Le CEA travaille sur des matériaux poreux – alvéolaires, composites, céramiques, etc. – et cherche à optimiser leurs propriétés pour des utilisations spécifiques. Ces matériaux, souvent composés de plusieurs constituants, ont en général une structure complexe avec une taille de pores de quelques dizaines de microns. Ils sont mis en oeuvre dans des systèmes de grande échelle, supérieure à leurs propres échelles caractéristiques, dans lesquels on les considère comme équivalents à des milieux homogènes, sans prendre en compte sa microstructure locale, pour simuler leur comportement dans leur environnement d’utilisation.Nous nous intéressons donc à la caractérisation des propriétés thermiques effectives de matériaux à microstructure hétérogène en cherchant à déterminer par méthode inverse en fonction de la température la diffusivité thermique qu’ils auraient s’ils étaient homogènes.L’identification de la diffusivité de matériaux poreux et/ou semi-transparents est rendue difficile par le couplage conducto-radiatif fort qui peut se développer rapidement dans ces milieux avec une augmentation de la température. Nous avons donc modélisé le transfert de chaleur couplé conducto-radiatif en fonction de la température au sein de matériaux poreux multiconstituants à partir de leur microstructure numérisée en voxels. Notre démarche consiste à nous appuyer sur la microstructure 3D obtenue par tomographie. Ces microstructures servent de support numérique à cette modélisation qui permet d’une part de simuler tout type d’expériences thermiques numériques – en particulier la méthode flash dont les résultats nous permettent de déduire la diffusivité thermique –, et d’autre part de reproduire le comportement thermique de ces échantillons dans leur condition d’utilisation. / The CEA works a great deal with porous materials – carbon composites, ceramics – and aims to optimize their properties for specific uses. These materials can be composed of several constituents and generally has a complex structure with pore size of several tens of micrometers. It is used in large-scale systems that are bigger than its own characteristic scale in which they are considered as equivalent to a homogeneous medium for the simulation of its behavior in its using environment without taking into account its local morphology. We are especially interested in the effective thermal diffusivity of heterogeneous materials that we estimate as a function of temperature with the help of an inverse method by considering they are homogeneous.The identification of the diffusivity of porous and/or semitransparent materials is made difficult because of the strong conducto-radiative coupling can quickly occur when the temperature increases. We have thus modeled the coupled conductive and radiative heat transfer as a function of the temperature within porous multiconstituent materials from their morphology discretized into a set of homogeneous voxels. We have developed a methodology that consists in starting from a 3D-microstructure of the studied materials obtained by tomography. The microstructures constitute the numerical support to this modeling that renders it possible, on the one hand, to simulate any kind of numerical thermal experiments, especially the flash method whose the results render it possible to estimate the thermal diffusivity, and on the other hand, to reproduce the thermal behavior of our materials in their using conditions.

Data analysis techniques can be useful in decision-making processes, when patterns of interest can indicate trends in specific domains. Such trends might support evaluation, definition of alternatives, or prediction of events. Currently, datasets have increased in size and complexity, posing challenges to modern hardware resources. In the case of large datasets that can be represented as graphs, issues of visualization and scalable processing are of current concern. Distributed frameworks are commonly used to deal with this data, but the deployment and the management of computational clusters can be complex, demanding technical and financial resources that can be prohibitive in several scenarios. Therefore, it is desirable to design efficient techniques for processing and visualization of large scale graphs that optimize hardware resources in a single computational node. In this course of action, we developed a visualization technique named StructMatrix to find interesting insights on real-life graphs. In addition, we proposed a graph processing framework M-Flash that used a novel, bimodal block processing strategy (BBP) to boost computation speed by minimizing I/O cost. Our results show that our visualization technique allows an efficient and interactive exploration of big graphs and our framework MFlash significantly outperformed all state-of-the-art approaches based on secondary memory. Our contributions have been validated in peer-review events demonstrating the potential of our finding in fostering the analytical possibilities related to large-graph data domains. / Técnicas de análise de dados podem ser úteis em processos de tomada de decisão, quando padrões de interesse indicam tendências em domínios específicos. Tais tendências podem auxiliar a avaliação, a definição de alternativas ou a predição de eventos. Atualmente, os conjuntos de dados têm aumentado em tamanho e complexidade, impondo desafios para recursos modernos de hardware. No caso de grandes conjuntos de dados que podem ser representados como grafos, aspectos de visualização e processamento escalável têm despertado interesse. Arcabouços distribuídos são comumente usados para lidar com esses dados, mas a implantação e o gerenciamento de clusters computacionais podem ser complexos, exigindo recursos técnicos e financeiros que podem ser proibitivos em vários cenários. Portanto é desejável conceber técnicas eficazes para o processamento e visualização de grafos em larga escala que otimizam recursos de hardware em um único nó computacional. Desse modo, este trabalho apresenta uma técnica de visualização chamada StructMatrix para identificar relacionamentos estruturais em grafos reais. Adicionalmente, foi proposta uma estratégia de processamento bimodal em blocos, denominada Bimodal Block Processing (BBP), que minimiza o custo de I/O para melhorar o desempenho do processamento. Essa estratégia foi incorporada a um arcabouço de processamento de grafos denominado M-Flash e desenvolvido durante a realização deste trabalho.Foram conduzidos experimentos a fim de avaliar as técnicas propostas. Os resultados mostraram que a técnica de visualização StructMatrix permitiu uma exploração eficiente e interativa de grandes grafos. Além disso, a avaliação do arcabouço M-Flash apresentou ganhos significativos sobre todas as abordagens baseadas em memória secundária do estado da arte. Ambas as contribuições foram validadas em eventos de revisão por pares, demonstrando o potencial analítico deste trabalho em domínios associados a grafos em larga escala.

Les travaux présentés s'intéressent à la réalisation de piles SOFC de 3éme génération. La problématique essentielle de cette configuration concerne le processus de mise en forme de la cellule devant permettre l'obtention d'un électrolyte dense (haute température) associé à un métal poreux (basse température). Afin de répondre à cette problématique, nous proposons une approche innovante consistant à élaborer et mettre en forme, à haute température, un empilement de précurseurs oxydes réduits dans une deuxième étape à température modérée pour générer les parties métalliques. La voie sol-gel dérivée du procédé Pechini réputée pour permettre l'obtention à moindre coût d'échantillons homogènes de composition complexe et à microstructure contrôlée a permis d'obtenir les précurseurs oxydes des constituants de la cellule. Leur mise en forme a été réalisée par frittage flash, technique sélectionnée pour la rapidité de traitement permettant de contrôler la densification, préserver la microstructure et limiter les réactions interfaciales lors de l'assemblage de matériaux différents. Les paramètres de densification puis les conditions de réduction ont été optimisés pour chaque précurseur avant d'être transférés pour la réalisation d'une demi-cellule. Le départ de l'oxygène se traduit par une augmentation de la porosité sans coalescence des parties métallique ni décollement au niveau des interfaces entre constituants. Ainsi, les résultats présentés valident l'approche proposée montrant le bénéfice attendu de l'utilisation de précurseurs oxydes permettant la dissociation de l'étape mise en forme et densification de l'électrolyte de celle de l'obtention du métal poreux. Après réalisation des tests électrochimiques sur la demi-cellule, la réalisation d'une cellule complète pourra être proposée avant d'envisager un transfert d'échelle, rendu possible par l'utilisation de procédés facilement industrialisables. / The works presented concern in the realization of a third generation of SOFC cell. The main problem is the shaping process of the cell which must allows obtaining a dense (high temperature) electrolyte associated with a porous metal (low temperature). In order to solve this issue, we propose an innovative approach consisting in developing and shaping, at high temperature, a stack of oxide precursors which will be reduced in a second step at moderate temperature to generate the metal parts. The sol-gel route derived from the Pechini process, known to allow obtaining at low cost homogeneous samples of complex composition and controlled microstructure, was used to obtain the oxide precursors of the constituents of the cell. Their shaping was carried out by flash sintering, a technique selected for the speed of treatment allowing to control the densification, to preserve the microstructure and to limit the interfacial reactions during the assembly of different materials. The densification parameters and then the reduction conditions were optimized for each precursor before being transferred for the production of a half-cell. The departure of the oxygen results in an increase in the porosity without coalescence of the metal parts or detachment at the interfaces between constituents. Thus, the results presented validate the proposed approach showing the expected benefit of the use of oxide precursors allowing the dissociation of the shaping and densification step of the electrolyte from that of the obtaining of the porous metal. After carrying out the electrochemical tests on the half-cell, the full cell will be produced the upscaling, facilitated by the use of adequate chemical processes will be considered.

Cette thèse porte sur la simulation des jets de gouttes générés par des pulvérisateurs essence haute pression, pulvérisateurs qui sont un point clef des systèmes de combustion automobile de la présente et future génération devant diminuer les émissions de CO2 et de polluants. Dans un premier temps les jets de gouttes (« sprays ») sont simulés par simulation moyennée. Les résultats de simulation d’un jet donnant des résultats en moyenne satisfaisant, l'interaction de jets en injecteurs multi-trous est alors simulée. Les résultats sont cohérents par rapport aux mesures d'entraînement d’air. La simulation permettant d'avoir accès au champ complet 3D, le mécanisme d'interaction jet à jet et de développement instationnaire du spray est décrit en détail. La formation d’un mouvement descendant au centre du spray et celle d'un point d'arrêt central sont trouvés. Finalement, Ces résultats sont étendus au cas surchauffé, cas où la pression dans la chambre est inférieure à la pression de vapeur saturante. Un modèle simple semi-empirique est proposé pour tenir compte de la modification des conditions proches de la buse d’injection. Le modèle prédit correctement les tendances des variations de paramètres et capture la forme générale du spray qui se referme sur lui-même. La seconde grande partie est consacrée au développement d’un modèle de spray par l’approche des grandes échelles (SGE), limité ici aux cas non évaporant. Il comprend la modélisation de sous-maille de la dispersion turbulente, des collisions-coalescence et des termes d’échange de quantité de mouvement de sous-maille. L'effet du choix du modèle de sous-maille pour la viscosité turbulente de sous-maille est montré, le choix retenu étant le modèle de Smagorinski dynamique. Afin d'améliorer la représentativité cruciale des conditions d’injections, un couplage faible est réalisé à partir de résultats de simulations existantes de l'écoulement interne aux buses. Les fonctions densité de probabilité simple et jointes extraits des résultats de simulations sont validés par rapport aux mesures PDA en situation pseudo-stationnaire et la pénétration liquide et la forme du spray est comparée aux visualisations par ombroscopie. Enfin, différentes zones caractéristiques sont identifiées et des longueurs sont notées pour les cas d'injection à 100 et 200bar. / Over the years numerical modelling and simulation techniques have constantly been improved with the increase in their use. While keeping the computational resources in mind, numerical simulations are usually adapted to the required degree of accuracy and quality of results. The conventional Reynolds Average Navier Stokes (RANS) is a robust, cheap but less accurate approach. Large Eddy Simulation (LES) provides very detailed and accurate results to the some of the most complex turbulence cases but at higher computational cost. On the other hand, Direct Numerical Simulation (DNS) is although the most accurate of the three approaches but at the same time it is computationally very expensive which makes it very difficult to be applied to the most of the complex industrial problems. The current work is aimed to develop a deeper understanding of multi-hole Gasoline Direct Injection (GDI) sprays which pose many complexities such as; air entrainment in the multi-hole spray cone, Jet-to-Jet interactions, and changes in the spray dynamics due to the internal flow of the injector. RANS approach is used to study multi-hole injector under cold, hot and superheated conditions. Whereas, LES is utilized to investigate the changes in the dynamics of the single spray plume due to the internal flow of the GDI injector. To reduce computational cost of the simulations, dynamic mesh refinement has been incorporated for both LES and RANS simulation. A thorough investigation of air entrainment in three and six hole GDI injectors has been carried out using RANS approach under non superheated and superheated conditions. The inter plume interactions caused by the air entrainment effects have been analysed and compared to the experimental results. Moreover, the tendencies of semi collapse and full collapse of multi-hole sprays under non superheated and superheated conditions have been investigated in detail as well. A methodology of LES has been established using different injection strategies along with various subgrid scale models for a single spray plume. In GDI multi-hole sprays, the internal flow of the injector plays a very crucial role in the outcome the spray plume. A separate already available internal flow LES simulation of the injector has been coupled with the external spray simulation in order to include the effect of nozzle geometry and the cavitation phenomenon which completely change the dynamics of the spray.

La cristallisation en continu de nanoparticules énergétiques est un défi de longue date. Le Spray Flash Evaporation (SFE) est une technique majeure développée et brevetée en interne, pour la production en continu de matériaux énergétiques submicroniques ou nanométriques ; la technologie se base sur la surchauffe d’un solvant pulvérisé dans le vide et s’évaporant de manière flash. Ce présent travail de recherche a pour but de comprendre et contrôler la cristallisation au sein du procédé SFE. Le RDX et le cocristal CL-20:HMX 2:1 sont étudiés. La sursaturation, concernant le SFE, est une fonction du temps et de l’espace liée aux tailles et vitesses de gouttes : elle fut variée par un anti-solvant et par l’amélioration du SFE avec un système double buse. Ensuite, PVP 40K et PEG 400 ont été utilisés afin de contrôler la nucléation et la croissance. Les particules ont pu être ajustées d’une taille de 160 nm à 5 µm, avec des morphologies facettées ou sphériques et avec des sensibilités moindres. / The continuous formation of nanosized energetic material is a long-standing challenge. Spray Flash Evaporation (SFE) is a major technique, internally developed and patented, for continuously producing energetic materials at submicron or nano scale; it relies on the superheating of a solvent sprayed into vacuum and thus flashing. This present research project aims to understand and control the crystallisation occurring in the SFE process. RDX and the cocrystal CL-20:HMX 2:1 was studied overcome the limited in situ characterizations also. The supersaturation is a function of time and space in SFE, linked to the size distribution and velocity of droplets. Supersaturation was raised with an anti-solvent and by the enhancement of the SFE with a dual nozzle system. Then PVP 40K and PEG 400 were successfully used to alter the nucleation and the growth. The particles were subsequently tuned from 160 nm spheres to 5 µm grains and were less sensitive, especially toward electrostatic discharge.

Coherent diffractive imaging (CDI) has become a very popular technique over the past two decades. CDI is a "lensless" imaging method which replaces the objective lens of a conventional microscope by a computational image reconstruction procedure. Its increase in popularity came together with the development of X-ray free-electron lasers (XFELs) which produce extremely bright and coherent X-rays. By facilitating these unique properties, CDI enables structure determination of non-crystalline samples at nanometre resolution and has many applications in structural biology, material science and X-ray optics among others. This work focuses on two specific CDI techniques, flash X-ray diffractive imaging (FXI) on biological samples and X-ray ptychography. While the first FXI demonstrations using soft X-rays have been quite promising, they also revealed remaining technical challenges. FXI becomes even more demanding when approaching shorter wavelengths to allow subnanometre resolution imaging. We described one of the first FXI experiments using hard X-rays and characterized the most critical components of such an experiment, namely the properties of X-ray focus, sample delivery and detectors. Based on our findings, we discussed experimental and computational strategies for FXI to overcome its current difficulties and reach its full potential. We deposited the data in the Coherent X-ray Database (CXIDB) and made our data analysis code available in a public repository. We developed algorithms targeted towards the needs of FXI experiments and implemented a software package which enables the analysis of diffraction data in real time. X-ray ptychography has developed into a very useful tool for quantitative imaging of complex materials and has found applications in many areas. However, it involves a computational reconstruction step which can be slow. Therefore, we developed a fast GPU-based ptychographic solver and combined it with a framework for real-time data processing which already starts the ptychographic reconstruction process while data is still being collected. This provides immediate feedback to the user and allows high-throughput ptychographic imaging. Finally, we have used ptychographic imaging as a method to study the wavefront of a focused XFEL beam under typical FXI conditions.  We are convinced that this work on developing strategies and algorithms for FXI and ptychography is a valuable contribution to the development of coherent diffractive imaging.

Data analysis techniques can be useful in decision-making processes, when patterns of interest can indicate trends in specific domains. Such trends might support evaluation, definition of alternatives, or prediction of events. Currently, datasets have increased in size and complexity, posing challenges to modern hardware resources. In the case of large datasets that can be represented as graphs, issues of visualization and scalable processing are of current concern. Distributed frameworks are commonly used to deal with this data, but the deployment and the management of computational clusters can be complex, demanding technical and financial resources that can be prohibitive in several scenarios. Therefore, it is desirable to design efficient techniques for processing and visualization of large scale graphs that optimize hardware resources in a single computational node. In this course of action, we developed a visualization technique named StructMatrix to find interesting insights on real-life graphs. In addition, we proposed a graph processing framework M-Flash that used a novel, bimodal block processing strategy (BBP) to boost computation speed by minimizing I/O cost. Our results show that our visualization technique allows an efficient and interactive exploration of big graphs and our framework MFlash significantly outperformed all state-of-the-art approaches based on secondary memory. Our contributions have been validated in peer-review events demonstrating the potential of our finding in fostering the analytical possibilities related to large-graph data domains. / Técnicas de análise de dados podem ser úteis em processos de tomada de decisão, quando padrões de interesse indicam tendências em domínios específicos. Tais tendências podem auxiliar a avaliação, a definição de alternativas ou a predição de eventos. Atualmente, os conjuntos de dados têm aumentado em tamanho e complexidade, impondo desafios para recursos modernos de hardware. No caso de grandes conjuntos de dados que podem ser representados como grafos, aspectos de visualização e processamento escalável têm despertado interesse. Arcabouços distribuídos são comumente usados para lidar com esses dados, mas a implantação e o gerenciamento de clusters computacionais podem ser complexos, exigindo recursos técnicos e financeiros que podem ser proibitivos em vários cenários. Portanto é desejável conceber técnicas eficazes para o processamento e visualização de grafos em larga escala que otimizam recursos de hardware em um único nó computacional. Desse modo, este trabalho apresenta uma técnica de visualização chamada StructMatrix para identificar relacionamentos estruturais em grafos reais. Adicionalmente, foi proposta uma estratégia de processamento bimodal em blocos, denominada Bimodal Block Processing (BBP), que minimiza o custo de I/O para melhorar o desempenho do processamento. Essa estratégia foi incorporada a um arcabouço de processamento de grafos denominado M-Flash e desenvolvido durante a realização deste trabalho.Foram conduzidos experimentos a fim de avaliar as técnicas propostas. Os resultados mostraram que a técnica de visualização StructMatrix permitiu uma exploração eficiente e interativa de grandes grafos. Além disso, a avaliação do arcabouço M-Flash apresentou ganhos significativos sobre todas as abordagens baseadas em memória secundária do estado da arte. Ambas as contribuições foram validadas em eventos de revisão por pares, demonstrando o potencial analítico deste trabalho em domínios associados a grafos em larga escala.

To end the use of a digital technology one must go througha process that research entitle information systems (IS)discontinuance. Prior research has developed phases andactivities that can be implemented in the IS discontinuanceprocess, but this knowledge is limited and has not beencompiled. This study purpose is therefore to create a modelof the IS discontinuance process and in it identify furtheractivities. To accomplish this, a real IS discontinuance hasbeen studied, who has had different circumstances andstakeholders than of previous studies. The discontinuanceprocess has occurred at a large organisation whomanufacture vehicles and the study has been conducted incollaboration with this organisation. The studied IS inquestion is an eLearning authoring tool. Information aboutthis discontinuance process has been collected throughsemi-structured personal interviews with five participantswho are employees at the organisation. The collected datahas been analysed and interpreted in comparison to atheoretical model of the IS discontinuance process, whichcontains phases and activities. The result of the analysis andinterpretation is an iterative model of the IS discontinuanceprocess with phases and activities, of which 34 are newfound activities. A big part of these activities can be relatedto the new circumstance and stakeholders within thestudied discontinuance process / Att sluta använda digitala teknologier sker genom en processsom forskningen benämner sominformationssystemsavveckling (IS-avveckling). Tidigareforskning har tagit fram faser och aktiviteter som kangenomföras i IS-avvecklingsprocessen, men denna kunskapär begränsad och har inte sammanställts. Denna studie syftarsåledes att skapa en modell av IS-avvecklingsprocessen och iden identifiera ytterligare aktiviteter. För att realisera dettahar en verklig IS-avvecklingsprocess studerats som haft ettannat förhållande och intressenter än i tidigare studier.Avvecklingen har skett hos en stor organisation somtillverkar fordon och studien har genomförts tillsammansmed dem. Avvecklingen harutförts på organisationens eLearning författarverktyg.Information om avvecklingen har samlats in genomsemistrukturerade personliga intervjuer med fem styckenrespondenter som är anställda hos organisationen. Deninsamlade datan har analyserats och tolkats i jämförelse meden framtagen teoretisk modell för IS-avvecklingsprocessensom innehåller faser och aktiviteter. Resultatet av analysenoch tolkningen blev en iterativ modellen för ISavvecklingsprocessen med faser och aktiviteter, varav 35stycken nya aktiviteter hittats. Stor del av dessa nyaaktiviteter kan kopplas till det nya förhållandet ochintressenterna i avvecklingen.

La mise au point de techniques de fractionnement des moûts de Sauvignon blanc par chromatographie de partage centrifuge et par chromatographie Flash, a permis de mettre en évidence la présence de deux « nouvelles » formes précurseurs du 3SH (le S-3-(hexan-1-al)-glutathion et l'acide S-3-glutathionyl-hydroxyhexanesulfonique). L’ensemble de ces résultats a permis de confirmer la contribution majeure des S-conjugués au potentiel en 3SH des moûts. Le S-3-(hexan-1-ol)-L-cystéine, le S-3-(hexan-1-ol)-glutathion ainsi que les deux nouvelles formes identifiées, permettent d’expliquer près de 65% du 3SH libéré dans les vins. Par ailleurs, nous avons montré que l’ensemble des formes précurseurs appartenait à la même voie d’assimilation de la levure et que le S-3-(hexan-1-ol)-L-cystéine est un intermédiaire indispensable à la biotransformation des S-conjugués au glutathion, précurseurs du 3-sulfanylhexanol. De plus, le pourcentage de biotransformation des différents S-conjugués en 3SH semble directement lié à leur position dans le flux métabolique. / The development of fractionation techniques in Sauvignon Blanc musts such as centrifugal partition chromatography and flash chromatography, permitted to identify two precursor forms of 3-sulfanylhexanol : the S-3-(hexan-1-al)-glutathione, and the S-3-glutathionyl-hydroxy hexanesulfonic acid. These results confirmed the major contribution of S-conjugates in the potential liberation of 3-sulfanylhexanol in musts. The two newly identified forms along with S-3-(hexan-1-ol)-L-cysteine and S-3-(hexan-1-ol)-glutathione, explain up to 65% of the total release of 3-sulfanylhexanol. Futhermore, we showed that all precursor forms belonged to the same assimilation pathway of yeast and the S-3-(hexan-1-ol)-L-cysteine is an essential intermediate in the metabolism of S-glutathione conjugates, which is a precursor of 3-sulfanylhexanol . Finally, the biotransformation percentage of different S-conjugates of 3-sulfanylhexanol seems directly related to their position in the metabolic flow.

No description available.