Water resources management is now recognized as a multidisciplinary task that has to be performed in an integrated way, within the natural boundaries of the hydrological basin or of the aquifers. Policy makers and water managers express a need to have tools able at this regional scale to help in the management of the water resources. Until now, few methodologies and tools were available to assess and model the fate of diffuse contaminants in groundwater at the regional scale. In this context, the objective of this research was to develop a pragmatic tool to assess and to model groundwater flow and solute transport at the regional scale. A general methodology including the acquisition and the management of data and a new flexible numerical approach was developed. This numerical approach called Hybrid Finite Element Mixing Cell (HFEMC) was implemented in the SUFT3D simulator developed by the Hydrogeology Group of the University of Liège. A first application of this methodology was performed on the Geer basin. The chalk aquifer of the Geer basin is an important resource of groundwater for the city of Liège and its suburbs. The quality of this groundwater resource is threatened by diffuse nitrate contamination mostly resulting from agricultural practices. New field investigations were performed in the basin to better understand the spatial distribution of the nitrate contamination. Samples were taken for environmental tracers (tritium, CFCs and SF6) analysis. The spatial distribution of environmental tracers concentrations is in concordance with the spatial distribution of nitrates. This allows proposing a coherent interpretative schema of the groundwater flow and solute transport at the regional scale. These new data and the results of a statistical nitrate trend analysis were used to calibrate the groundwater model developed with the HFEMC approach. This groundwater flow and solute transport model was used to forecast the evolution of nitrate concentrations in groundwater under a realistic scenario of nitrate input for the period 2008-2058. According to the modelling results, upward nitrate trends observed in the basin will not be reversed for 2015 as prescribed by the EU Water Framework Directive. The regional scale groundwater solute transport model was subsequently used to compute nitrate concentrations in groundwater under different scenarios of nitrate input to feed a socio-economic analysis performed by BRGM. These computed concentrations were used to assess the benefit, for the users, linked to the reduction of contamination resulting from the changes in nitrate input. These benefits were compared to the costs associated to the implementation of the considered agri-environmental schemes that allow reducing the nitrate input to groundwater.

In this study, climate and vegetation interactions are examined for several periods of the geological past with (1) a dynamic global vegetation model CARAIB, and (2) an Earth system model of intermediate complexity Planet Simulator. Both models interact through an equilibrium asynchronous coupling procedure, which consists of a series of iterations of climate and vegetation equilibrium simulations. The climate and vegetation models, as well as the coupling technique developed here and some basic results are rst presented. The models are then applied to study three periods that have experienced large scale climate and vegetation changes: the Last Glacial Maximum, the Middle Pliocene and the Middle Miocene. First, the implications of changing land surface properties on the climate at the Last Glacial Maximum (LGM) are studied. A series of sensitivity experiments is carried out to evaluate the contribution of vegetation change relative to the contributions of the ice sheet expansion and elevation, and the lowering of the atmospheric CO2 on the Last Glacial Maximum climate. We find that the vegetation cover change at the LGM leads to signicant global cooling, together with a decrease in precipitation. The change in the vegetation cover also reinforces the cooling due to other surface cover changes, such as the ice-cover, when applied together with them. Secondly, the climate and vegetation models are used to investigate the Middle Pliocene and Middle Miocene climates and vegetations. Both periods are characterised by a warmer and wetter than present-day climate, and as a consequence, by a reduction of desert areas and an expansion and densification of forests especially at high latitudes. Our results show that the vegetation feedback on climate may have contributed to maintain and even to intensify the warm and humid conditions produced by the other climatic factors at the Middle Pliocene and Middle Miocene. Thus, considering the climate and vegetation interactions could help to reconcile model results with proxy-based reconstructions. This also suggests that vegetation-climate interactions could provide a complementary, if not an alternative mechanism,to the large increase of CO2 required by the models to produce the estimated warming at both periods. The results presented in this study highlight the contribution of the biosphere in past climate changes, and therefore emphasise the study of climate and vegetation interactions to better understand past, present and future climate changes. Furthermore, our results also illustrate that considering the vegetation feedback on climate helps to improve the comparison of climate modelling results to proxy-based reconstructions for the studied periods. Ce travail a pour objet l'étude des interactions entre la végétation et le climat au cours de plusieurs périodes du passé géologique de la Terre, à l'aide (1) du modèle dynamique global de végétation CARAIB, et (2) du modèle climatique de complexité intermédiaire Planet Simulator. Les modèles de végé- tation et de climat interagissent via une procédure de couplage asynchrone à l'équilibre. Dans ce travail, les modèles ont été appliqués à l'étude de trois périodes passées, caractérisées par un changement du climat et de la couverture de végétation à grande échelle : le Dernier Maximum Glaciaire, le Pliocène Moyen et le Miocène Moyen. Dans un premier temps, nous avons étudié l'impact de changements des propriétés de surface continentale sur le climat du dernier maximum glaciaire. Un ensemble de tests de sensibilité a été réalisés à l'aide du modèle climatique afin d'évaluer les contributions relatives de changements dans la couverture de végétation, d'une expansion des calottes de glace et d'une augmentation de leur élévation, et d'une diminution de la concentration de dioxyde de carbone dans l'atmosphère. Les résultats obtenus permettent de mettre en évidence l'impact non-négligeable du changement de végétation sur le climat. Ce dernier changement provoque en effet une diminution des températures, accompagnée d'une réduction des précipitations en moyenne globale. De plus, le changement de végétation renforce les refroidissements obtenus, lorsqu'il est combiné aux autres modifications de la couverture de surface. D'autre part, nous avons modélisé les climats et distributions de végétation du Pliocène Moyen et du Miocène Moyen. Les résultats obtenus témoignent d'un climat plus chaud et plus humide que le climat actuel au cours de ces deux périodes, et par conséquent, d'une réduction des écosystèmes désertiques au profit d'une expansion et densification des écosystèmes forestiers, particulièrement aux hautes latitudes. Ces résultats sont en bon accord avec les résultats de précédentes études de modélisation, ainsi qu'avec les observations. Nos résultats montrent également que la rétroaction de la végétation, en réponse au changement climatique, peut avoir contribué à maintenir, et même à intensier, les conditions chaudes et humides au Pliocène Moyen et au Miocène Moyen produites par les autres facteurs climatiques. Cela suggère également que les interactions végétation-climat pourraient constituer un mécanisme complémentaire, si pas alternatif, à l'importante augmentation de la concentration de CO2 atmosphérique requise par les modèles pour produire les réchauffements estimés aux périodes considérées, et dès lors réconcilier les résultats de modélisation et les estimations basées sur les données, notamment pour Miocène Moyen. Cette étude souligne donc l'importance du rôle joué par la biosphère dans les changements climatiques passés, ainsi que la nécessité de la prise en compte des interactions végétation-climat lors de la simulation de climats passés à l'aide de modèles climatiques et de végétation. De plus, les résultats obtenus montrent, du moins pour les périodes étudiées ici, que la prise en compte des rétroactions de la végétation sur le climat aident à améliorer la comparaison des résultats de modélisation aux reconstructions basées sur des données.

Three dimensional flow regimes are encountered in many types of industrial flow processes such as filtration, mixing, reaction engineering, polymerization and polymer forming as well as environmental systems. Thus, the analyses of phenomena involved fluid flow are of great importance and have been subject of numerous ongoing research projects. The analysis of these important phenomena can be conducted in laboratory through experiments or simply by using the emerging computational fluid dynamics (CFD) techniques. But when dealing with three dimensional fluid flow problems, the complexities encountered make the analysis via the traditional experimental techniques a daunting task. For this reason, researchers often prefer to use the CFD techniques which with some care taken, often produce accurate and stable results while maintaining cost as low as possible. Many CFD codes have been developed and tested in the past decades and the results have been successful and thus encouraging researchers to develop new codes and/or improve existing codes for the solutions of real world problems. In this present project, CFD techniques are used to simulate the fluid flow phenomena of interest by solving the flow governing equations numerically through the use of a personal computer. The aim of this present research is to develop a robust and reliable technique which includes a novel aspect for the solution of three dimensional generalized Newtonian fluids in domains including obstructions, and this must be done bearing in mind that both accuracy and cost efficiency have to be achieved. To this end, the finite element method (FEM) is chosen as the CFD computational method. There are many existing FEM techniques namely the streamline upwind Petrov-Galerkin methods, the streamline diffusion methods, the Taylor-Galerkin methods, among others. But after a thorough analysis of the physical conditions (geometries, governing equations, boundary conditions, assumptions …) of the fluid flow problems to be solve in this project, the appropriate scheme chosen is the UVWP family of the mixed finite element methods. It is scheme originally developed to solve two dimensional fluid flow problems but since the scheme produced accurate and stable results for two dimensional problems, then attempt is made in this present study to develop a new version of the UVWP scheme for the numerical analysis of three dimensional fluid flow problems. But, after some initial results obtained using the developed three dimensional scheme, investigations were made during the course of this study on how to speed up solutions' convergence without affecting the cost efficiency of the scheme. The outcomes of these investigations yield to the development of a novel scheme named the modified three dimensional UVWP scheme. Thus a computer model based on these two numerical schemes (UVWP and the Modified UVWP) is developed, tested, and validated through some benchmark problems, and then the model is used to solve some complicated tests problems in this study. Results obtained are accurate, and stable, moreover, the cost efficiency of the computer model must be mentioned because all the simulations carried out are done using a simple personal computer.

This thesis addresses the problem of damage at elevated temperature with a view to analysing transverse cracking during the continuous casting of microalloyed steels. Based on the results of a previous project undertaken at the University of Liège to simulate the continuous casting process at the macroscopic level, the present research aims at studying the damage growth using a finite element mesoscopic approach that models the grains structure of the material. The developments are done at the mesoscopic scale using information from both the microscopic and macroscopic levels. In order to determine the constitutive laws governing the damage process at the mesoscopic scale, the physical mechanisms leading to the apparition of cracks during steel continuous casting are first investigated. It is acknowledged that in the studied temperature range (800 to 1200 °C), the austenitic grain boundary is a favourable place for cracks to initiate and propagate. The mechanisms of voids nucleation, growth and coalescence are established, the cavities evolving under diffusion and creep deformations. Having identified the damage mechanisms occurring under continuous casting conditions, a numerical approach for the modelling of these phenomena at the grain scale is proposed. The mesoscopic model, which is implemented in the Lagrangian finite element code LAGAMINE developed at the University of Liège, is built on the basis of a 2D mesoscopic cell representative of the material. The finite element discretization comprises solid elements inside the grains and interface elements on the grains boundaries. An elastic-viscous-plastic law of Norton-Hoff type, which represents the thermo-mechanical behaviour of the material, is associated to the solid elements for the modelling of the grains; and a damage law accounting for cavitation and sliding is linked to the interface elements for the modelling of the damage growth at the grains boundaries. The transfer between the macroscopic and mesoscopic scales is realised by imposing the stress, strain and temperature fields, collected during the parent macroscopic simulation, as boundary conditions on the mesosopic cell. Macroscopic experiments, analytical computations and finite element simulations, as well as literature review and microscopic analyses, are used to define the parameters of the material laws. The experimental results and the identification methodology leading to the definition of the set of parameters specific to the studied steel are described. Finally, the influence of oscillation marks and process defects on cracks formation during the industrial process of continuous casting is analysed. The results are compared with in-situ observations and cracking risk indicators computed by the macroscopic model.

Traiter les problèmes que pose la mobilité urbaine aujourdhui nécessite entre autres, lélaboration dune banque de données complète, capable de supporter les analyses qualitatives et quantitatives du système de transport et den évaluer lévolution en rapport aux éventuels changements de lensemble du système urbain. Les données relatives au domaine des transports sont indispensables à lalimentation des modèles de trafic, à lanalyse de la mobilité globale et aux suivis et à la gestion des conditions découlement du trafic au travers dun réseau de transport donné, dans le temps et dans lespace (Taylor M. et al, 1996; Bonnel P., 2004). Cependant, ces données sont très souvent collectées séparément selon les objectifs poursuivis par le planificateur. En effet, la planification urbaine ou la planification des transports en commun présente des objectifs différents de celle, par exemple, des trafics routiers et autoroutiers (Meyer M. et al, 2001). Ces planifications seffectuent généralement sans trop tenir compte des interactions qui sétablissent entre elles. Ainsi, fournir des solutions adéquates aux problèmes de mobilité urbaine, nécessite la prise en considération des aspects environnementaux et de lensemble des caractéristiques de lespace urbain : le système de transport et le système des localisations et des activités socio-économiques (Cancalon F. et al, 1991 ; Bonnel P., 2004). Les solutions ainsi générées doivent provenir dune approche intégrée de la planification des transports (Meyer M. et al, 2001). De plus, il a été pris en considération des éléments de modélisation de données (les GIS-T models) développés par (Dueker et al, 1997). Cest dans cette optique que cette recherche se propose dappréhender la question de la mobilité urbaine par une approche systémique de lespace urbain. Celui-ci sera caractérisé par lensemble des données qui le constitue afin de mettre en lumière les relations qui sous tendent la structure urbaine en question. Il sera ainsi développé un modèle intégré de données nécessaires à lanalyse de la mobilité urbaine : MIDAM. Ensuite, sur la base de MIDAM et de la synthèse de la littérature en matière de données « transports » et sur les logiciels de gestion de trafic, il a été possible de démontrer la faisabilité dun outil intégré « VISUTRANS » pour le suivi des politiques de transports ; la modélisation et les effets des transports urbains sur lenvironnement. Enfin, une méthodologie pratique quant à la manière dappréhender la mobilité urbaine est proposée avec pour cas dapplication la ville de Liège - Belgique.

Managing, handling, exchanging and accessing hydrogeological information depend mainly on the applied hydrogeological data models, which differ between institutions and across countries. Growing interest in hydrogeological information diffusion, combined with a need for information availability, require the convergence of hydrogeological data models. Model convergence makes hydrogeological information accessible to multiple institutions, universities, administration, water suppliers, and research organisations, at different levels: from the local level (on-site measurement teams), to national and international institutions dealing with water resources management. Furthermore, because hydrogeological studies are complex, they require a large variety of high-quality hydrogeological data with appropriate metadata in clearly designed and coherent structures. To respond to the requirement of model convergence, easy information exchange and hydrogeological completeness, new data models have been developed, using two different methodologies. At local-regional level, the HydroCube model has been developed for the Walloon Region in Belgium. This logical data model uses entity-relationship diagrams and it has been implemented in the MS Access environment, further enriched with a fully functional user-interface. The HydroCube model presents an innovative holistic project-based approach, which covers a full set of hydrogeological concepts and features, allowing for effective hydrogeological project management. This approach enables to store data about the project localisation, hydrogeological equipment, related observations and measurements. Furthermore, topological relationships facilitate management of spatially associated data. Finally, the model focuses on specialized hydrogeological field experiments, such as pumping tests and tracer tests. At the international level, a new hydrogeological data model has been developed which guarantees hydrogeological information availability in one standard format in the scope of the FP6 project GABARDINE (Groundwater Artificial recharge Based on Alternative sources of wateR: aDvanced Integrated technologies and management). The model has been implemented in the ArcGIS environment, as a Geospatial Database for a decision support system. The GABARDINE Geospatial Database uses advantages of object-oriented modelling (UML), it follows standards for geoscientific information exchange (ISO/TC211 and OGC), and it is compliant with the recommendations from the European Geospatial Information Working Group. Finally, these two developed models have been tested with hydrogeological field data on different informatics platforms: from MS Access, through a proprietary ArcGIS environment, to the open source, free Web2GIS on-line application. They have also contributed to the development of the GroundWater Markup Language (GWML) Canadian exchange standard, compliant with Geographic Markup Language (GML). GWML has the potential of becoming an international HydroGeology Markup Language (HgML) standard with a strong and continuous support from the hydrogeological community.