves quantifying the effects of changes in future streamflow on the fragility behavior of the Elkhorn levee considering multiple modes of failure. For the cases examined, incorporating future floods leads to up to 23% reduction in FOS and 95% increase in Pf. The third problem assesses the fragility behavior of the Sherman Island levee under compound flooding (induced by coastal, fluvial and pluvial processes), an overlooked aspect in the majority of the existing flood hazard analyses. Results show that considering compound flooding leads to 22% and 30% reductions in FOS for 2- and 50-year recurrence intervals, respectively. Using the projected future pluvial flooding increases Pf by 13%. Findings of this research suggest that risk assessments based on historical records can significantly underestimate the levee’s Pf in a changing climate.

In metal cutting applications, development of coatings to reduce friction between tool and chip and also enhance wear resistance of the tool is an important objective. The effectiveness of such coatings is ultimately evaluated through metal cutting trials; however, bench-scale tests can play a role in predicting some aspects of a candidate coating’s performance. This dissertation further develops the concept of an on-axis rotation pin-on-disc tribometer for the evaluation of friction coefficient between tool and work material pairs under temperature and stress conditions similar to those experienced between tool and chip in metal cutting. Firstly, the characteristics of the imprint formed by the spherical-tipped pin in the disc during tribometer tests are studied. Specific focus is given to the growth of the imprint during the rotating stage of the test; the severity of pile-up of work material around the periphery of the imprint; different zones of contact at the imprint surface; and evidence of (or lack thereof) of bulk shear in the surrounding work material below the surface of the disc. The importance of estimating the actual temperature at the pin-disc interface (inaccessible for direct measurement) is also raised. Evidence is presented that suggests the pin-disc interface is higher for tests involving coatings with higher electrical resistivity, despite exhibiting similar temperatures 2 mm above the interface (accessible for direct measurement). A numerical model is developed in an effort to estimate the pin-disc interface during stationary specimen tests for specific pin and disc materials under controlled conditions. An empirical relationship is also established to express the variation of electrical resistivity with temperature for cemented tungsten carbide (6% cobalt content). Finally, coefficient of friction results for coated and uncoated cemented carbide pins in contact with AISI 1045 steel discs are related to short duration turning trials involving the same material pairs. Coatings exhibiting low friction coefficient result in appreciably lower cutting forces, reduced built-up edge intensity and more tightly curled chips. The possibility that the low thermal conductivity of such coatings could be producing similar effects by forcing more heat into the chips is also explored. / Dissertation / Doctor of Philosophy (PhD) / This dissertation further develops the concept of a pin-on-disc apparatus for evaluating the friction coefficient between materials under temperature and stress conditions similar to those experienced in metal cutting. Firstly, characteristics of the imprint formed by the pin in the disc during tests with the apparatus are studied. Specific focus is given to the growth of the imprint during the rotating stage of the test and different zones of contact at the imprint surface. Secondly, the importance of estimating the actual temperature at the pin-disc interface, inaccessible for direct measurement, is raised and a numerical model developed to aid in its estimation. Finally, coefficient of friction results generated on the apparatus are correlated to the magnitude of forces measured and other observations made during metal cutting trials involving the same material pairs.

Excessive release of nitrogen (e.g., ammonia and organic nitrogen) into natural water systems can cause serious environmental problems such as algal blooms and eutrophication in lakes and rivers, threating the aquatic life and ecosystem balance. Membrane aerated biofilm reactor (MABR) and anaerobic ammonia oxidation (Anammox) are new technologies for wastewater treatment with an emphasis on energy-efficient nitrification and denitrification. Microplastic (MP) is an emerging contaminant in wastewater and sludge treatment that has a negative effect on the environment and public health. For these relatively new technologies and contaminants, mathematical models can enhance our understanding of the removal mechanisms, such as reaction kinetics and mass transport. In this study, mathematical models were developed and utilized to simulate the removal of nitrogen and MP in biological reactions in wastewater treatment processes. Firstly, a comprehensive MABR model was developed and calibrated using a pilot-scale MABR operation data to estimate the important process parameters where it was found that biofilm thickness, liquid film thickness and C/N ratio are key parameters on nitrification and denitrification. Secondly, a mathematical model for Anammox process was developed and calibrated using previous experimental results to simulate the wastewater treatment using Anammox process, reflecting the importance of dissolved oxygen on the nitrogen removal using Anammox bacteria. Thirdly, a granule-based Anammox mathematical model was built and calibrated using other simulation results from previous Anammox studies, showing the significance of operational conditions (e.g., granule diameter and dissolved oxygen) on the success of Anammox enrichment process. Fourthly, an enzyme kinetic mathematical model was constructed and calibrated with lab-scale experiments to simulate the MP reduction using hydrolytic enzymes under various experimental conditions where it was found that anaerobic digesters can be an innovative solution for MP removal during the wastewater treatment processes. Based on the main findings in this study, it can be concluded that mathematical models calibrated with various experimental results are efficient tools for determining the important operational parameters on the nitrogen and MP removal and helping in the design and operation of large-scale removal applications. / Thesis / Doctor of Philosophy (PhD) / Nitrogen and microplastic (MP) are serious contaminants in wastewater that can cause critical environmental and public health problems. Nitrogen can cause algal blooms, threatening the aquatic ecosystem while MP can be ingested by the biota (e.g., fish and seabirds), causing serious damage in the food chain. Nitrogen removal in the conventional biological wastewater treatment is relatively expensive, requiring high energy cost and large footprint for the wastewater treatment facilities. MP removal is also difficult in the conventional wastewater and sludge treatment processes. Therefore, new technologies, including membrane aerated biofilm reactor (MABR), anaerobic ammonia oxidation (Anammox) and hydrolytic enzymes processes, are implemented to improve the nitrogen and MP removal with a reduced energy and resources consumption in wastewater and sludge treatment processes. Numerical models are considered as an efficient tool for better understanding of these novel technologies and the competitive biological reaction in these technologies coupled with accurate estimation of process rates of the reactions. In this thesis, different numerical models were developed and calibrated to estimate the important model parameters, assess the effect of operational conditions on the removal mechanisms and determine the dominant parameters on the removal of nitrogen and MP in the wastewater treatment processes. These numerical models can be used for better understanding of the removal mechanisms of nitrogen and MP, helping in the design and operation of removal systems and addressing novel technologies in large-scale nitrogen and MP removal applications.

The structural damage after the Christchurch earthquake (2011) led to extensively damaged facilities that did not collapse but did require demolition, representing more than 70% of the building stock in the central business district. These severe economic losses that result from conventional seismic design clearly show the importance of moving towards resilience-based design approaches of structures. For instance, special reinforced masonry shear walls (SRMWs), which are fixed-base walls, are typically designed to dissipate energy through the yielding of bonded reinforcement while special detailing is maintained to fulfill ductility requirements. This comes at the expense of accepting residual drifts and permanent damage in potential plastic hinge zones. This design process hinders the overall resilience of such walls because of the costs and time associated with the loss of operation and service shutdown. In controlled rocking systems, an elastic gap opening mechanism (i.e., rocking joint) replaces the typical yielding of the main reinforcement in conventional fixed-base walls, hence reducing wall lateral stiffness without excessive yielding damage. Consequently, controlled rocking wall systems with limited damage and self-centering behavior under the control of unbonded post-tensioning (PT) are considered favorable for modern resilient cities because of the costs associated with service shutdown (i.e., for structural repairs or replacement) are minimized. However, the difficulty of PT implementation during construction is challenging in practical masonry applications. In addition, PT losses due to PT yielding and early strength degradation of masonry reduce the self-centering ability of controlled rocking masonry walls with unbonded post-tensioning (PT-CRMWs). Such challenges demonstrate the importance of considering an alternative source of self-centering. In this regard, the current study initially evaluates the seismic performance of PT-CRMWs compared to SRMWs. Next, a new controlled rocking system for masonry walls is proposed, namely Energy Dissipation-Controlled Rocking Masonry Walls (ED-CRMWs), which are designed to self-center through vertical gravity loads only, without the use of PT tendons. To control the rocking response, supplemental energy dissipation (ED) devices are included. This proposed system is evaluated experimentally in two phases. In Phase I of the experimental program, the focus is to ensure that the intended behavior of ED-CRMWs is achieved. This is followed by design guidance, validated through collapse risk analysis of a series of 20 ED-CRMW archetypes. Finally, Phase II of the experimental program evaluates a more resilient ED-CRMW is evaluated, which incorporates a readily replaceable externally mounted flexural arm ED device. Design guidance is also provided for ED-CRMWs incorporating such devices. / Thesis / Doctor of Philosophy (PhD)

Thermosyphon transient operation was numerically modeled. The numerical model presented in this work overcame the limitations of previous studies by including transient conduction in the vessel wall, shear stress between the rising vapor and the falling film in the thermosyphon, the influence of the mass in the liquid pool in the evaporator, and by using a more refined and accurate numerical grid. Unique to this model was the accounting for temporal changes in the effective length of the vapor space due to the expanding and contracting of non-condensable gases in the vapor space. The model assumed quasi-steady one-dimensional vapor flow, transient one-dimensional flow in the falling liquid film, and transient behavior in the liquid pool in the evaporator. The model also assumed transient two-dimensional conduction in the thermosyphon wall. Using fundamental principles, the governing equations used in the numerical model were developed and then written in finite difference form. The finite difference forms of the governing equations were integrated using an explicit scheme. A sensitivity study was performed and found that the numerical model was accurate to 4%. An experiment was also conducted to validate the numerical model. The experiment used three distinct transient heat loads to simulate gradual, moderate and sharp increases in temperature. The uncertainty of the experiment was shown to be 2.3%. The temperatures from the numerical model were then compared to those measured during the physical experiment to determine the validity of the numerical model. The model was further exercised to develop a useful engineering relationship that can be used to predict the transient performance of a thermosyphon.

The performance of a coupled viscoplastic model of FSW has been evaluated over a variety of tool RPMs and feed rates. Initial results suggested that further optimization of the material parameters and an additional ability to model the thermal recovery of the material would improve the overall performance of the model. Therefore, an experimental/numeric approach was taken to improve and quantitatively compare the performance of the model based upon the thermal profile of the workpiece. First, an experimental method for obtaining real-time temperature measurements during Friction Stir Processing (FSP) of 304L Stainless Steel was developed. The focus of the method was to ensure that the obtained temperatures were both accurate and repeatable. The method was then used to obtain thermal cycle data from nine welds, each at different operating conditions ranging in tool rotational speed from 300 to 500 RPMs and in feed rate from 0.85 to 2.54 mm/s (2 - 6 in/min). Then a family of nine numerical models was created, each model corresponding to one welding condition. The performance due to improved convergence stability and the added thermal recovery term are also discussed. A gradient following technique was used to optimization and iteratively adjust nine material parameters to minimize the difference between the numerical and experimental temperature for the whole family of models. The optimization decreased the squared error between the numerical and measured temperatures by 76%. Recommendations are also made that may allow the optimization method to return greater dividends.