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Guyonnet-Benaize, Cédric. "Modélisation 3D multi-échelle des structures géologiques de la région de la faille de la moyenne Durance (SE France)". Thesis, Aix-Marseille 1, 2011. http://www.theses.fr/2011AIX10050.
Pełny tekst źródłaThe complexity of geological structures in Middle Durance region makes difficult the characterization and evaluation of seismic risk in this region. Understanding these structures in 3D requires to use modern techniques of 3D digital modelling in order to achieve the 3D geological models of the bedrock with coherence on different scales, to perform ground motion simulations. Building 3D geological models need to normalize heterogeneous geophysical and geological databases (oil boreholes, geotechnical boreholes, seismic profiles, H/V geophysical profiles, high and low resolution geological mapping, biostratigraphic dating,...) in the 3D software gOcad. The realization of 3D geological models allows to characterize the 3D geometry of main the tectonic structures in Middle Durance region, including the Middle Durance Fault Zone (ZFMD) and the high resolution geometry of geological bedrock of the Cadarache Valley, and in particular its tertiary sedimentary fill. Our study allows to specify the ZFMD 3D geometry and its role on the adjacent geological structures. The ZFMD is a transfer zone that limits lateral extension and changes the geometry of folds and thrusts. The Middle Durance tectonic structures are characterized by a thin-skin deformation. Salt tectonics plays an important role in this deformation (detachment level, training and 3D geometry of folds). At the scale of the Valley of Cadarache, outcrop geological study coupled with boreholes geostatistical study allows to perform a 3D simulation of the spatial distribution of facies and to propose a 3D sedimentary model for the Tertiary filling of the Cadarache Valley. It is characterized by sedimentation in two steps: a first step of filling by important detrital inputs from the Southeast, related to the erosion of the Maures-Esterel massif, a second step of filling by deposits of fluvial meandering sand-dominant environment with high-sinuosity. Finally, building multi-scale 3D models allows explaining the formation of the Valley of Cadarache in the geodynamic context of the Middle Durance region at Tertiary times, and particularly under the influence of the Pyrenean compression and ZFMD on the Middle Durance region and the Valley of Cadarache
Laouici, Imadeddine. "Geological knowledge formalization and automation of the structural interpretation process for building 3D architectures of the sub-surface". Electronic Thesis or Diss., Orléans, 2024. https://theses.univ-orleans.fr/prive/accesESR/2024ORLE1072_va.pdf.
Pełny tekst źródłaCurrent systems used to build 3D structural geological models offer essential solutions for geometric representations, but often rely on expert interpretations and the existing mathematical formalism. One of the scientific challenges is the inability of these systems to be deeply involved in the interpretation process due to the tacit use of knowledge by experts. This leads to problems of sharing and integrating knowledge in systems, as well as issues in reproducing and communicating models. This research explores an innovative modeling approach, centered on the notion of interpretation and the explicit use of knowledge. In this context, two major contributions are proposed: an interpretation formalism supported by a prototype algorithm, and an ontological framework to formalize the knowledge used by experts during the modeling process
Godefroy, Gabriel. "Modélisation cinématique et stochastique des failles à partir de données éparses pour l’analyse des incertitudes structurales". Thesis, Université de Lorraine, 2018. http://www.theses.fr/2018LORR0052/document.
Pełny tekst źródłaThe sparsity and the incompleteness of geological data sets lead geologists to use their prior knowledge while modeling the Earth. Uncertainties in the interpretation are an inherent part of geology. In this thesis, I focus on assessing uncertainties related to the modeling of faulted structures from sparse data. Structural uncertainties arise partly from the association of fault evidence explaining the same structure. This occurs especially while interpreting sparse data such as 2D seismic lines or limited outcrop observations. I propose a mathematical formalism to cast the problem of associating fault evidence into graph theory. Each possible scenario is represented by a graph. A combinatorial analysis shows that the number of scenarios is related to the Bell number and increases in a non-polynomial way. I formulate prior geological knowledge as numerical rules to reduce the number of scenarios and to make structural interpretation more objective. I present a stochastic numerical method to generate several interpretation scenarios. A sensitivity analysis, using synthetic data extracted from a reference model, shows that the choice of the interpretation rules strongly impacts the simulated associations. In a second contribution, I integrate a quantitative description of fault-related displacement while interpreting and building 3D subsurface models. I present a parametric fault operator that displaces structures closely surrounding a fault in accordance with a theoretical isolated normal fault model. The displacement field is described using the maximum displacement (Dmax), two profiles on the fault surface (TX and TZ), and a third profile representing the displacement attenuation in the normal direction to the fault surface. These parameters are determined by numerical optimization from the available structural observations. This kinematic fault operator ensures the kinematic consistency of structural models built from sparse data and/or in polyphasic deformation contexts. These two modeling methodologies are tested and discussed on two data sets. The first one contains nine seismic lines imaging a faulted and fractured basement in the Ifni Margin, offshore Morocco. The interpretation of these lines is guided by orientation measurements coming from a nearby onshore field analog. However, uncertainties remain on the association of observations and on the structure chronology. The second data set is located in the Santos Basin, offshore Brazil. A seismic cube exhibits normal faults within a layered sedimentary sequence. I build a reference structural model from this high quality seismic data. The kinematic and stochastic methodologies can be tested and discussed on synthetic sparse data extracted from this known reference model
Souloumiac, Pauline. "Mécanismes 3D de ruine en géologie structurale : approches numérique et analogique". Phd thesis, Ecole Centrale Paris, 2009. http://tel.archives-ouvertes.fr/tel-00453317.
Pełny tekst źródłaMejía-Herrera, Pablo-Eliécer. "Apport de la modélisation 3D et de la restauration structurale dans la compréhension des gisements de matières premières minérales". Thesis, Université de Lorraine, 2014. http://www.theses.fr/2014LORR0308/document.
Pełny tekst źródłaThe objective of this Ph.D. thesis is to apply 3D and 4D modeling methods to reconstruct the architecture and deformations over time of geological entities in a defined region. Structural restoration modeling is used here to estimate geological, physical and structural attributes for understanding the origin of ore-deposits, and for identifying potential mineralized areas. We focused this thesis on 3D and 4D modeling on real case studies with different geological contexts (e.g. uplifting, fault activity and shortening), demonstrating the advantages and drawbacks on their use for similar situations. This thesis is organized into three parts: (i) the application of structural modeling in the mining district of the Copper Belt of Legnica-Glogów (south-west Poland). A surface-restoration approach was applied to estimate favorable conditions for hydraulic fracturing during an inversion, occurred in the northern part of Europe at Late Cretaceous--Early Paleocene. In our hypothesis, hydraulic fracturing developed at that time played an important role in the distribution of copper content observed in present days in the mining district. (ii) The curvature calculated on triangulated surfaces that represent the stratigraphic horizons in the Fore-Sudetic region (Poland), are used to highlight the fault systems in the basement as well as their activity. High curvature values reveal the fault activity which is associated with the copper mineralization process in the region. (iii) Mechanical restoration of the Mount Pleasant, Western Australia, simulates an Archean shortening event which occurred in the area linked to the gold mineralization process. The mechanical restoration was used to estimate the strain field in the region at the time of shortening. This deformation field was used to estimate the damage parameters of the rock mass. They show new potential gold areas located in off-fault gold systems. In conclusion, it is shown that 3D modeling and structural restoration could be used to identify potential favorable zones for the presence of mineralization, and seem promising as a tool for the exploration of ore-deposits and mineral resources
Gabalda, Sunsearé. "Processus d'exhumation dans les Alpes occidentales : modélisation géométrique et reconstitution géodynamique sur la transversale Chartreuse-Maurienne, une approche multi-échelle". Phd thesis, École Nationale Supérieure des Mines de Paris, 2008. http://pastel.archives-ouvertes.fr/pastel-00005248.
Pełny tekst źródłaPerrouty, Stéphane. "Évolution structurale de la ceinture minéralisée d'Ashanti, SO Ghana". Toulouse 3, 2012. http://thesesups.ups-tlse.fr/1796/.
Pełny tekst źródłaThe Paleoproterozoic Ashanti Belt hosts numerous world class gold deposits such as the Obuasi deposit (60 million ounces) and the Tarkwa deposit (40 million ounces). Characterising the regional structural and magmatic evolution provides new insight into the geotectonic context forming these deposits. In this work, we propose (1) a new geologic and structural map of the area using field observations and airborne geophysical data, (2) a structural context of early gold mineralisation in the Wassa mine, (3) an interpretation of the magmatic evolution during the Eburnean Orogeny and (4) a three-dimensional model of the Ashanti Belt showing possible litho-structural control of the mineralisations
Bellot, Jean-Philippe. "La structure de la croûte varisque du Sud-Limousin (Massif-Central français) et ses relations avec les minéralisations aurifères tardi-orogéniques : apport des données géologiques, gitologiques, géophysiques et de la modélisation 3D". Montpellier 2, 2001. http://www.theses.fr/2001MON20214.
Pełny tekst źródłaLégaré-Couture, Guillaume. "Hydrostratigraphie et modélisation géologique 3D du sud-ouest de la Mauricie". Thèse, Université du Québec à Trois-Rivières, 2013. http://depot-e.uqtr.ca/7310/1/030621770.pdf.
Pełny tekst źródłaGonçalvès, Julio. "Modélisation 3D de l'évolution géologique du bassin de Paris : implications diagénétiques et hydrogéologiques". Paris 6, 2002. http://www.theses.fr/2002PA066526.
Pełny tekst źródłaAug, Christophe. "Modélisation géologique 3D et caractérisation des incertitudes par la méthode du champ de potentiel". Phd thesis, École Nationale Supérieure des Mines de Paris, 2004. http://pastel.archives-ouvertes.fr/pastel-00001077.
Pełny tekst źródłaDurand-Riard, Pauline. "Gestion de la complexité géologique en restauration géomécanique 3D". Thesis, Vandoeuvre-les-Nancy, INPL, 2010. http://www.theses.fr/2010INPL055N/document.
Pełny tekst źródłaRestoration is a structural geology tool which usefulness has been shown in various fields, such as the understanding of deformation mechanisms, fracture forecasting, or structural models validation. In 3D, the geomechanical approach is particularly promising as it allows the deformation at any point in the model to be infered, but also to account for material property contrasts. However, it requires to generate a tetrahedral mesh, a step that may be, so far, extremely difficult, particularly when the geometry of the model is complex (interconnected faults, faults with small throws, unconformities or layer pinch-out).Implicit modeling consists in representing stratigraphic horizons by property isovalues, allowing most meshing issues to be overcame. In a first part, a geomechanical restoration method suitable for implicit models is presented. The second part of this work focuses on the application of this method to complex cases. New behavioral laws and boundary conditions have been developed, and sensitivity studies to these parameters have been performed. This work is applied to a petroleum basin located in the Niger delta toe where the restoration allows the structural evolution of the system to be constrained. The last part presents the integration of a 3D isostatic decompaction method into the 3D restoration process. Applied to the Annot Sandstones syncline (SE France), this method allows to characterize the deformation and burial history of the basin
Cheaito, Mohamad. "Approche de la modélisation d'objets géologiques déformés. Conception, structure logique et algorithmique, résultats". Phd thesis, Saint-Etienne, 1993. https://theses.hal.science/tel-00838753.
Pełny tekst źródłaCheaito, Mohamad. "Approche de la modélisation d'objets géologiques déformés : conception, structure logique et algorithmique, résultats". Phd thesis, Ecole Nationale Supérieure des Mines de Saint-Etienne, 1993. http://tel.archives-ouvertes.fr/tel-00838753.
Pełny tekst źródłaLabeau, Yannis. "Couplage de la modélisation géologique 3D et de la modélisation hydro-thermique : apport à la compréhension du système géothermique du Lamentin (Martinique)". Thesis, Antilles, 2018. http://www.theses.fr/2018ANTI0375.
Pełny tekst źródłaGeothermal energy has become one of the recognized processes to supply energy and to stop significantly the emission of greenhouse effect gases in the atmosphere. This classical renewable energy consists to extract thermal energy into the Earth and to produce heat, cooling and/or electricity. But particularly for the last case, only a few places in the world can exploit it. Indeed, the geothermal reservoir must be permeable and easily accessible.The subduction setting of the Lesser Antilles is favorable to the presence of geothermal reservoirs but its insularity and its volcanic nature have a negative impact on the exploration phases. The influence of the sea on electromagnetic methods, dense bush and the strong urban development add other obstacles. Thus, the risk of failure increases. Consequently, the localization and the characterization of the geothermal reservoir must be more precise. Facing these many constraints, it is essential to apply adapted methodologies and to build the best conceptual model as possible.The coupling of numerical models is presented and applied to the low enthalpy geothermal system of Lamentin, in Martinique. This approach could be developed for other countries with the same geodynamical context. The Geomodeller software and the ComPASS Code are the two numerical tools which have been employed to generate a 3D geological model then to simulate the hydrothermal aspect.The building of the 3D model gives elements of knowledge and thinking about the geothermal system of Lamentin and the hydrothermal simulations suggest some hypothesis on the localization and the intensity of the heat source
Monod, Bernard. "Évolution Néogène de la partie centrale des Andes de Mérida (Venezuela) : analyse structurale, modélisation géologique et numérique d'un système en échappement". Phd thesis, Université de Pau et des Pays de l'Adour, 2009. http://tel.archives-ouvertes.fr/tel-00492032.
Pełny tekst źródłaDesgagné, Étienne. "Conception et développement d'un SIG 3D dans une approche de service Web. Exemple d’une application en modélisation géologique". Thesis, Université Laval, 2010. http://www.theses.ulaval.ca/2010/27472/27472.pdf.
Pełny tekst źródłaSeveral application domains like Geology, Archeology and Architecture require an explicit management of the 3rd dimension to adequately support the analysis and decision-making process. But do we currently have the adequate tools to manage this 3rd dimension? For example, Computer Assisted Design (CAD) systems are reliable for modeling solids but have limited capability for spatial analysis and data storage. Geographic Information Systems (GIS) and Database Management Systems (DBMS) can handle visualization and storage for some 3D models but they only offer a small portion of the modeling and analysis capacities that they generally offer in 2D. Meanwhile, the International Organization for Standardization (ISO) and the Open Geospatial Consortium OGC started to update some of their standards like the ISO 19107 Spatial Schema and the Geography Markup Language (GML) in order to normalize the management of the 3rd dimension of spatial data. The current study provides a report on the capabilities of available geotechnologies to manage 3D spatial data and presents the fundamental characteristics of a new 3D-GIS based on a multi-tiered approach (client, server and database) with built-in web services. The architecture of this system provides a user with geometrical modeling, spatial analysis and querying capabilities of a 3D model stored with his descriptive properties in a database on a remote server. All this, carried out through the Web and implementing standards such as the WFS specification, the GML language and the ISO 19107 Spatial Schema. To test the feasibility of these proposals, a prototype of a Web Geological Feature Server (WGFS) is developed. The WGFS is an open source based framework that provides read/write access from the CAD software Gocad to 3D geological data (extracted from SIGEOM database) stored in XML format in a MySQL database. Its application server (Tomcat coupled to Deegree), gathers applicative logic as well as the bases of a 3D spatial operators library whose first operator, the 3D bounding box, has been implemented.
Desgagné, Étienne. "Conception et développement d'un SIG 3D dans une approche de service Web : exemple d'une application en modélisation géologique". Master's thesis, Université Laval, 2010. http://hdl.handle.net/20.500.11794/21350.
Pełny tekst źródłaSeveral application domains like Geology, Archeology and Architecture require an explicit management of the 3rd dimension to adequately support the analysis and decision-making process. But do we currently have the adequate tools to manage this 3rd dimension? For example, Computer Assisted Design (CAD) systems are reliable for modeling solids but have limited capability for spatial analysis and data storage. Geographic Information Systems (GIS) and Database Management Systems (DBMS) can handle visualization and storage for some 3D models but they only offer a small portion of the modeling and analysis capacities that they generally offer in 2D. Meanwhile, the International Organization for Standardization (ISO) and the Open Geospatial Consortium OGC started to update some of their standards like the ISO 19107 Spatial Schema and the Geography Markup Language (GML) in order to normalize the management of the 3rd dimension of spatial data. The current study provides a report on the capabilities of available geotechnologies to manage 3D spatial data and presents the fundamental characteristics of a new 3D-GIS based on a multi-tiered approach (client, server and database) with built-in web services. The architecture of this system provides a user with geometrical modeling, spatial analysis and querying capabilities of a 3D model stored with his descriptive properties in a database on a remote server. All this, carried out through the Web and implementing standards such as the WFS specification, the GML language and the ISO 19107 Spatial Schema. To test the feasibility of these proposals, a prototype of a Web Geological Feature Server (WGFS) is developed. The WGFS is an open source based framework that provides read/write access from the CAD software Gocad to 3D geological data (extracted from SIGEOM database) stored in XML format in a MySQL database. Its application server (Tomcat coupled to Deegree), gathers applicative logic as well as the bases of a 3D spatial operators library whose first operator, the 3D bounding box, has been implemented.
Monod, Bernard. "Evolution néogène de la partie centrale des Andes de Mérida (Vénézuela) : analyse structurale, modélisation géologique et numérique d’un système en échappement". Pau, 2009. http://www.theses.fr/2009PAUU3021.
Pełny tekst źródłaThe geology of the Merida Andes is well described at the surface, but its deep structure remains hypothetic. Our work integrated various information coming from geological observations, satellite images and geophysical data to propose a crustal scale deformation model of the mountain belt. In order to better understand the role played by the Bocono fault in the orogeny, we carried out a geomorpho-structural study in the La Gonzalez basin which opening is directly related to the movement along the fault. Based on balanced geological cross-sections and the orogenic float concept, we established a deformation model that explains both the strain partitioning and the escape processes. Major faults traces were used to build a 3D geological model of the orogen. The model shows that the escape of the Trujillo block is controlled by both lateral compression and gravity forces. Finally, we validated the escape model using a 2D numerical simulation that allows a better constraint of the distribution of the deformation. The northward movement of the Trujillo block is not only related to a rigid extrusion controlled by the collision of the Maracaibo block with the Guyana shield. Indeed, roughly one-third of the escape is taken by other processes among which gravitational collapse of the Trujillo block and possibly a slab succion of the south Caribbean subduction zone may play an important role
Aubiès-Trouilh, Alexandre. "Exploitation et mise à disposition de nouvelles techniques de modélisation géologique 3D afin d'apprécier la géométrie des plis-failles". Thesis, Université Laval, 2009. http://www.theses.ulaval.ca/2009/26660/26660.pdf.
Pełny tekst źródłaThe San Corneli anticline located within the Spanish central Pyrenees, is a foreland fault-related fold. This compressive structure developed within the Boixòls thrust sheet during the emplacement of the fold and thrust belt above the Iberian plate during the Meso-Cenozoic. Geometrically, the San Corneli anticline corresponds to a fault propagation fold (8 km by 10 km). Pre-compression extensive structures have been recognized within the anticline. These syntectonic normal faults and fractures were formed during deposition of sediments in the mesozoic rifted basin. The aim of our research is to determine the influence of these normal faults on the development of the San Corneli anticline and their effect on the particular geometry of this fault propagation fold. We used 3D geometrical modeling to gain a better understanding of the relationship between the pre-existing structures and the geometry and kinematics of the fault propagation fold. Furthermore, in this area the vegetative cover is minimal and the San Corneli anticline is very well exposed giving access to numerous field data and facilitating surface modeling of the present geometry of the fold. Our methodology consists, as a first step, in reverse 3D modeling. The geological model volume is restored using the 3D Restoration plugin proposed by gOcad based on cross section balancing. This technique allows to obtain a 3D paleogeographic model, and thus to deduce the location and geometry of preexisting normal faults with depositing sediments in the basin. In order to test different assumptions about the mode of development of this fault propagation fold, we have conducted a series of 3D geometrical models directly from the paleogeographic model. The aim of 3D forward modeling is to revert to the current state of deformation of the model. We were able to better appreciate the chronology of events that have affected the fold and evaluate to what extent the early faults have influenced the kinematics of the San Corneli fold. In this sense, we were able to show that the orientation of pre-existing faults with respect to the regional compressive stress influences the way in which these faults will be reactivated, either in a vertical (reverse) or horizontal sense (strike-slip).
Laurent, Gautier. "Prise en compte de l'histoire géologique des structures dans la création de modèles numériques 3D compatibles". Thesis, Université de Lorraine, 2013. http://www.theses.fr/2013LORR0057/document.
Pełny tekst źródłaThe main approaches to the modelling of geological structures are mainly geometrical, static and deterministic. In other terms, their geometry and connections are determined by applying criteria based on the compatibility with available data in their current state. The evolution of the geological structures is only integrated indirectly by the modeller and the kinematical and mechanical compatibility of the produced models remain difficult to assess. This thesis explores different methods which aim at better including the evolution of geological structures in the modelling process. Three complementary approaches are developed. First, a kinematical fault operator based on a 3D curvilinear fault frame is presented. It aims at progressively deforming the structures surrounding faults. The second approach is based on a pseudo-mechanical deformation tool inspired form computer graphics, based on rigid elements. It is used to interactively editing the structures and approximately simulate their deformation history. The last proposal is to compute the paleo-geographical coordinates from the restoration of geological structures. This way, the heterogeneities are characterised based on paleo-geographic distances which are compatible with the structural, kinematical and mechanical hypotheses specified when building the geological model. These different contributions open numerous perspectives to better take into account the evolution of the geological structures when modelling the subsurface and its heterogeneities. They help us to increase the compatibility of geomodels and simplify the parameterization of geological deformation to facilitate the characterisation of geological structures by inverse approaches
Moniot, Antoine. "Modélisation 3D de complexes ARN-protéine par assemblage combinatoire de fragments structuraux". Electronic Thesis or Diss., Université de Lorraine, 2022. http://www.theses.fr/2022LORR0339.
Pełny tekst źródłaThe characterization of RNA-protein complexes at the atomic scale allows us to better understand the biological functions of these complexes, and to define therapeutic targets to regulate the biological phenomena in which they participate. The aim of this thesis is to develop tools to predict the structure of a protein-RNA complex when a 3D structure of the protein is known as well as the secondary structure of the interacting RNA part. We focus on the case where RNA is mainly in single-stranded form (unpaired nucleotides), raising the difficulty of its flexibility.A docking method developed in the CAPSID team is based on the use of structural fragments of single-stranded RNA. The work of this thesis builds on this method to perform docking of RNA secondary structures. We first evaluated the contribution of a loop closure constraint for docking the single-stranded loop of a hairpin structure, and then addressed the docking of the double-stranded elements of these structures, paving the way for the assembly of the entire complex.This fragment-based docking method is dependent on the use of structural fragment libraries. These libraries are composed of prototypes that represent the conformational landscape experimentally observed in protein-bound RNA structures. A large part of the thesis work consisted in the creation and optimization of such fragment libraries.We created the ProtNAff tool that allows to extract subsets of structures from the PDB and to create libraries of nucleic acid fragments, following complex combinations of criteria. It has been designed to exceed our needs, so that it can be adopted by the community for the treatment of various problems.We have developed a new approach for inferring prototypes of a set of conformations. The set of prototypes must satisfy two contradictory constraints: to be representative (in the sense of the metric) and of cardinality as small as possible. The problem thus reduces to that of inferring an epsilon-network of minimal cardinality. We treat it in all its generality by discussing the spaces on which the data are defined. Our method is based on hierarchical agglomerative classification with as linkage the radius of the minimum balls enclosing the points of each subset. Applied to our libraries, this approach reduced their size by a factor of 4, and our docking computation time by the same amount, while improving their reliability.Finally, to overcome the problem posed by the pairwise superimposition of structures, we used a representation of the fragments in internal coordinates, allowing to reduce further the computation time for the creation of libraries
Pizzella, Laure. "Prise en compte d’une anisotropie variable en modélisation géologique 3D par la méthode implicite du potentiel : application aux structures plissées". Electronic Thesis or Diss., Université Paris sciences et lettres, 2020. https://pastel.hal.science/tel-03525009.
Pełny tekst źródłaThree-dimensional geological modelling methods aim at building relevant and coherent underground numerical models based on field-collected data. So-called implicit methods, which have been increasingly used, allow to construct a potential field from contact and orientation data of observed geological units. These numerical models allow to extract isopotential surfaces and interpret them as geological surfaces. In this framework, the “Potential Field Method”, introduced over 20 years ago by MINES ParisTech and BRGM, use geostatistical tools, like the means of co-kriging interpolation, to construct these potential fields. Despite having been extensively used, these modelling methods still exhibit some limitations when confronted to complex models. Non-cylindrical folds, mineralized veins or channel networks, among other geological structures, present a clearly identifiable and spatially variable preferential orientation, called anisotropy. Often, the amount and/or spatial distribution of available data do not allow a unique and accurate representation of the variable anisotropy. This PhD work aims at overcoming these limitations through the integration of anisotropy data as an input to the implicit method. Two approaches have been developed and studied: (1) A first approach takes advantage of first or second derivative data to locally constrain the anisotropy of the potential field. This approach was developed in the framework of polyphase foldings, an iconic example of the variable anisotropy problematic due to its inherent requirement of surface curvature constraints. For this approach, benefits of different input data are compared. (2) A second approach suggests to interpret the potential field as the convolution between a white noise and a gaussian kernel. This allows to mathematically and explicitly describe the anisotropy properties, which can either be interpolated from sampled data or built based on geologist’s interpretation. Finally, applications of either methods are compared and their respective advantages and drawbacks, in regard of the target applications, are discussed
Fournillon, Arnaud. "Modélisation géologique 3D et hydrodynamique appliquées aux réservoirs carbonatés karstiques : caractérisation des ressources en eau souterraine de l'Unité du Beausset (SE France)". Phd thesis, Aix-Marseille Université, 2012. http://tel.archives-ouvertes.fr/tel-00830331.
Pełny tekst źródłaLiu, Yi. "Modélisation 3D des écoulements et du transport solide dans un bassin à cavités". Thesis, Strasbourg, 2017. http://www.theses.fr/2017STRAD015/document.
Pełny tekst źródłaThe investigation on sediment transport in tanks is mainly for optimizing the design of tank in stormwater system and sewers. The flow pattern is the primary factor controlling the movement of particle. Therefore, the emphasis of this investigation is to determine the flow pattern and estimate the deposition of particle. Both computational fluid dynamics and experimental methods are applied to accomplish the research. Numerical simulation are processed by using three different geometries, where a volume of fluid model is applied for tracking the free-surface and a discrete phase model is used for calculation of particle trajectory, and an user defined function based on Shields curve is implemented to the boundary for improving the simulation on sedimentation. A series of experiments are carried out in a rectangular tank with a cavity, where velocity measurements are finished for experiments under different conditions and the sediment deposition is recorded. The comparison between numerical simulation and experimental results show better agreement in the prediction of flow, the improvement on particle deposition needs further modification in the particle tracking model
Audouin, Olivier. "Intégration - inversion de données géologique et mesures hydrodynamiques in-situ pour le conditionnement d'un modèle 3D d'aquifère calcaire : site expérimental hydrogéologique (SEH) de Poitiers, France". Poitiers, 2007. http://www.theses.fr/2007POIT2294.
Pełny tekst źródłaThis work synthesizes knowledge about the aquifer investigated by the Hydrogeological Experimental Site of Poitiers. Flowpath structure has been identified from lithostratigraphic core analysis and borehole logging data. The flow is governed by karstic structures and fractures. Karstic levels are constrained within 3 sub-horizontal geological levels. The interconnectivity between these levels seems controlled by the sub-vertical fractures. The hydrodynamic characterization of flowpaths is based on the interpretation of slug test. A new model has been developed, which takes into account inertial effects and fractional flow dimension. Sensibility analysis shows that the two key parameters are the flow dimension and the hydraulic conductivity. The results show that diffusivity values of hydraulic connection vary over several orders of magnitude and allow hydraulic response at far observation wells. Knowledge about geology and flowpath structure is incorporated into a model of HES based on a composite approach DFN / heterogeneous continuous medium. Results allow to reproduce satisfactorily the unusual hydraulic behavior of HES, particularly the spatial and time similarity of drawdown curves
Segonds, David. "Intégration de l'approche paramétrique dans le géomodeleur GOCAD". Vandoeuvre-les-Nancy, INPL, 1998. http://docnum.univ-lorraine.fr/public/INPL_T_1998_SEGONDS_D.pdf.
Pełny tekst źródłaDelavaud, Elise. "Simulation numérique de la propagation d'ondes en milieu géologique complexe : application à l'évaluation de la réponse sismique du bassin de Caracas (Venezuela)". Paris, Institut de physique du globe, 2007. http://www.theses.fr/2007GLOB0010.
Pełny tekst źródłaPairazian, Karen. "Modélisation 3D des réservoirs pétroliers par l'intégration des données sismiques et géologiques : approches quantitatives multivariables". Vandoeuvre-les-Nancy, INPL, 1998. http://www.theses.fr/1998INPL133N.
Pełny tekst źródłaChalaron, Edouard. "Modélisation numérique et signature géologique des interactions entre tectonique, érosion et sédimentation dans l'avant-pays himalayen". Phd thesis, Université de Grenoble, 1994. http://tel.archives-ouvertes.fr/tel-00723716.
Pełny tekst źródłaDevillé, Julie. "Etude structurale des cassures d'hélices et son application à la modélisation des récepteurs couplés aux protéines G (RCPG)". Phd thesis, Université d'Angers, 2007. http://tel.archives-ouvertes.fr/tel-00346950.
Pełny tekst źródłaMariez, Olivier. "Modélisation de solides par synthèse de l'analyse d'images 3D et de modèles à base de surfaces non-variétées". Vandoeuvre-les-Nancy, INPL, 1998. http://www.theses.fr/1998INPL034N.
Pełny tekst źródłaCoutinho, Artur Paiva. "Importance de l’hétérogénéité structurale de la zone non saturée pour la modélisation de l’écoulement à méso-échelle". Thesis, Lyon, 2016. http://www.theses.fr/2016LYSET012/document.
Pełny tekst źródłaUnderstanding preferential flows in the vadose zone is a prerequisite for a proper management of infiltration basins. The studied infiltration basin lies on a strongly heterogeneous glaciofluvial deposit made of a predominant lithofacies that embeds lenses of sand and gravel. Geophysics (GPR) were used to characterize the lithological heterogeneity along radar-grammes (sections few meters deep and dozens of meters long). Flow was modelled for all these sections and compared to a synthetic section filled only with the predominant lithofacies (control). Numerical results show that, under unsaturated conditions, the lithological heterogeneity has a strong impact on flow with the establishment of preferential flows induced by capillary-barrier effects in the vicinity of lenses of sand and gravel. These effects have also consequences on water fluxes at surface (infiltration and runoff) and depend strongly on the section considered for numerical modelling. It can thus be concluded that the spatial variability of lithological heterogeneity induces a spatial variability of preferential flow. Geometrical and architectural parameters were defined to quantity lithological heterogeneity and link it to preferential flows, with the aim to propose a first step towards modelling flow in the basin at the meso-scale
O entendimento do fluxo na zona não saturada em formações heterogêneas é um prérequisito para uma gestão adequada de poluentes em bacias de infiltração inseridas nessas formações. Este estudo aborda o efeito da heterogeneidade litológica nos processo de escoamento numa bacia de infiltração com geologia inserida num depósito fluvioglacial. A bacia de infiltração é a Bacia Django Reinhardt, existente em Lyon. Esta bacia foi objeto de vários estudos que demonstraram algumas avaliações do impacto da heterogeneidade do solo. Os objetivos desses trabalhos foram todos baseados apenas no estudo sedimentológico de uma trincheira. Nenhum estudo abordou a potencial variabilidade espacial dos atributos do solo. Neste trabalho, foi modelizado o fluxo na zona vadosa através de três casos: drenagem interna, infiltração de água durante um evento de precipitação pluviométrica constante e solicitação hidrológica a partir de um fluxo variável escoamento superficial. Estes cálculos foram realizados para várias seções, que foram previamente caracterizadas quanto a sua heterogeneidade estrutural usando a técnica não destrutiva do GPR com uma frequência de 200MHz e 100MHz. O comportamento hidráulico dessas seções foi comparado com a de uma seção homogênea. Foi comparada o efeito da resolução da imagem nas estimativas das variáveis de fluxo. Alguns indicadores arquiteturais, geométricos e texturais foram propostos para esclarecer e avaliar a variabilidade espacial do efeito da heterogeneidade do solo sobre o fluxo em condições não saturadas. Os resultados mostram claramente que a heterogeneidade gera impactos nas variáveis de fluxo em condições não saturadas. Os impactos dependem da seção considerada.Os resultados mostram também que: a) a heterogeneidade estrutural do subsolo na meso-escala apresenta um efeito sobre a geração de escoamento preferencial e isso independe do tipo de solicitação aplicada na seção; b) O efeito da heterogeneidade se mostrou independentende das condições de contorno aplicadas na superfície; c) Nos períodos de ocorrência de chuvas intensas quem controla o comportamento das variáveis de fluxo é a intensidade de precipitação. No entanto, nos períodos em que ocorre ausência de precipitação, as variáveis de fluxo são controladas pela heterogeneidade da zona não saturada; d) A utilização de diferentes frequências influencia na estimativa das variáveis de fluxo. Isso é decorrente do impacto na quantificação da heterogeneidade decorrente do efeito da resolução de cada antena; e) Os indicadores não apresentaram relação direta com as variáveis de fluxo estudadas. Isso demonstra que o efeito da heterogeneidade não pode ser explicado por um único fator, mas por um conjunto de fatores
Laurent, Aurore. "Modélisation géologique 3D du bassin houiller du Nord-Pas-de-Calais et de son substratum dévonien-carbonifère inférieur : vers une meilleure définition des réservoirs géothermiques profonds". Electronic Thesis or Diss., Université de Lille (2018-2021), 2021. http://www.theses.fr/2021LILUR058.
Pełny tekst źródłaWithin the act on energy transition voted by the French government in 2015, the Hauts-de-France region is committed to invest and develop massively renewable energies by 2050. This objective requires the development of regional alternatives to fossil fuels, in particular low-temperature geothermal energy. In such a perspective, the present PhD study aims to define the geometry of the potential deep geothermal reservoirs in the Nord-Pas-de-Calais (NPC) coal basin district: the brecciated and karstic limestones of the Dinantian (Lower Carboniferous, 360-330 Ma) and the Givetian-Frasnian carbonates (Middle-Upper Devonian, 388-372 Ma).These reservoirs form part of a large-scale carbonate platform developed onto the southern Avalonian margin from the Middle Devonian to the Lower Carboniferous. During the Variscan orogeny in Late Mississippian-Middle Pennsylvanian (330-305 Ma) times, the collision between the continents Avalonia and Armorica-Gondwana led to the tectonic inversion of the Avalonian margin and the development of a north-verging thrust system whose front crosses northern France. The Devonian-Carboniferous platform was progressively buried under the syn-orogenic Nord-Pas-de-Calais molassic foreland basin developed along the Northern Variscan Front.In order to characterise the geometry of the deep reservoirs within the Devonian-Carboniferous substratum of the NPC coal basin, it is essential to analyse the 3D structure and dynamics of the coal basin and of the Northern Variscan Front at the regional scale. The 3D geometry of the Northern Variscan Front, the NPC coal basin and the geothermal reservoirs has been investigated based on (1) the interpretation of 532 km of seismic reflection profiles reprocessed in the frame of the thesis, and (2) the construction of a 3D numerical structural model integrating a large database (interpreted seismic profiles converted into depth, wells, reinterpreted mining data, outcrops, existing geological syntheses, gravimetric maps).Seismic interpretations point out the main structural features of the southern Avalonian margin and of the different units of the Northern Variscan Front in northern France. The 3D geometry of the thrust front (frontal and lateral ramps, transfer zone) is characterized and the influence of the Devonian and Caledonian structural inheritance on the dynamics of the thrust front is discussed. Numerical modelling allows for the reinterpretation of the 3D geometry of the different sedimentary units and discontinuities (faults, thrusts) of the Northern Variscan Front and of the eastern part of the NPC coal basin. Geothermal targets are imaged in 3D and their extension, depth, thickness and deformations are defined. Operational deliverables, such as isohypses and isopaque maps, were produced and analysed at the end of this study. The definition of the regional subsurface 3D geometry finally allowed to discuss the deformation history of the Variscan orogenic front and to propose a new kinematic evolution model in the Nord-Pas-de-Calais coal district area. This work demonstrates the interest of a dual approach combining advances in scientific knowledge (the dynamics of the Northern Variscan Front) and the development of applied knowledge (reservoir geometry)
HUSSON, Eglantine. "Interaction géodynamique/karstification et modélisation géologique 3D des massifs carbonatés : Implication sur la distribution prévisionnelle de la karstification. Exemple des paléokarts crétacés à néogènes du Languedoc montpelliérain". Phd thesis, Université Montpellier II - Sciences et Techniques du Languedoc, 2013. http://tel.archives-ouvertes.fr/tel-00936257.
Pełny tekst źródłaHusson, Eglantine. "Interaction géodynamique/karstification et modélisation géologique 3D des massifs carbonatés : implication sur la distribution prévisionnelle de la karstification. Exemple des paléokarsts crétacés à néogènes du Languedoc montpelliérain". Thesis, Montpellier 2, 2013. http://www.theses.fr/2013MON20212/document.
Pełny tekst źródłaThe present study addresses the question of increasing need in water supply. One line of research consists in investigating karst aquifers that represent significant water supplies for the areas around the Mediterranean. This work aims at developing a methodology of predictive evaluation of karst distribution and karst thickness within the carbonate massifs. It is based on the study of the Tethysian carbonate platform from the area of Montpellier, South of France. This area underwent a polyphased, complex, tectonic evolution, involving successive karst forming events. The approach is based on the relationships between eustacy and geodynamics, on one hand, and base-level variation recorded within palaeokarsts, on the other hand. Sedimentary fill of palaeokarsts allows to identify distinct karstification phases and sometimes to date them. It is a marker of base-level variations, which we attempt to quantify, that is responsible for karst formation and karst filling and sealing. For three palaeokarsts of regional extent, we analyze : karst sedimentary-fill, the distribution along upstream-downstream profile, the vertical extension of palaeokarsts, indicative of the base-level lowering.- The « Bauxite palaeokarst » results from the two-stage evolution of the « Isthme Durancien » : i) Bauxitic weathering of the Neocomian cover over the southern Massif Central , related to an inversion during Barremian ; ii) ≥1600 m uplift and exhumation during Aptian-Albian, inducing erosion of alterites, upstream, and deposition of detrital bauxites, downstream.- The « Early Paleocene palaeokarsts with marine sedimentary-fill » indicate base level variations of more than 350m in the upstream area. It is suggested here that such base-level variations, exceeding eustacy and recorded in tabular undeformed series, result from desiccation-flooding events in an endoreic silled basin.- The « Miocene palaeokarst with Cevennes-sourced sediment-fill » records a Serravalian-Tortonian base-level drop, depicted by canyon incision in the hinterland of the Gulf of Lion Margin. Uplift values of ≥ 400m upstream, about 250m in an intermediate area and 10's of m downstream, are measured. The present 3D geometry and distribution of carbonate massifs (exposed and covered) are modeled in the study area, from the Cevennes to the Mediterranean. The 3D geological model integrates seismic reflection, borehole and gravimetric data. Tectonic restoration of a N-S section, extracted from the 3D model, allows to reconstruct paleo-base-levels with respect with the carbonate massifs, at different stages of deformation and successive phases of karstification. The 3D paleo-flows through carbonates across the study area, are thus constrained, especially during the Messinian desiccation stage. Application of the results to hydrogeology leads to the following :- Uplift of upstream hinterland (Cretaceous, Miocene) produces large amplitude karsts, but they do not make significant reservoirs.- Karstification responsible for the development of important and deep karst reservoirs is related to desiccation of endoreic basins (early Paleocene and Messinian).- Theses two events have produced two main deep karst reservoirs, with a gravimetric signature : (1) Upstream of Montpellier Thrust, between Pic St Loup, Les Matelles Fault and Hérault Basin, a deep karsts developed over 900m thickness in the Malm limestone, during Paleocene. (2) Downstream (south) of Montpellier Thrust, the coastal karsts extend offshore over more than 10km, they are sealed by a thick Miocene to Quaternary cover, and they result from the Messinian event
Chaibi, Yasmina. "Adaptation des méthodes de reconstruction 3D rapides par stéréoradiographie : Modélisation du membre inférieur et calcul des indices cliniques en présence de déformation structurale". Paris, ENSAM, 2010. http://www.theses.fr/2010ENAM0013.
Pełny tekst źródłaThe Friction Stir Welding (FSW) is a solid state welding process, without melting. The weld is fabricated thanks to the action of tool made of a shoulder and a pin, positioned at the interface of the two pieces to be welded. The tool as two roles : heating of the material by friction of the shoulder, mixing of the material due to the pin. This thesis work is made within the partnership between Arts et Métiers ParisTech and Institut de Soudure. Its goal is to develop a FSW simulation model in order to decrease experimental trials required to optimize the process. Therefore, some points have been treated in this manuscript. Experimental analysis of thermal cycles and material movements in the case of unthreaded tools has been carried out. This situation allows (1) to make the comparison with numerical simulation easier and (2) to be in the case of worn tools. Formulations (lagrangian, eulerian, ALE) analysis in order to choose the more appropriate to take material flow into account has allowed to select an eulerian formulation (implemented in the FLUENT software) to estimate thermal and kinematical fields in the steady state. The set up of the numerical model in the FLUENT software is presented. We have studied the influence of numerical parameters on the results and proposed an identification strategy for some parameters which are not reachable experimentally. A detailed comparison between our experimental results and the ones from our simulations have been performed with success. The study of the influence of the process parameters (feed rate, rotating speed) and of the pin geometry on the kinematical and thermal fields has highlighted the link between velocity field and the presence of tunnel type defects
Najjar, Riham. "Etude structurale par RMN et modélisation moléculaire de peptides urotensinergiques, impliqués dans la régulation du système cardiovasculaire et la prolifération des cellules tumorales". Thesis, Normandie, 2018. http://www.theses.fr/2018NORMR038.
Pełny tekst źródłaThis work aims to characterize the structure of human urotensinergic peptides by CD, NMR and molecular modelling. hUII (11 aa) and its analogue URP (8 aa) are considered as the most potent vasoactive peptides known so far and are involved in various biological systems, including the cardiovascular system and tumor cell proliferation. These two peptides are endogenous ligands of a GPCR, UT, and exert common but also divergent physiological actions. In order to gain a better understanding of their biological activities, we determined the structures of three agonists (hUII4-11, URP, P5U) and one antagonist (urantide), in DPC micelles, a cellular eukaryotic mimetic membrane. For all peptides, we observed the presence of two major forms of the disulfide bridge, RHStaple and LHHook, which are known to be essential for biological activity. We showed a difference in the turn nature between agonists (type I β turn) and the antagonist (type II’ β turn). Our analyses also revealed that, in agonists and antagonist, the side chain orientations of residues F6, Y9 and more specifically W7 were different. Indeed, the indole group of D-W7 exhibited a 180° rotation. Secondly, we showed that, contrary to URP, the conformation of hUII was dependent on concentration. This selfassembly phenomenon may impact the interaction with the receptor and be responsible for the differential biological activities of hUII and URP
Perrouty, Stephane. "Évolution Structurale de la Ceinture Minéralisée d'Ashanti, SO Ghana". Phd thesis, Université Paul Sabatier - Toulouse III, 2012. http://tel.archives-ouvertes.fr/tel-00772832.
Pełny tekst źródłaAssali, Pierre. "Modélisation géostructurale 3D de parois rocheuses en milieu ferroviaire : application aux ouvrages en terre". Thesis, Strasbourg, 2014. http://www.theses.fr/2014STRAD009.
Pełny tekst źródłaThis project aims at an optimization of geostructural modeling methodolgies, leading to a better knowledge and a better management of the rock risk impacting the railway system. Acquired 3D models are exploited in order ton convert 3D point clouds into geostructural analysis. Hence, we have developed a semi-automatic process that allows 3D models to be combined with the results of field surveys in order to provide more precise analyses of rock faces, for example, by classifying rock discontinuities into subsets according to their orientation. A second approach is proposed, combining both 3D point clouds (from LiDAR or image matching) and 2D digital images. Combining these high-quality data with the proposed automatic and manual processing method greatly improves the geometrical analysis of rock faces, increases the reliability of structural interpretations, and enables reinforcement procedures to be optimized
Gianfrotta, Coline. "Modélisation, analyse et classification de motifs structuraux d'ARN à partir de leur contexte, par des méthodes d'algorithmique de graphes". Electronic Thesis or Diss., université Paris-Saclay, 2022. http://www.theses.fr/2022UPASG056.
Pełny tekst źródłaIn this thesis, we study the structural context of RNA structural motifs in order to make progress in their prediction. Indeed, some RNA motifs, which are substructures appearing recurrently in RNA structures, remain difficult to predict, because of the presence of non-canonical interactions in these motifs, and because of the distance on the primary sequence between the different parts of these motifs. We therefore model the topological structural context of these motifs by graphs, and compare the contexts of the different occurrences using several graph algorithms. We then classify the motif occurrences according to their topological context similarities and according to their 3D context similarities, using an overlapping clustering algorithm.First, we show on a dataset of three structural motifs that the observed similarities between the topological contexts are consistent with the similarities between the 3D contexts. This indicates that the topological context may be sufficient to determine the 3D context for these three motifs.In a second step, we study several classifications of occurrences of the A-minor motif, according to 3D context similarities. We observe that 3D context similarities exist between non-homologous occurrences, which could be a sign of an evolutionary convergence phenomenon. Moreover, we observe that some parts of the 3D context seem to be better conserved than others between non-homologous occurrences.In a third step, we study the predictive ability of the common topological context of A-minor motif occurrences, sharing similar 3D contexts, as well as the predictive ability of a sequence signal on these same occurrences. To this end, we study the occurrence of this topology and sequence in RNA structures in the absence of A-minor motifs. We conclude that the topology and the sequence represent a good signal for the majority of the studied classes
Trellet, Mikael. "Exploration et analyse immersives de données moléculaires guidées par la tâche et la modélisation sémantique des contenus". Thesis, Université Paris-Saclay (ComUE), 2015. http://www.theses.fr/2015SACLS262/document.
Pełny tekst źródłaIn structural biology, the theoretical study of molecular structures has four main activities organized in the following scenario: collection of experimental and theoretical data, visualization of 3D structures, molecular simulation, analysis and interpretation of results. This pipeline allows the expert to develop new hypotheses, to verify them experimentally and to produce new data as a starting point for a new scenario.The explosion in the amount of data to handle in this loop has two problems. Firstly, the resources and time dedicated to the tasks of transfer and conversion of data between each of these four activities increases significantly. Secondly, the complexity of molecular data generated by new experimental methodologies greatly increases the difficulty to properly collect, visualize and analyze the data.Immersive environments are often proposed to address the quantity and the increasing complexity of the modeled phenomena, especially during the viewing activity. Indeed, virtual reality offers a high quality stereoscopic perception, useful for a better understanding of inherently three-dimensional molecular data. It also displays a large amount of information thanks to the large display surfaces, but also to complete the immersive feeling with other sensorimotor channels (3D audio, haptic feedbacks,...).However, two major factors hindering the use of virtual reality in the field of structural biology. On one hand, although there are literature on navigation and environmental realistic virtual scenes, navigating abstract science is still very little studied. The understanding of complex 3D phenomena is however particularly conditioned by the subject’s ability to identify themselves in a complex 3D phenomenon. The first objective of this thesis work is then to propose 3D navigation paradigms adapted to the molecular structures of increasing complexity. On the other hand, the interactive context of immersive environments encourages direct interaction with the objects of interest. But the activities of: results collection, simulation and analysis, assume a working environment based on command-line inputs or through specific scripts associated to the tools. Usually, the use of virtual reality is therefore restricted to molecular structures exploration and visualization. The second thesis objective is then to bring all these activities, previously carried out in independent and interactive application contexts, within a homogeneous and unique interactive context. In addition to minimizing the time spent in data management between different work contexts, the aim is also to present, in a joint and simultaneous way, molecular structures and analyses, and allow their manipulation through direct interaction.Our contribution meets these objectives by building on an approach guided by both the content and the task. More precisely, navigation paradigms have been designed taking into account the molecular content, especially geometric properties, and tasks of the expert, to facilitate spatial referencing in molecular complexes and make the exploration of these structures more efficient. In addition, formalizing the nature of molecular data, their analysis and their visual representations, allows to interactively propose analyzes adapted to the nature of the data and create links between the molecular components and associated analyzes. These features go through the construction of a unified and powerful semantic representation making possible the integration of these activities in a unique interactive context
Oliva, Jean-Michel. "Reconstruction tridimensionnelle d'objets complexes a l'aide de diagrammes de Voronoi simplifiés : application a l'interpolation 3D de sections géologiques". Phd thesis, Ecole Nationale Supérieure des Mines de Saint-Etienne, 1995. http://tel.archives-ouvertes.fr/tel-00838782.
Pełny tekst źródłaMachado, da Silva Gleides Verônica. "Etude pétrologique, géochimique et structurale du massif granitique de Jussiape-Abaira (Bahia, Brésil). Modélisation du développement de l'orientation préférentielle 3D. Application à l'interprétation de la fabrique des roches granitiques". Limoges, 1993. http://www.theses.fr/1993LIMO0247.
Pełny tekst źródłaDhondge, Hrishikesh. "Structural characterization of RNA binding to RNA recognition motif (RRM) domains using data integration, 3D modeling and molecular dynamic simulation". Electronic Thesis or Diss., Université de Lorraine, 2023. http://www.theses.fr/2023LORR0103.
Pełny tekst źródłaThis thesis was carried out in the frame of a larger European project (ITN RNAct) in which computer science and biology approaches were combined to make progress towards the synthesis of new protein domains able to bind to specific RNA sequences. The specific goal of this thesis was to design and develop computational tools to better exploit existing knowledge on RNA Recognition Motif (RRM) domains using 3D modeling of RRM-RNA complexes. RRMs account for 50% of all RNA binding proteins and are present in about 2% of the protein-coding regions of the human genome. However, due to the large diversity of RRMs, there have been very few successful examples of new RRM design so far. A central achievement of this thesis is the construction of a relational database called `InteR3M' that integrates sequence, structural and functional information about RRM domains. InteR3M database (href{https://inter3mdb.loria.fr/}{https://inter3mdb.loria.fr/}) contains 400,892 RRM domain instances (derived from UniProt entries) and 1,456 experimentally solved 3D structure (derived from PDB entries) corresponding to only 303 distinct RRM instances. In addition, InteR3M stores 459,859 atom-atom interactions between RRM and nucleic acids, retrieved from 656 3D structures in which the RRM domain is complexed with RNA or DNA. During the data collection procedure, inconsistencies were detected in the classification of several RRM instances in the popular domain databases CATH and Pfam. This led me to propose an original approach (CroMaSt) to solve this issue, based on cross-mapping of structural instances of RRMs between these two domain databases and on the structural alignment of unmapped instances with an RRM structural prototype. The CroMaSt CWL workflow is available on the European Workflow hub at href{https://workflowhub.eu/workflows/390}{https://workflowhub.eu/workflows/390}. Sequence and structural information stored in InteR3M database was then used to align RRM domains and map all RRM-RNA interactions onto this alignment to identify the different binding modes of RNA to RRM domains. This led to the development, with RNAct partners at VUB (Vrije Universiteit Brussel), of the `RRMScorer' tool. This tool contributes to decipher the RRM-RNA code by computing binding probabilities between RNA nucleotides and RRM amino acids at certain positions of the alignment. Atomic contacts between RRMs and RNA were also used to identify anchoring patterns, i.e. prototypes of 3D atomic positions (relative to the protein backbone) of a nucleotide stacked on a conserved aromatic amino acid. These anchors can be used as constraints in anchored docking protocols. The `RRM-RNA dock' docking pipeline is presented here and integrates both anchoring patterns extracted from InteR3M and binding scores from RRMScorer. Finally, molecular dynamic (MD) simulation is another computational tool tested in this thesis to contribute to the 3D modeling of RRM-RNA complexes. Promising preliminary MD protocols are described as attempts to distinguish between strongly and weakly binding RRM-RNA complexes
Amaya, Ramirez Diego. "Data science approach for the exploration of HLA antigenicity based on 3D structures and molecular dynamics". Electronic Thesis or Diss., Université de Lorraine, 2024. http://www.theses.fr/2024LORR0071.
Pełny tekst źródłaThis thesis presents a data science approach to explore the antigenicity of Human Leukocyte Antigen (HLA) molecules based on their three-dimensional (3D) structures and molecular dynamics (MD) simulations. The primary objective is to better understand the determinants of graft rejection caused by donor-specific antibodies (DSAs) and to improve donor-recipient compatibility assessment, which currently does not consider the 3D structure of HLA antigens. The thesis produced and analyzed the 3D structures and MD simulations of 207 HLA antigens. Various data science methods were employed to transform raw 3D data into manageable static and dynamic descriptors, ultimately enabling the training of a highly performant HLA epitope predictor on nearly 7,000 3D surface patches. The thesis explores the structural properties of HLA antigens from various points of vies, examining characteristics such as solvent accessibility, physico-chemical properties, and side-chain flexibility of amino acids. The study of amino acid flexibility during MD simulations revealed that flexibility was lower for amino acids present in confirmed eplets compared to non-eplets, consistent with recent reports about epitopes. Additionally, the thesis introduces the use of Zernike polynomials to represent the 3D surface of molecules, facilitating tasks such as structure comparison and classification. The hypothesis that HLA antigenicity depends on the structural similarity between the recipient's and donor's HLA antigens was investigated using the Wasserstein distance to compare multidimensional point clouds (i.e. 3D surface patches) representing MD simulation trajectories. The use of Zernike polynomials for the identification of peptide conformers along MD trajectories was also explored. The results showed a promising ability to identify distinctive conformers based on shape. A key contribution of the thesis is the construction of an epitope predictor for HLA antigens called HLA-EpiCheck. Using static and dynamic structural features extracted from MD simulations, a dataset consisting of 18 descriptors calculated on nearly 7,000 3D surface patches derived from 207 HLA antigens was built. The predictor was trained using confirmed eplets from the HLA Eplet Registry database and then employed to predict the status of non-confirmed eplets. The prediction results showed remarkable consistency with experimental results produced at the Immunology-Histocompatibility laboratory of Saint Louis Hospital. Furthermore, feature importance analysis performed on HLA-EpiCheck revealed a noteworthy importance of the descriptors associated with side-chain flexibility, underlining the importance of introducing dynamic descriptors in ML tasks related to protein structure. Furthermore, the thesis involved the development of a database for 3D structures of HLA antigens and a graphical interface called HLA-3D-Diff. This interface allows users to superimpose 3D structures of HLA antigens, visualize their trajectories in MD simulations, and identify or confirm potential differences appearing dynamically during trajectories. It serves as a tool for manually exploring pairs of HLA antigens in complex or unexpected clinical immunization situations. The work presented in this thesis aims to include dynamic features in the study of structural differences and HLA epitope predictions for a better donor-recipient matching in graft allocation. Future work could involve retrospective clinical studies to evaluate the contribution of these new elements to graft maintenance or rejection
Abderamane, Hamit. "Étude du fonctionnement hydrogéochimique du système aquifère du Chari Baguirmi (République du Tchad)". Thesis, Poitiers, 2012. http://www.theses.fr/2012POIT2294/document.
Pełny tekst źródłaThe study of the Chari Baguirmi aquifer system aims to improve the knowledge about this system forsustainable groundwater resource management. In the study area, which covers 70,000 km2, measurementcampaigns and sampling of water and sediments were undertaken. The waters have been sampled for chemicaland isotopic analyzes (18O and 2H) to understand the hydrogeochemical behavior of the aquifer system.The synthesis of existing geological data and highlighting the litho-stratigraphic heterogeneity through thegranulometric study confirmed the hydrogeological complexity of the study area. Clay mineralogy showed thatthe deposition of different sediments occurred from the periphery to the center of the depression. This mode ofsedimentation can hypothesize the existence of a depression into which sediments are trained by the transportagent. This assumption of "structural depression" refutes the hypothesis of a hitherto accepted hydrogeologicalorigin (high evaporation) of the piezometric depression. The study based on the piezometry and chemical and isotopic data (18O and 2H) of water enabled to understand the hydrogeochemical processes that govern the mineralization of the water. In addition to isotopes (2H and 18O), the use of ratios Br/Cl, Sr/Ca and base exchanges index has highlighted on the one hand, the origin of the salinity of waters in the piezometric depression and secondly, the phenomena of base exchanges related to longresidence time of water in contact with rocks and areas of potential groundwater recharge. Numerical modeling of the aquifer was performed in steady state and the results confirm the prevalence of the phenomenon of evaporation in the western p
Pouderoux, Joachim. "Création semi-automatique de modèles numériques de terrains - Visualisation et interaction sur terminaux mobiles communicants". Phd thesis, Université Sciences et Technologies - Bordeaux I, 2007. http://tel.archives-ouvertes.fr/tel-00354701.
Pełny tekst źródłaDans un premier temps, nous nous intéressons à la création de ces modèles à partir d'une source importante de données topographiques constituée par les cartes topographiques. Nous présentons une chaîne complète de traitements permettant de générer un MNT à partir d'une carte topographique numérisée. Nous détaillons particulièrement de nouvelles méthodes de reconstruction des courbes de niveaux et d'interpolation de ces courbes pour générer un MNT. Les différents travaux effectués dans cette thématique s'intègrent au sein de la plate-forme logicielle AutoDEM que nous avons développée durant cette thèse.
Puis, dans une deuxième partie, nous présentons une nouvelle technique permettant de visualiser des MNT en 3D sur une large gamme de dispositifs allant de stations de travail reliées à de grands écrans jusqu'à des terminaux mobiles (TM) à faibles capacités tels que les PDA ou les téléphones portables. L'intérêt majeur de la technique présentée, qui repose sur un mode connecté client-serveur, réside dans l'adaptation dynamique du modèle 3D aux capacités d'affichage du terminal. Nous nous intéressons également à des techniques de rendu à distance et présentons deux techniques permettant d'offrir d'une part une visualisation interactive temps réel et d'autre part un panorama virtuel à l'utilisateur.
Enfin, dans un troisième temps, nous décrivons des techniques nouvelles permettant à un utilisateur mobile disposant d'un TM de naviguer et d'interagir avec des données géographiques (cartes ou plans 2D et scènes 3D). La première est une technique d'interaction tangible et bi-manuelle reposant sur la détection par analyse du flux vidéo d'une cible décrivant un code couleur. La deuxième est une technique de sélection à deux niveaux adaptée aux TM ne disposant pas de dispositif de pointage continu.
Lalancette, Sandra. "Dimensionnement des chantiers remblayés de la mine Niobec en utilisant la modélisation 3D". Thèse, 2018. http://constellation.uqac.ca/4492/1/Lalancette_uqac_0862N_10419.pdf.
Pełny tekst źródłaCaron, Olivier. "Synthèse et modèle cartographique 3D des formations quaternaires pour les bassins-versants des rivières Chaudière et Saint-François : géochronologie, stratigraphie et paléogéographie wisconsinienne du sud du Québec". Thèse, 2013. http://www.archipel.uqam.ca/5982/1/D2412.pdf.
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