Submitted by Renata Lopes (renatasil82@gmail.com) on 2017-03-03T14:15:37Z No. of bitstreams: 1 barbarademeloquintela.pdf: 17938706 bytes, checksum: 9ab0cb4d4226bdefe7051c92e73feec9 (MD5) / Approved for entry into archive by Adriana Oliveira (adriana.oliveira@ufjf.edu.br) on 2017-03-06T20:15:36Z (GMT) No. of bitstreams: 1 barbarademeloquintela.pdf: 17938706 bytes, checksum: 9ab0cb4d4226bdefe7051c92e73feec9 (MD5) / Made available in DSpace on 2017-03-06T20:15:36Z (GMT). No. of bitstreams: 1 barbarademeloquintela.pdf: 17938706 bytes, checksum: 9ab0cb4d4226bdefe7051c92e73feec9 (MD5) Previous issue date: 2011-01-31 / CAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / CNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológico / FAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Gerais / A Homogeneização por Expansão Assintótica (HEA) é uma técnica multiescala empregada ao cálculo de propriedades efetivas de meios contínuos com estrutura periódica. As principais vantagens desta técnica são a redução do tamanho do problema a resolver e a possibilidade de se empregar uma propriedade homogeneizada que guarda informações da microestrutura heterogênea. Quando associada ao Método dos Elementos Finitos (MEF), a HEA demanda o emprego de malhas que permitam a imposição de condições de contorno periódicas – sendo portanto necessário especificar tal particularidade quando da geração dos modelos em MEF. Tais modelos representam as células periódicas, que são volumes representativos do meio heterogêneo e, em alguns casos, apresentam uma complexidade geométrica e física que torna imprescindível o emprego de malhas com alto grau de refinamento – levando a um custo computacional significativo. Este trabalho tem por objetivo a obtenção de um programa em Elementos Finitos para a aplicação da HEA à Elasticidade em 3D, empregando técnicas de programação paralela. Foram desenvolvidas versões do programa em 2D: uma sequencial em C e duas paralelas empregando OpenMP e CUDA. Foi implementado com sucesso o programa HEA3D em uma versão sequencial, em linguagem FORTRAN e uma paralela, empregando OpenMP. Para validação dos programas, foram analisadas células periódicas bifásicas e os resultados apresentaram boa concordância com valores experimentais e numéricos disponíveis na literatura. A versão paralela obteve expressivos ganhos de desempenho, com acelerações de desempenho de até 5.3 vezes em relação a versão sequencial. / The Asymptotic Expansion Homogenization (AEH) is a multiscale technique applied to estimate the effective properties of heterogeneous media with periodical structure. The main advantages of this technique are the reduction of the problem size to be solved and the ability to employ an homogenized property that keeps information from the heterogeneous microstructure. In association with the Finite Element Method (FEM), the AEH requires the application of periodic boundary conditions, which must be taken into account during the generation of FE meshes. Such models represent periodic cells, which are representative volumes for heterogeneous media and, in some cases, present a geometric and physics complexity that demands refined meshes, leading to a significant computational cost. The aim of this work is to develop a parallel program that applies both FEM and AEH to estimate the elasticity properties of 3D bodies. A sequential version of the 2D program using C, and parallel versions using OpenMP and CUDA were implemented. A sequential version of the program, called HEA3D, was successfully implemented using FORTRAN. Also, a parallel version of the code was implemented using OpenMP. The validation of the codes consisted of comparisons of the numerical results obtained, with numerical and experimental data available in the literature, showing good agreement. Significant speedups were obtained by the parallel version of the code, achieving speedups up to 5.3 times over its sequential version.

Orientador: Hugo Enrique Hernandez Figueroa / Tese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Elétrica e de Computação / Made available in DSpace on 2018-08-22T14:24:45Z (GMT). No. of bitstreams: 1 Oliveira_LucianoPradode_D.pdf: 36412783 bytes, checksum: 0d0ea68334e1df0ae3e61e59014f3f68 (MD5) Previous issue date: 2013 / Resumo: Este trabalho apresenta um estudo dos efeitos dos modos espúrios na análise modal e em esquemas de propagação de feixes na modelagem de guias de onda por elementos finitos mistos. A presença dos modos espúrios no espectro das matrizes de elementos finitos é investigada e discutida a partir de uma formulação alternativa para a análise modal em guias de onda bidimensionais, onde a condição de divergente nulo é imposta inicialmente na equação vetorial de onda. Um novo esquema de propagação de feixes é proposto substituindo a componente longitudinal da equação vetorial de onda pela equação de Gauss e uma análise do efeito dos modos espúrios sobre os esquemas de propagação de feixes é realizada. Testes computacionais de convergência e estabilidade dos novos esquemas de propagação de feixes, assim como dos esquemas convencionais, são apresentados / Abstract: This work shows a study of the effects of spurious modes in the modal analysis and in beam propagation schemes based on finite element mixed for modeling bidimensional waveguides structures. The presence of spurious modes in the spectrum of the finite element matrices is investigated and discussed from an alternative formulation for modal analysis of two-dimensional waveguides, where the divergence-free condition is imposed on the vector wave equation. A new beam propagation scheme is proposed by replacing the longitudinal component of the vectorial wave equation with Gauss equation, and analysis of the effect of spurious modes on beam propagations schemes is performed. Computational convergence and stability tests for the new beam propagations schemes as well as the conventional schemes are presented / Doutorado / Telecomunicações e Telemática / Doutor em Engenharia Elétrica

Orientador: Marcelo Cristianini / Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia de Alimentos / Made available in DSpace on 2018-08-03T21:15:51Z (GMT). No. of bitstreams: 1 Pinho_ClaudiaReginaGoncalves_M.pdf: 501738 bytes, checksum: 4538e004b367eac7c4ade13765125d3e (MD5) Previous issue date: 2003 / Resumo: Neste trabalho foi elaborado um modelo matemático do processo de transferência de calor durante a esterilização de um alimento condutivo infantil embalado em recipiente de vidro. O modelo tridimensional construído utilizando-se a técnica de elementos finitos para a resolução das equações diferenciais de transferência de calor considerou as propriedades térmicas do alimento, do vidro, do head space e da tampa metálica separadamente e a temperatura inicial da amostra e o perfil real de temperatura da autoclave utilizada para o processo de esterilização foram as condições de contorno aplicadas. As propriedades térmicas do alimento, condutividade térmica, calor específico, densidade e difusividade térmica, foram determinadas experimentalmente. Os valores obtidos foram: 0,59 W/mºC, 3776 J/kgºC, 1024 kg/m3 e 1,54 x 10-7 m2/s, respectivamente. O valor do coeficiente convectivo de transferência de calor (h) foi calculado a partir de perfis tempo x Temperatura obtidos experimentalmente. O processamento térmico foi dividido em quatro partes: come up, aquecimento, início de resfriamento (10 primeiros minutos de resfriamento) e final de resfriamento, sendo calculado um valor de h para cada trecho. Uma vez calculados os valores de h, o modelo de distribuição de temperatura no interior da embalagem foi validado experimentalmente através da realização de ensaios a 121°C. Ao se realizar uma regressão linear entre os valores de temperatura fornecidos pelo modelo e aqueles obtidos experimentalmente os parâmetros estatísticos obtidos foram R2 = 0,9925 e Inclinação = 1,0053, indicando que o mesmo foi capaz de prever de maneira satisfatória a distribuição de temperaturas no interior da amostra durante o processamento. Foram determinados os parâmetros Dez do Bacillus stearothermophilus em alimento infantil. Os resultados obtidos para o parâmetro D a 110, 115 e 121°C foram 32,67,9,31 e 1,57 minutos, respectivamente. O valor de z encontrado foi de 8,32°C. A partir da distribuição de temperaturas no interior da embalagem fornecida pelo modelo, foi estimada a destruição térmica de microrganismos e de nutrientes do processo. O cálculo da destruição térmica de microrganismos foi feito através da determinação da Esterilização Média da Massa. Foram realizados ensaios de validação do modelo de destruição microbiológica submetendo-se amostras inoculadas com Bacillus stearothermophilus a processamentos subletais a 110 e 115°C. O número de reduções decimais obtido em cada um dos processos foi confrontado com a destruição prevista pelo modelo, sendo que o modelo considerou os valores de O e z determinados experimentalmente. Nos processos a 115°C o desvio entre valores previstos e valores obtidos experimentalmente foi sempre inferior a 27% e naqueles realizados a 110°C este desvio foi sempre inferior a 12%. Foram realizadas ainda simulações de processos a 115 e 121°C variando-se a taxa de aquecimento da autoclave de 5 a 20°C/min e também de processos onde parte do valor de Fp foi obtida a 115 e parte a 121°C. Nestes processos o critério de parada foi o valor de Fp equivalente a uma redução de 6 ciclos do Bacillus stearothermophilus ter sido atingido. Verificou-se que quanto maior a porcentagem de Fp obtida a 121°C maior é a retenção de tiamina. Nas simulações de processos realizadas a 121°C a retenção média de tiamina foi de 48,71 % e naquelas realizadas a 115°C esta retenção foi de 55,90%. Não foram observadas diferenças significativas na retenção de tiamina entre processos realizados a uma mesma temperatura porém com diferentes taxas de aquecimento da autoclave / Abstract: The aim of this work was to build a mathematical model of the heat transfer during the sterilization process of a conductive baby food packed in glass container. The 3-dimensional model was built using the finite element technique. The model considered the thermal properties of food, glass, headspace and metal cap individually. The sample initial temperature and the retort real temperature profile were the boundary conditions applied. Thermal properties of food, thermal conductivity, specific heat, density and thermal diffusivity, were experimentally determined. The obtained values were: 0.59 W/mºC, 3776 J/kgºC, 1024 kg/m3 e 1.54 x 10-7 m2/s, respectively. The value of the heat transfer coefficient (h) was calculated from time-Temperature profiles obtained experimentally. The thermal process was divided into 4 parts: come up, heating, early cooling (10 first minutes) and final cooling and different values of h were calculated for each part. The heat transfer model of the sterilization process was experimentally validated through processes carried out in water at 121°C. The linear regression between temperature profiles generated by the model and the ones experimentally obtained showed that they were in good agreement (R2=0.9925 and slope=1.0053), showing that the model was able to predict satisfactorily temperature distribution into the sample during sterilization process. Thermal death parameters, O and z, of Bacillus stearpthermophilus in baby food were determined. The results obtained for O value were 32.67,9.31 and 1.57 minutes at 110, 115 and 121°C, respectively. The z value obtained was 8.32°C. The mass average value was estimated and experimental processes were carried out at 110 and 115°C in order to validate the microbiological destruction mode!. At these processes, inoculated samples of baby food were submitted to sub lethal processes and the experimental microbiological destruction was determined and compared with the values estimated by the mode!. The results showed that for processes at 110°C the differences between experimental and predicted results were less than 12% and for those processes at 115°C this differences were less than 27%. Finally, two types of simulations set to achieve a Fp value of 9.42 minutes were done. The first group considering different retort heating rates (5 to 20°C/min) at 115 and 121°C and the latter obtaining part of Fp value at 115°C and part at 121°C. The thiamine retention of each process was estimated and the results showed that the higher Fp percentage is obtained at 121°C, the better the process is. No significant differences were observed in thiamine retention in equivalent process considering different retort heating rates at the same temperature / Mestrado / Mestre em Tecnologia de Alimentos

Ce projet de thèse s'inscrit dans le cadre du développement de la future génération de réacteurs nucléaires, la génération IV. L'acier Grade 92, appartenant à la famille des aciers à 9-12% de chrome, est un candidat potentiel pour des composants de cette future génération de centrales. Ces structures sont assemblées par soudage.L'objectif de ce projet est de caractériser expérimentalement et de modéliser le comportement en fluage à 550°C de ces joints soudés en acier Grade 92 (9Cr-0,5Mo-1,8W-V-Nb).L'une des grandes problématiques des soudures en acier à 9 % de chrome est leur sensibilité à la rupture de type IV (rupture en zone intercritique (ICHAZ) ou dans la zone à petits grains (FGHAZ)) qui se produit généralement lors de sollicitations en fluage à basses contraintes et à hautes températures.Deux produits d'apports sont utilisés pour l'étude. Les soudures sont issues de l'assemblage par procédés TIG de deux tubes en position bout à bout. Une campagne d'essais de fluage à 550 °C sur éprouvettes travers joint en acier Grade 92 a été menée. Les expertises réalisées sur les éprouvettes de fluage indiquent que la rupture se produit en ICHAZ y compris pour les essais de fluage les plus courts (moins de 1000h).La modélisation du comportement en fluage du joint soudé complet a nécessité au préalable d'obtenir un modèle de comportement de chaque zone, en particulier de l'ICHAZ et de la zone fondue.Des essais de fluage sur des éprouvettes entaillées prélevées dans le joint ont permis d'accéder au comportement en fluage de ces deux zones. Une méthode complémentaire a été utilisée afin d'obtenir le comportement en fluage de l'ICHAZ. Cette méthode consiste à réaliser des essais de fluage sur des éprouvettes en microstructure de synthèse de la zone intercritique.Une caractérisation microstructurale fine de différentes zones de la soudure a été entreprise. Afin de comprendre les raisons de la faible résistance mécanique en fluage de l'ICHAZ, les microstructures de l'ICHAZ et du métal de base ont comparées à différentes échelles (MEB, EBSD, MET). Cette comparaison a également permis de valider la microstructure de synthèse. La caractérisation microstructurale des deux zones ne révèle pas de différences significatives ni sur la matrice de martensite revenu, ni en termes de précipitation. L'origine de sa moindre résistance à l'écoulement viscoplastique n'est donc pas résolue.Un effet de structure lié aux différences de propriétés mécaniques des zones de la soudure, est quantitativement étudié par modélisation des essais de fluage sur joint complet. / In the framework of the development of Generation IV nuclear power plants, ASME Grade 92 ferritic-martensitic steel is a candidate material for components subjected to long-term creep at high temperature. The aim of this study is to characterize the microstructure of Grade 92 butt welded joints and to model their creep behavior at 550 °C. Two filler rods were used for this study.The microstructure of the different weld regions was quantitatively characterized. In order to understand the weaker mechanical properties of the ICHAZ compared to the other regions of the welded joint, the microstructures of the base metal and the ICHAZ were compared at different scales (SEM, EBSD, TEM on thin foils and extractive replicas). No significant difference regarding microtexture, sub-structure and precipitation state was highlighted between both microstructures. The origin of the weaker resistance of the ICHAZ to viscoplastic flow is still not fully understood. A softer zone was found in the base metal close to the ICHAZ, yet with finer subgrains than the base metal,. It was supposed to be a thermomechanically-affected zone (TMAZ).At high temperatures and low stress levels, Grade 92 welded joints may be sensitive to type IV cracking, which occurs in the intercritical heat affected zone (ICHAZ). Creep tests conducted at 550 °C on cross-weld specimens revealed that fracture takes place in the ICHAZ, even for short-term creep tests (i.e., lifetime lower than 1000h).In order to model the creep behavior of the welded joint, viscoplastic constitutive equations for the different regions of the weld assembly were required. The viscoplastic behavior of the base metal, weld metal and of the ICHAZ were modeled using a phenomenological approach. The viscoplastic flow behavior of the weld metal and of the ICHAZ was experimentally determined (i) from tensile tests with displacement field measurements and (ii) from creep tests on tensile bars notched in the region of interest. An alternative method was also used to determine the creep behavior of the ICHAZ. It consists in reproducing the microstructure of this region by a thermal treatment and in carrying out creep tests on notched specimens cut from the heat-treated blanks. The parameters of constitutive equations (power-law flow rule together with a von Mises equivalent stress formulation and isotropic hardening according to a Voce-type evolutionary equation) were then fitted separately for the different zones of the welded joint.Constraint effects related to differences in mechanical properties between the different regions were quantitatively studied trough modeling of creep tests on the cross-weld specimens. For the stress levels experimentally considered, the contrast in strength between the different regions induces an increase in stress triaxiality in the softer zone (i.e. the ICHAZ) together with strain localization.Keywords: Creep, welded joint, Grade 92 steel.

Les douleurs lombaires représentent l'une des premières causes d'intervention chirurgicale dans le monde, et requièrent le recours à une instrumentation du rachis complémentaire pour environ 1% des patients. La technique instrumentée standard est l'arthrodèse ; elle consiste en l'immobilisation des vertèbres adjacentes par un système composé de vis pédiculaires et de tiges. Les résultats cliniques sont généralement satisfaisants. Cependant, des cas de complications subsistent, en particulier la dégénérescence du segment adjacent pouvant entraîner une reprise chirurgicale. Pour répondre à ce problème, les implants dits « stabilisation dynamique » ont été conçus avec pour objectif de maintenir une mobilité au niveau instrumenté afin de ne pas sur-contraindre les structures environnantes. Cette étude consiste en l'évaluation clinique et biomécanique d'un de ces implants. Tout d'abord, nous avons mené une campagne d'essais de caractérisation mécanique de l'implant isolé afin de connaître précisément ses propriétés et de pouvoir le modéliser de façon fidèle et validée. Un travail clinique rétrospectif a ensuite été réalisé pour quantifier les résultats obtenus et proposer un protocole d'étude prospective qui réponde aux contraintes cliniques et aux exigences scientifiques actuelles. Une campagne d'essais in-vitro sur segment lombaire a ensuite été menée pour compléter notre connaissance du comportement biomécanique du rachis instrumenté. Ceci nous a permis de valider une modélisation en éléments finis du rachis instrumenté utilisé notamment pour étudier l'influence du design de l'implant ainsi que des gestes réalisés lors de la chirurgie. / Back pain is one of the first causes of surgical intervention in the world and instrumentation is needed for about 1 patient out of 100 . Fusion is the gold standard for instrumented surgery and consists in fixation of two adjacent vertebra together with pedicular screws and rigid rods. Clinical outcomes of fusion are satisfactory but some cases of adverse events remain such as adjacent segment degeneration sometimes leading to revision surgery. Dynamic stabilization devices have been proposed to tackle this issue with the objective of maintaining motion at the instrumented level and thus limiting the surrounding structure overloading. This work aims at assessing one dynamic stabilization device. We first performed mechanical testing on the device to better understand its functioning and come up with a detailed and validated model. Then a retrospective clinical work has been conducted to lay out the clinical performances of the device and propose a prospective study design to answer clinical and scientific requirements. A biomechanical in-vitro testing campaign has been set up to increase our knowledge about the behaviour of the instrumented spine. This enabled us to validate a finite elements model then used for the study of the influence of several design parameters but also of several choices made during the surgery.

Le grenaillage de précontrainte est un procédé couramment utilisé dans l’industrie (automobile, aréonautique, …) pour augmenter la durée de vie des pièces mécaniques et de structure : des contraintes de compression sont générées par déformation plastique de la surface. Dans le cas des aciers TRIP (TRansformation Induced Plasticity), qui possèdent une microstructure complexe, l’austénite métastable est susceptible de se transformer en martensite lors du grenaillage. L’état de contraintes obtenu est donc complexe : il résulte de l’effet combiné de la déformation plastique induite par le procédé et de la transformation martensitique qui conduit à une redistribution des contraintes entre l’austénite et la martensite. Ce travail a pour objectif de caractériser expérimentalement l’état mécanique, à l’échelle des phases, de différents aciers TRIP (AISI 301LN, TRIP 780 et 23MnCrMo5) ainsi que leurs fractions de phase respectives après grenaillage et d’en proposer une modélisation par éléments finis pouvant être, à terme, utilisée en bureaux d’études. Le modèle élastoplastique à transformation de phase, développé dans cette thèse, permet de prédire l’évolution des différents champs mécaniques, de manière macroscopique mais également à l’échelle des phases, ainsi que l’évolution de la fraction d’austénite résiduelle. / Shot-peening is commonly used in mechanical industries to increase life duration of mechanical and structural parts: residual compressive stresses are developed at the sub-surface of the material by plastic stretching of the surface. In the case of TRIP-effect steels (TRansformation Induced Plasticity), the metastable austenite can transform into martensite during shot-peening. The final distribution of stress is then more complex than for “standard steels” as it results from the mechanical strain imposed by the process and the martensitic transformation leading to a stress redistribution between austenite, martensite and the other phases. This work aims to characterize experimentally the mechanical state, at phase scale, of different TRIP steels (AISI 301LN, TRIP 780 and 23MnCrMo5) as well as the fraction of each phase after shot-peening and to propose a numerical model by finite elements which could be used in the future by engineering offices. An elastoplastic model with phase transformation was developed in this thesis which permits to predict the evolution of mechanical variables, macroscopically and at the phase scale, as well as the evolution of austenite volume fraction

El Museo de Sitio Bodega y Quadra es el primer museo de sitio del Centro Histórico que muestra detalles del estilo de vida en la Lima antigua. Declarada Patrimonio Cultural Inmueble Colonial por el INC, actual Ministerio de Cultura; es por ello que consideramos importante realizar la evaluación estructural del mismo ante un evento sísmico severo. Dicha evaluación se ha realizado mediante el programa “VisualFEA”, el cual se basa en la teoría de los elementos finitos, además se ha respetado la norma de diseño peruana y las consideraciones necesarias por ser, la estructura en estudio, un monumento histórico. La presente es una investigación aplicada, cuantitativa, explicativa y descriptiva; de diseño no experimental, transversal y prospectivo. Se concluye que la estructura no cumple los desplazamientos mínimos, según norma, al someterla al sismo severo; por lo que se procede a plantear la propuesta de reforzamiento estructural haciendo uso de las técnicas de reconstrucción local y refuerzo externo, evitando afectar la integridad y la autenticidad de los materiales por tratarse de un patrimonio cultural. The museum of site Bodega y Quadra is the first museum of the historic center which shows the old´s life style of lima citizen. It was named Cultural Heritage Colonial Property by the Ministerio de la Cultura; because of that reason we considered important to realize the structural assessment of this museum to prevent any problem in case of a severe earthquake. This thesis has been done using the “VisualFEA” software which is based on the theory of the finite elements, besides it has been considered the Peruvian regulation of design and the properly considerations since it is a Heritage Property. This is an applied, quantitative, descriptive and explanatory research; design not experimental, transversal and prospective. Concludes that the structure does not meet minimum displacement, as a rule, when subjected to sever earthquake; so it proceeds to raise the proposed structural reinforcement using the local reconstruction technique and external reinforcement, preventing affect the integrity and authenticity of the materials because it is a historical monument.

Avec l’arrivée de l’Analyse IsoGéométrique (IGA), le calcul de coque est devenu possible en utilisant la géométrie exacte pour des maillages grossiers. Pour cela, les polynômes de Lagrange sont remplacés pour l’interpolation par des fonctions NURBS (technologie la plus courante en conception assistée par ordinateur). De plus, ces fonctions possèdent une continuité supérieure ce qui offre une meilleure précision qu’un calcul éléments finis à nombre de degrés de liberté égal. L’IGA a déjà été développée pour les formulations coques. Elle n’a été cependant que très peu étudiée pour les modèles massifs coque. Pourtant, cette deuxième approche est très utilisée par l’ingénieur car elle permet de calculer des structures minces à l’aide d’éléments continus 3D, c’est-à-dire en faisant intervenir uniquement des inconnues en déplacements. La difficulté en calcul de coque est de faire face au verrouillage qui conduit à une forte dégradation de la convergence de la solution. Le cadre NURBS ne permet pas lui-même de résoudre ce problème. La meilleure efficacité de l’approximation NURBS ne peut donc être atteinte sans le développement de techniques particulières pour supprimer le verrouillage. C’est le but de cette thèse dans le cadre des éléments massifs coque. Le premier travail a consisté, sur un problème de poutre courbe, à étendre les méthodes sans verrouillage habituelles au contexte NURBS. Deux nouvelles stratégies ont alors été développées pour les NURBS : la première est basée sur une technique d’intégration réduite tandis que la seconde fait appel à une projection B-bar. Le formalisme général des méthodes B-bar semblant plus adapté, c’est celui-ci que nous avons développé ensuite pour les éléments massifs coque. Plus précisément, nous avons mis en place une formulation mixte de laquelle nous avons pu dériver la projection B-bar équivalente. Cette démarche constitue d’un point de vue théorique le résultat principal du travail : une méthode systématique pour construire une projection B-bar consistante est de passer par une formulation mixte. D’un point de vue mise en œuvre, l’idée principale pour traiter le verrouillage des éléments massifs coque a été de modifier l’interpolation de la moyenne dans l’épaisseur de la coque des composantes du tenseur des contraintes. Un contrôle de hourglass a aussi été ajouté pour stabiliser l’élément dans certaines situations. L’élément obtenu est de bonne qualité pour une interpolation de bas degrés et des maillages grossiers : la version quadratique semble plus précise que des éléments standards NURBS de degré 4. La méthode proposée conduit à une matrice de rigidité globale de petite taille mais pleine. Ce problème est inhérent aux NURBS. Il a pu être limité ici en utilisant une procédure de type moindres carrés locaux pour approcher la projection B-bar. Finalement, l’élément mixte a été étendu avec succès en non linéaire géométrique ce qui témoigne du potentiel de la méthode pour mener des simulations complexes. / With the introduction of IsoGeometric Analysis (IGA), the calculation of shell has become possible using the exact geometry for coarse meshes. In order to that, Lagrange polynomials are replaced by NURBS functions, the most commonly used technology in Computer-Aided Design, to perform the analysis. In addition, NURBS functions have a higher order of continuity, which leads to higher per-degree-of-freedom accuracy of the shell solution than with classical Finite Elements Analysis (FEA). IGA has now been widely applied in shell formulations. Nevertheless, it has still rarely been studied in the context of solid-shell models. This second shell approach is, however, very useful for engineers, since it enables to calculate thin structures using 3D solid elements, i.e. involving only displacements as degrees of freedom. The difficulty in shell analysis is to deal with locking which highly deteriorates the convergence of the solution. The NURBS framework does not enable to solve the problem directly. Then, to really benefit from NURBS in shells, specific strategies need to be implemented to answer the locking issue. This is the goal of the thesis in the context of solid-shell elements. The first work has consisted, on a curved beam problem, in extending the locking-free methods usually encountered in FEA to the NURBS context. The study resulted in the development of two new strategies for NURBS: the first one is based on a selective reduced integration technique and the second one makes use of a B-bar projection. The global formalism offered by the B-bar method appearing more suitable for NURBS, it has then been investigated for solid-shell elements. More precisely, a mixed formulation has first been elaborated from which, it has been possible to derive the equivalent B-bar projection. From a theoretical point of view, this strategy constitutes the most important result of this work: a systematic method to construct a consistent B-bar projection is to write a mixed formulation. With regards to the implementation, the main idea to treat locking of the solid-shell elements has been to modify the average of the strain and stress components across the thickness of the shell. Hourglass control has also been added to stabilize the element in particular situations. The resulting element is of good quality for low order approximations and coarse meshes: the quadratic version seems to be more accurate than basic NURBS elements of order 4. The proposed method leads to a global stiffness matrix of small size but full. This problem is inherent to NURBS functions. It has been limited here by using a local least squares procedure to approach the B-bar projection. Finally, the mixed element has been successfully extended to geometric non-linearity which reflects the ability of the methodology to be used in complex simulations.

La diffusion de l’hydrogène dans les métaux est un paramètre clef pour la compréhension des mécanismes de base de la fragilisation par l’hydrogène. Néanmoins, le rôle des joints de grains dans le processus de diffusion de cet élément reste à éclaircir. Avec une approche numérique, nous avons étudié les effets d’un réseau hétérogène de joints de grains sur la diffusivité macroscopique de l’hydrogène. Pour cela, des essais de perméation ont été simulés par la méthode des éléments finis, en modélisant le matériau comme un composite formé d’une phase intra-associée aux grains et deux phases intergranulaires, avec des propriétés de diffusion différentes. Nous avons montré, en caractérisant la topologie et la connectivité du réseau des joints de grains, qu’il existe des fortes corrélations entre les paramètres de connectivité et le coefficient de diffusion effectif. Il a été démontré également que ces corrélations sont plus importantes dans les matériaux nanocristallins. De plus, en utilisant une approche d’homogénéisation, il a été mis en évidence que le coefficient de diffusion effectif est contrôlé par le caractère percolant du réseau des joints de grains, sans pour autant avoir le même seuil de percolation que ces derniers. Une seconde étude, utilisant des microstructures de nickel obtenues par cartographies EBSD, a permis d’évaluer l’écart entre la connectivité des modèles simplifiés et les structures réelles. Cette étude a permis également de confronter les coefficients de diffusion effectifs obtenus par la simulation à des données de la littérature. En parallèle, une étude expérimentale a été conduite sur le nickel pour analyser l’influence des joints de grains sur la distribution locale de l’hydrogène. Les résultats ont montré des corrélations importantes entre la nature du joint de grains et le profil de concentration de l’hydrogène autour de ce joint, qui ne peuvent pas être expliquées uniquement par le processus de diffusion. / The diffusion of hydrogen in metals is a key factor for understanding the basic mechanisms of hydrogen embrittlement. However, the contribution of grain boundaries to the hydrogen diffusion is not well established. In this this work, we first investigated the effects of a heterogeneous grain boundary networks on the effective diffusivity in polycrystalline materials, using finite elements modeling. To do so, hydrogen diffusion through heterogeneous materials, modeled by a ternary continuum composite media, was simulated. We showed, by characterizing the grain-boundary connectivity, that there are strong correlations between the grain-boundary connectivity parameters and the effective diffusivity. It was found also that these correlations are more significant for nanocrystalline materials. Moreover, by using a homogenization method, it was evidenced that the percolation behavior of the effective diffusivity is controlled by the grain-boundary network evolution, without exhibiting the same percolation threshold than the latter. A second approach, using EBSD-based microstructures, was conducted to evaluate the effect of microstructural constraints on the grain boundary connectivity and to compare the effective diffusivity numerically obtained with experimental data on polycrystalline nickel from literature. In parallel, experimental analyses were performed to analyze the effects of the grain boundaries on the local hydrogen concentration. This highlighted the significant impact of grain-boundary character on the hydrogen distribution around grain boundaries, which can not be explained by the only diffusion process.

Il n'existe pas de nos jours une approche modélisatrice satisfaisante de la fissuration des structures en béton de grandes dimensions, capable d'apporter à la fois des informations sur son comportement global et local. Il s'agit pourtant d'un enjeu important pour la maîtrise de la durée de vie des structures, qui s'inscrit pleinement dans le cadre du développement durable. Nous introduisons ainsi une nouvelle approche pour modéliser le processus de fissuration dans les grandes structures en béton armé, comme les barrages ou les centrales nucléaires. Pour ces types de structures, il n'est pas raisonnable, en terme de temps de calcul, de modéliser explicitement les armatures et l'interface acier-béton. Néanmoins, l'accès aux données sur la fissuration est impératif pour les problèmes d'analyse structurelle et de diffusion. Nous avons donc développé un modèle de fissuration macroscopique probabiliste basé sur une stratégie de simulation multi-échelles afin d'obtenir de linformation sur la fissuration dans la structure, sans avoir besoin d'utiliser des approches locales. La stratégie est une sorte de processus multi-étapes qui reprend toute la modélisation de la structure dans le cadre de la méthode des éléments finis, du maillage, à la création de modèles et l'identification des paramètres. Le coeur de la stratégie est inspiré des algorithmes de régression (apprentissage supervisé): les données à l'échelle locale | base de données d'apprentissage associées à la connaissance pratique du problème mécanique | aident à formuler le modèle macroscopique. L'identification des paramètres du modèle macroscopique probabiliste dépend du problème traité car elle contient des informations sur le comportement local, obtenues en avance à l'aide de l'expérimentation numérique. Cette information est ensuite projetée à l'échelle des éléments finis macroscopiques par analyse inverse. L'expérimentation numérique est réalisé avec un modèle validé de fissuration du béton et d'un modèle d'interface acier-béton, ce qui permet une description détaillée des processus de fissuration. Bien que la phase d'identification puisse ^etre relativement longue, le calcul structurel est ainsi très efficace en terme de temps de calcul, conduisant à une réduction importante du temps de calcul global, sans perte d'information / précision sur résultats à l'èchelle macroscopique / No modeling approach exists nowadays that can provide reliable information about the cracking process in large/complex reinforced concrete structures. However, this is an important issue for controlling the lifespan of structures, which is at the heart of the principal of sustainable development. In this work we introduce a new approach to model the cracking processes in large reinforced concrete structures, like dams or nuclear power plants. For these types of structures it is unreasonable, due to calculation time, to explicitly model the rebars and the steel-concrete bond. Nevertheless, access to data about the cracking process is imperative for structural analysis and diffusion problems. So in order to draw the information about cracking in the structure, without resorting to the use of local approaches, we developed a probabilistic macroscopic cracking model based on a multi-scale simulation strategy. The strategy is a sort of a multi-steps process that takes over the whole modelization of the structure in the framework of the finite element method, from meshing, to model creation, and parameter identification. The heart of the strategy is inspired from regression (supervised learning) algorithms: data on the local scale | the training data coupled with working knowledge of the mechanical problem | would shape the macroscopic model. The probabilistic macroscopic model's identification is case-specific because it holds information about the local behavior, obtained in advance via numerical experimentation. This information is then projected to the macroscopic finite element scale via inverse analysis. Numerical experiments are performed using a validated cracking model for concrete and a bond model for the steel-concrete interface, allowing for a fine description of the cracking processes. Although the identification phase can be relatively time-consuming, the structural simulation is as a result, very time-efficient, leading to a sensitive reduction of the overall computational time, with no loss in information/accuracy of results on the macroscopic scale