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In this thesis morphologies, coarsening mechanisms and kinetics are examined in a systematic way, when phase separation and subsequent microstructural coarsening is modelled using deterministic mean field and stochastic Monte Carlo methods. For the mean field approach a microscopic diffusion equation due to Khachaturyan is employed, and a variation of it with an environment dependent mobility. Monte Carlo simulations are carried out with vacancy and Kawasaki dynamics, and a residence time algorithm is applied in the vacancy case. In mean field models microstructural evolution results from a direct minimization of a free energy functional, and the mechanism of atomic diffusion does not appear explicitly. In Monte Carlo models, changes in site occupancies are effected by direct exchanges of neighbouring atoms (Kawasaki dynamics), or through vacancy motion. In this thesis the correspondence between mean field and Monte Carlo models in describing phase transformations in binary alloys is examined. Several examples of cases in which these differences between deterministic and stochastic models affect the phase transformation are given, and the underlying differences are analyzed. It is also investigated how the choice of diffusion mechanism in the Monte Carlo model affects the microstructural evolution. Most Monte Carlo studies have been carried out with Kawasaki dynamics, although in real metals such direct exchanges are very unlikely to occur. It will be shown how the vacancy diffusion mechanism produces a variety of coarsening mechanisms over a range of temperatures, which the Kawasaki dynamics fails to capture. Consequently, kinetics and resulting morphologies, especially at low temperatures, are affected. Finally, the question of physicality of time scales in mean field and Monte Carlo models is addressed. Often a linear dependence between Monte Carlo time and real physical time is assumed, although there is no rigorous justifcation for this. In mean field models, time is defined through the atomic mobility. By examining the effect of a realistic diffusion mechanism in systems undergoing phase transformation, a critical discussion of time scales in microscopic mean field models and a Monte Carlo model with Kawasaki dynamics is presented.

La théorie des jeux en champ moyen constitue un formalisme puissant introduit récemmentpour étudier des problèmes d’optimisation stochastiques avec un grand nombre d’agents. Aprèsavoir rappelé les principes de base de cette théorie et présenté quelques cas d’applicationtypiques, on étudie en détail un modèle stylisé de séminaire, de type champ moyen. Nousdérivons une équation exacte qui permet de prédire l’heure de commencement du séminaire etanalysons différents régimes limites, dans lesquels on parvient à des expressions approchées de lasolution. Ainsi on obtient un "diagramme de phase" du problème. On aborde ensuite un modèleplus complexe de population avec des effets de groupe attractifs. Grâce à une analogie formelleavec l’équation de Schrödinger non linéaire, on met en évidence des lois d’évolutions généralespour les valeurs moyennes du problème, que le système vérifie certaines lois de conservation etl’ on développe des approximations de type variationnel. Cela nous permet de comprendre lecomportement qualitatif du problème dans le régime de fortes interactions. / Mean Field Games Theory is a theoretical framework developed recently to deal withstochastic optimization problems when the number of agents is large. First the mathematicaltools are introduced heuristically, step by step, and some examples are presented in finance,economy and social problems. I study then thoroughly a seminar toymodel and derive anequation for the starting time of the meeting. The analysis of the limit regimes allows to builda "phase diagram" of the problem. In a second time, a herding problem, where individualshave their own preferences and are attracted by the group, is tackled. Thanks to a formal analogywith the Non Linear Schrödinger equation, some explicit solutions, conservation laws andso-called variational approximations are derived. Finally I use these tools to get a qualitativeunderstanding of the solution’s behaviour in the strong interaction regime.

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / A presente dissertação estuda com detalhes a evolução temporal fora do equilíbrio de um condensado de Bose-Einstein homogêneo diluído imerso em um reservatório térmico. Nós modelamos o sistema através de um campo de Bose escalar complexo. É apropriado descrever o comportamento microscópico desse sistema por meio da teoria quântica de campos através do formalismo de Schwinger-Keldysh. Usando esse formalismo, de tempo real a dinâmica do condensado é solucionada por um grupo de equações integro-diferencial auto consistente, essas são solucionadas numericamente. Estudamos também o cenário quench, e como a densidade do gás e as interações entre as flutuações tem o efeito de provocar as instabilidades nesse sistema. Aplicamos esse desenvolvimento para estudar o comportamento de duas espécies homogêneas de um gás de Bose diluído imerso em um reservatório térmico. / This Dissertation study the detailed out of equilibrium time evolution of a homogeneous diluted Bose-Einstein condensate in thermal bath. We modeled the system by means of one bosonic complex scalar field. The microscopic behavior of such an environment can be appropriately described by the non-equilibrium Schwinger-Keldysh formalism in a quantum field theory approach. Using this formalism, real-time dynamics of the condensate is encoded in a set of self-consistent integral-differential equations that we solved numerically. We studied, in the quench scenario, how the role of the interactions in the generation of the initial instability and the subsequent time evolution of the condensate. We also applied this technique to the study of a two-species homogeneous diluted Bose gas in a thermal bath.

Cette thèse de doctorat vise l’examen critique de certaines théories de champ moyen nucléaire phénoménologiques, en se focalisant sur la description fiable des niveaux de particules individuelles. L’approche suivie ici est nouvelle en ce sens que elle permet non seulement la prédiction des valeurs numériques obtenues avec ce formalisme, mais également une estimation des distributions de probabilités correspondant aux résultats expérimentaux. Nous introduisons le concept des ≪erreurs théoriques≫, visant estimer, dans un cadre mathématique bien établi, les incertitudes relatives aux modélisations théoriques. Il est également introduit une notion subjective de pouvoir prédictif des Hamiltoniens nucléaires, qui est analysé dans le contexte des spectres énergétiques de particules individuelles. Le concept mathématique du ≪Problème Inverse≫ est appliqué aux Hamiltoniens de champ moyen réalistes. Cette technique permet la prédiction de propriétés du système partir d’un nombre limité de données. Afin d'approfondir notre connaissance des Problèmes Inverses, nous focalisons notre attention sur un problème mathématique simple. Une fonction dépendant de quatre paramètres libres est introduite afin de reproduire des données ≪expérimentales≫. Nous étudions le comportement des paramètres ≪fittés≫, leur corrélation, ainsi que les erreurs associées. Cette étude nous aide comprendre la signification de la formulation correcte du problème en question. Il nous montre également l'importance d'inclure les erreurs expérimentales et théoriques dans la solution. / This thesis is a critical examination of phenomenological nuclear mean field theories, focusing on reliable description of levels of individual particles. The approach presented here is new in the sense that it not only allows to predict the numerical values obtained with this formalism, but also yields an estimate of the probability distributions corresponding to the experimental results. We introduce the concept of ‘theoretical errors’ to estimate uncertainties in theoreticalmodels. We also introduce a subjective notion of ‘Predictive Power’ of nuclear Hamiltonians, which is analyzed in the context of the energy spectra of individual particles. The mathematical concept of ‘Inverse Problem’ is applied to a realistic mean-field Hamiltonian. This technique allows to predict the properties of a system from a limited number of data. To deepen our understanding of Inverse Problems, we focus on a simple mathematical problem. A function dependent on four free parameters is introduced in order to reproduce ‘experimental’ data. We study the behavior of the ‘fitted’ parameters, their correlation and the associated errors. This study helps us understand the importance of the correct formulation of the problem. It also shows the importance of including theoretical and experimental errors in the solution.

The idea that we live in a higher-dimensional space was first introduced almost 100 years ago. In the past two decades many extra-dimensional models have been proposed in order to solve fundamental problems of nature such as the hierarchy problem. Most of them need exploration via non-perturbative approaches and Lattice Gauge Theory provides a tool for doing this. In this thesis, we make attempts to find a non-perturbative way to localize gauge fields that arise from five-dimensional SU(2) gauge theories on 3-branes. In 1984, it was proposed that the phase diagram of anisotropic extra-dimensional lattice gauge theories inherits a new phase, called the "layered" phase, where the gauge fields behave as four-dimensional ones. This was shown for the abelian case, but the existence of this new phase for the simplest non-abelian group, SU(2), was still in doubt. We investigated this system in large volumes using Monte Carlo simulations and we could not find a second order phase transition from a five-dimensional to a continuous four-dimensional theory when all directions were kept large. This made the model unattractive for further exploration as nothing suggests that a non-trivial fixed point could exist. The above investigation was done in a flat background metric. We extended the previous work by putting our theory into a slice of AdS5 space, usually called the warped background. The motivation for this is that our SU(2) theory looks like the gauge-sector of the Randall-Sundrum model, which does not have a concrete solution to the problem of localization of the gauge fields on a 3-brane. We carried out our investigation using the Mean-Field Approach and we present novel results for the phase diagram and measurements of important observables. In our implementation we have a finite extent of the extra dimension and one layer (or 3-brane) on each extra-dimensional coordinate. At weak coupling, we observed that each layer decouples one at a time in the transition to the fully layered phase of the system, forming a mixed phase, whereas there is a strong and sharp transition between the fully layered and the strong-coupling phase. Within the mixed phase, close to the transition into the layered phase, we found evidence that the system is four-dimensional acquiring a Yukawa mass and resembling a Higgs-like phase. The mixed phase grows as the curvature increases suggesting that for an infinite extra dimension the entire weak-coupling phase is mixed.

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / A presente dissertação estuda com detalhes a evolução temporal fora do equilíbrio de um condensado de Bose-Einstein homogêneo diluído imerso em um reservatório térmico. Nós modelamos o sistema através de um campo de Bose escalar complexo. É apropriado descrever o comportamento microscópico desse sistema por meio da teoria quântica de campos através do formalismo de Schwinger-Keldysh. Usando esse formalismo, de tempo real a dinâmica do condensado é solucionada por um grupo de equações integro-diferencial auto consistente, essas são solucionadas numericamente. Estudamos também o cenário quench, e como a densidade do gás e as interações entre as flutuações tem o efeito de provocar as instabilidades nesse sistema. Aplicamos esse desenvolvimento para estudar o comportamento de duas espécies homogêneas de um gás de Bose diluído imerso em um reservatório térmico. / This Dissertation study the detailed out of equilibrium time evolution of a homogeneous diluted Bose-Einstein condensate in thermal bath. We modeled the system by means of one bosonic complex scalar field. The microscopic behavior of such an environment can be appropriately described by the non-equilibrium Schwinger-Keldysh formalism in a quantum field theory approach. Using this formalism, real-time dynamics of the condensate is encoded in a set of self-consistent integral-differential equations that we solved numerically. We studied, in the quench scenario, how the role of the interactions in the generation of the initial instability and the subsequent time evolution of the condensate. We also applied this technique to the study of a two-species homogeneous diluted Bose gas in a thermal bath.

Os processos de negócio desempenham um papel muito importante na indústria, principalmente pela evolução das tecnologias da informação. As plataformas de computação em nuvem, por exemplo, com a alocação de recursos computacionais sob demanda, possibilitam a execução de processos altamente requisitados. Para tanto, é necessário definir o ambiente de execução dos processos de tal modo que os recursos sejam utilizados de forma ótima e seja garantida a correta funcionalidade do processo. Nesse contexto, diferentes métodos já foram propostos para modelar os processos de negócio e analisar suas propriedades quantitativas e qualitativas. Há, contudo, vários desafios que podem restringir a aplicação desses métodos, especialmente para processos com alta demanda (como os workflows de numerosas instâncias) e que dependem de recursos limitados. A análise de desempenho de workflows de numerosas instâncias via modelagem analítica é o objeto de estudo deste trabalho. Geralmente, para a realização desse tipo de análise usa-se modelos matemáticos baseados em técnicas Markovianas (sistemas estocásticos), que sofrem do problema da explosão do espaço de estados. Entretanto, a Teoria do Campo Médio indica que o comportamento de um sistema estocástico, sob certas condições, pode ser aproximado por o de um sistema determinístico, evitando a explosão do espaço de estados. Neste trabalho usamos tal estratégia e, com base na definição formal de aproximação determinística e suas condições de existência, elaboramos um método para representar os workflows, e seus recursos, como equações diferenciais ordinárias, que descrevem um sistema determinístico. Uma vez definida a aproximação determinística, realizamos a análise de desempenho no modelo determinístico, verificando que os resultados obtidos são uma boa aproximação para a solução estocástica. / Business processes play a very important role in the industry, especially by the evolution of information technologies. Cloud computing platforms, for example, with the allocation of on-demand computing resources enable the execution of highly requested processes. Therefore, it is necessary to define the execution environment of the processes in such a way that the resources are used optimally and the correct functionality of the process is guaranteed. In this context, different methods have already been proposed to model business processes and analyze their quantitative and qualitative properties. There are, however, a number of challenges that may restrict the application of these methods, especially for high-demanded processes (such as workflows of numerous instances) and that rely on resources that are limited. The analysis of the performance of workflows of numerous instances through analytical modeling is the object of study of this work. Generally, for the accomplishment of this type of analysis, mathematical models based on Markovian techniques (stochastic systems) are used, which suffer the problem of the state space explosion. However, the Mean Field Theory, indicates that the behavior of a stochastic system, under certain conditions, can be approximated by that of a deterministic system, avoiding the explosion of the state space. In this work we use such a strategy, based on the formal definition of deterministic approximation and its conditions of existence, we elaborate a method to represent the workflows, and their resources, as ordinary differential equations, which describe a deterministic system. Once the deterministic approximation has been defined, we perform the performance analysis in the deterministic model, verifying that the obtained results are a good approximation for the stochastic solution.

Dans une série de travaux Zied Ammari et Francis Nier ont développé des méthodes pour étudier la dynamique de champ moyen bosonique pour des états quantiques généraux pouvant présenter des corrélations. Ils ont obtenu des formules pour décrire la dynamique des corrélations, ou plus généralement des matrices densité réduites d'ordre arbitraire. Cette thématique a été largement développée ces dernières années. Norbert Mauser en a été un des contributeurs, ainsi que sur la notion de mesure de Wigner qui est la clé de l'analyse développée par Z. Ammari et F. Nier. En général, il est admis que l'asymptotique de champ moyen est une bonne approximation du problème à N particules quand N dépasse la dizaine. Cela concerne l'asymptotique de la matrice densité réduite à une particule qui ne décrit pas la dynamique des corrélations. Un objectif est de tester la validité de la dynamique de champ moyen pour les matrices densité réduites à 2-particules. Pour des tests numériques, les modèles discrets qui n'ont pas été vraiment traités en détail dans les travaux précédents de Z. Ammari et F. Nier semblent bien adaptés. La thèse comprendra donc plusieurs étapes: adapter les résultats précédents de Z. Ammari et F. Nier à des modèles discrets , développer des méthodes numériques pour des systèmes simples mais pertinents, permettant de valider l'approximation de champ moyen et les formules pour la dynamique des corrélations. Au niveau numérique, on utilise des schémas numériques symplectiques, développés spécifiquement ces dernières années pour la discrétisation des équations hamiltoniennes. Une dernière étape concerne la combinaison des deux asymptotiques, champ moyen et approximation des modèles continus par les modèles discrets. / In a serie of works Z. Ammari and F. Nier developed methods to study the dynamics of bosonic mean field for general quantum states which can present correlations. They obtained formulas to describe the dynamics of the correlations, or more generally reduced density matrices with an arbitrary order. This topic was widely developed these last years. N.J. Mauser was one of contributors, as well as on the notion of Wigner measure which is the key of the analysis developed by Z. Ammari and F. Nier. Generally, the mean field asymptotic is admitted is a good approximation of the N-body problem when N exceed about ten. It concerns the asymptotics of the reduced density matrices for one particle which does not describe the dynamics of the correlations. An objective is to test the validity of the mean field dynamics for reduced density matrices for 2 particles. For numerical tests, the discrete models which were not really handled in detail in the previous works of Z. Ammari and F. Nier seem adapted well. The thesis will thus include several steps: adapt the previous results from Z. Ammari and F. Nier to discrete models , develop numerical methods, for simple but relevant systems, allowing to validate the approximation of mean field and the formulas for the dynamics of the correlations. About numerics, symplectic numerical scheme are used, developed specifically these last years for the discretization of the hamiltonian equations. A last possible step concerns the combination of both asymptotics, that is mean field and approximation of the continuous models by the discrete models.

Lors de l'élaboration de pièces métalliques de grandes dimensions, la présence interne de pores est habituellement observée. Ces défauts internes sont généralement refermés lors des premières passes de transformation à chaud. Il y a cependant à l‘heure actuelle un manque de connaissance sur les mécanismes mis en jeu lors de cette refermeture, et par conséquent aucune prédiction précise possible et un taux de rebut assez important. Le travail présenté dans ce manuscrit vise à mieux comprendre les mécanismes de refermeture en identifiant les paramètres procédés, matériaux et morphologiques clés lors de la refermeture. Ce travail s'est déroulé dans le cadre d'un consortium industriel impliquant six partenaires. La problématique industrielle est donc particulièrement variée en termes de matériaux, de procédés et d'états initiaux de pores.Une étude approfondie des modèles existants dans la littérature est d'abord présentée. Les deux familles d'approches utilisées sont discutées : l'approche explicite en champ complet, et l'approche micro-analytique. Il est montré que ces deux approches ne sont pas suffisantes pour établir un modèle de prédiction dont la précision réponde aux enjeux industriels.Une nouvelle approche est donc proposée dans cette thèse à l'échelle mésoscopique. Les mécanismes de refermeture sont étudiés à l'échelle d'un volume élémentaire représentatif (VER), permettant une description 3D particulièrement précise des mécanismes locaux, tout en appliquant des conditions aux limites représentatives des états mécaniques mis en jeu à l'échelle macroscopique.Les mécanismes locaux ont été étudiés au moyen d'une vaste campagne de simulations éléments-finis 3D à l'échelle d'un VER. Les paramètres étudiés sont : les paramètres matériaux, la morphologie du pore, et le chargement thermomécanique subit durant la déformation. L'étude a montré que la morphologie et l'état de contraintes sont de premier ordre sur le comportement en refermeture, et que les paramètres matériaux sont de second ordre. Les influences des paramètres de premier ordre ont ensuite été quantifiées afin de proposer un modèle de prédiction de refermeture robuste. La morphologie du pore est exprimée par le biais de ses dimensions équivalentes (rapports d'élongations tridimensionnels) et de son orientation par rapport à la direction principale de déformation. L'état de contraintes est exprimé par le taux de triaxialité des contraintes.Le modèle a finalement été implémenté dans un code éléments finis de mise en forme et une validation sur cas industriels est présentée afin d'évaluer les bénéfices obtenus par ce nouveau modèle par rapport aux modèles de la littérature. Une validation expérimentale a également été menée par le biais d'essais d'écrasements d'échantillons poreux dont l'état de porosité a été mesuré par micro-tomographie aux rayons X avant et après les essais. / During production of large metal workpieces, an internal presence of voids is usually observed. Such internal defaults are generally closed up during the first passes of hot forming processes. Yet, there is at present a lack of knowledge regarding void closure mechanisms and there is no reliable model that can accurately predict void closure. The amount of non-deliverable products is consequently relatively high. The present work aims to better understand void closure mechanisms with respect to the involved materials, processes and voids' morphological parameters. This work was supported by an industrial consortium involving six partners. The industrial issues were thus particularly diversified in terms of materials, processes and initial void states.An extensive study regarding existing models in the literature is first presented. Two main approaches are discussed: the explicit full-field approach and the micro-analytical approach. It is shown that none of both approaches is sufficient to precisely predict void closure according to the industrial issues.A new approach is thus proposed at the mesoscale. Void closure mechanisms are studied using a representative volume element (RVE). Using this approach an accurate tridimensional description of the void state can be obtained at the RVE scale. Boundary conditions can also be imposed in order to accurately represent thermomechanical conditions from the macro-scale.Local mechanisms of void closure are studied using a large campaign of 3D finite element simulations at the RVE-scale. The studied parameters are: the materials parameters, the void's morphology and the thermomechanical loading that a void might undergo during hot forming processes. The study shows that both the void's morphology and the stress state exhibit a first-order influence on void closure. Materials parameters exhibit a second-order influence on void closure. A new reliable prediction model is thus proposed with respect to the first-order parameters. The void's morphology is quantitatively studied in terms of equivalent dimensions (tridimensional aspect ratios), and orientation (with respect to principal deformation direction). The stress state is expressed using the stress triaxiality ratio.The proposed model was finally implemented in a material forming finite element software. Validation cases are presented using industrial processes in order to highlight the benefits and limitations of this new model with respect to the existing models from the literature. An experimental validation was also performed using compression tests of porous samples. The samples were examined using X-ray micro-tomography before and after compression.