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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
151

Estudos no modelo de Axelrod de disseminação cultural: transição de fase e campo externo / Studies in the Axelrod model of cultural dissemination: Phase transition and external field

Peres, Lucas Vieira Guerreiro Rodrigues 08 August 2014 (has links)
Estudos sobre a manutenção da diversidade cultural sugerem que o mecanismo de interação social, normalmente considerado como responsável pela homogeneização cultural, também pode gerar diversidade. Com o intuito de estudar esse fenômeno, o cientista político Robert Axelrod propôs um modelo baseado em agentes que exibe estados absorventes multiculturais a partir de uma interação homofílica homogeneizadora entre os agentes. Nesse modelo, a diversidade (ou desordem) cultural é produzida pela escolha dos fatores culturais iniciais dos agentes e a interação homofílica age apenas no sentido de reduzir a desordem inicial. Em virtude de sua simplicidade, várias releituras e variações do modelo de Axelrod são encontradas na literatura: introdução de uma mídia externa, alterações da conectividade dos agentes, inserção de perturbações aleatórias, etc. Entretanto, essas propostas carecem de uma análise sistemática do comportamento do modelo no limite termodinâmico, ou seja, no limite em que o número de agentes tende a infinito. Essa tese foca primariamente nesse tipo de análise nos casos em que os agentes estão fixos nos sítios de uma rede quadrada ou nos sítios de uma cadeia unidimensional. Em particular, quando os fatores culturais iniciais dos agentes são gerados por uma distribuição de Poisson, caracterizamos, através de simulações de Monte Carlo, a transição entre a fase ordenada (pelo menos um domínio cultural ´e macroscópico) e a fase desordenada (todos os domínios culturais são microscópicos) na rede quadrada. Entretanto, não encontramos evidência de uma fase ordenada na cadeia unidimensional. Já para fatores culturais iniciais gerados por uma distribuição uniforme, observamos a transição de fase tanto na rede unidimensional como na bidimensional. Por fim, mostramos que a introdução de um campo externo espacialmente uniforme, cuja interpretação é a de uma mídia global influenciando a opinião dos agentes, elimina o regime monocultural do modelo de Axelrod no limite termodinâmico. / Studies on the maintenance of cultural diversity suggest that the mechanism of social interaction, generally regarded as responsible for cultural homogenization, may also generate diversity. In order to study this phenomenon, the political scientist Robert Axelrod proposed an agent-based model that exhibits multicultural absorbing states, despite the homophilic and homogenizing character of the interaction between agents. In this model the cultural diversity (or disorder) is produced by the choice of the initial cultural traits of the agents, and the homphilic interaction acts towards the reduction of the initial disorder. Due to its simplicity, several re-examinations and variants of Axelrods model are found in the literature: the introduction of an external media, changes in the connectivity of the agents, introduction of random perturbations, etc. However, these proposals lack a systematic analysis of the behavior of the model in the thermodynamic limit, i.e., in the limit that the number of agents tends to infinity. This thesis focuses mainly on that type of analysis in the cases the agents are fixed in the sites of a square lattice or in the sites of a chain. In particular, when the initial cultural traits of the agents are generated by a Poisson distribution we characterize, through Monte Carlo simulations, the transition between the ordered phase (at least one macroscopic cultural domain) and the disordered phase (only microscopic domains) in the square lattice. However, we found no evidence of an ordered phase in the one-dimensional lattice (chain). For initial cultural traits generated by a uniform distribution, we find a phase transition in both the one and two-dimensional lattices. Finally, we show that the introduction of a spatially uniform external field, which can be interpreted as a global media influencing the opinion of the agents, eliminates the monocultural regime of Axelrods model in the thermodynamic limit.
152

Ensaios analíticos e numéricos de processos estocásticos unidimensionais / Analytic and numeric essays on one-dimensional stochastic processes

Ferreira, Anderson Augusto 31 March 2009 (has links)
Nesta presente tese, abordaremos três problemas sobre processos estocásticos unidimensionais governados pela equação mestra. Através do Ansatz do Produto Matricial (MPA) determinaremos as condições suficientes para garantir a integrabilidade de um novo processo de difusão num meio com impurezas. Investigando o espectro de tal modelo, computaremos o expoente crítico z que determina como os observáveis atingem o estado estacionário. Em seguida, estudaremos o clássico modelo de 6-vértices bidimensional definido na matriz de transferência diagonal-diagonal, como um modelo de trafego unidimensional com dinâmica síncrona e assíncrona. E para concluir nosso trabalho, investigaremos alguns modelos de processos de contato com difusão, utilizando a teoria de Campo Médio em Cluster. / In this thesis, we discuss three problems on dimensional stochastic processes governed by master equation. By Product Matrix Ansatz (MPA) we determine the conditions sufficient to ensure integrability of a new process of diffusion in a medium with impurities. Investigating the spectrum of this model, we compute the critical exponent z that determines how the observable flow to stationary state. In the folowing, we study the classical 6-vertex model defined in two-dimensional diagonal-diagonal matrix transfer as a unidimensional model of traffic with synchronous and asynchronous dinamics. And to finish our work, we study models of diffusion processes of contact, using the theory of Cluster Mean-Field
153

Tratamento Cinético de um sistema de muitos corpos descritos pelo modelo fermiônico quiral de Gross-Neveu. / Kinetic treatment of a many-body system described by the fermionic chiral Gross-Neveu model.

Natti, Paulo Laerte 06 April 1995 (has links)
Uma técnica de projeção é usada para tratar o problema de condição inicial na teoria quântica de campos. Neste formalismo, equações de movimento do tipo cinético são deduzidas para o conjunto de variáveis dinâmicas de um corpo. Estas equações são submetidas a uma expansão não perturbativa. Tratamos esta expansão em ordem mais baixa, correspondente a aproximacão de campo médio, para um sistema uniforme de muitos fermions fora do equilíbrio descrito pelo modelo fermiônico quiral de gross-neveu. Nesta aproximação recuperamos os resultados existentes na literatura, tais como, geração dinâmica de massa, liberdade assintótica e o fenômeno de transmutação dimensional. Estudando ainda nesta aproximção o regime de pequenas oscilações em torno do equilíbrio, obtemos soluções analíticas para a evolução dinâmica de nossas variáveis. Verificamos também as condições para existencias de estados ligados neste regime. / A time-dependent projection technique is used to treat the initial value problem in Quantum Field Theory. On the basis of the general dynamics of the fields, we derive equations of kinetic type for the set of one-body dynamics variables. A non-perturbative expansion can be written for these equations. We treat this expansion in lowest order, which corresponds to the Mean-Field Approximation, for a non-equilibrium uniform many-fermions system described by Chiral Gross-Neveu Model. Several literature results are obtained such as dynamical mass generation, dimensional transmutation and asymptotic freedom. In this approximation we study the small oscillations regime obtaining analytical solution for one-body dynamical variables. We have also examined the condition for the existence of bound-state in this case.
154

Um Estudo do Método de Monte Carlo de Campo Médio / A study of the method of Monte-Carlo mean field

Henriques, Eduardo Fontes 18 December 1992 (has links)
Utilizamos o método de Monte-Carlo de campo médio, proposto por Netz e Berker, para estudar o comportamento termodinâmico dos modelos de Ising e de Blume-Capel numa rede quadrada. Esse método mistura conceitos de amostragem aleatória (Monte Carlo) com equações de campo médio usual. Seus autores afirmam que o método pode permitir representações de diagramas de fase com amostragens muito menores do que as usadas nas simulações de Monte Carlo convencionais e com a eliminação de certas consequências indesejáveis da aplicação das equações de consistência de campo médio. Entretanto, não observamos, pelo menos nos modelos que foram estudados, uma tendência clara de redução de amostragens (número de passos de Monte Carlo) em relação a simulações computacionais pelos métodos conhecidos. Além disso, os nossos cálculos apontam na direção de uma grande semelhança com os resultados usuais de uma aproximação de Bethe-Peierls. Esses problemas devem ser somados ao fato de não haver uma boa explicação para o mecanismo do método de Netz e Berker, dada a dificuldade de estudar a dinâmica em que ele se baseia. / We have used the method of Monte Carlo Mean Field, recently proposed by Netz and Berker, to study the thermodynamic behavior of the Ising and Blume-Capel models on square lattices. This method merges concepts of stochastic sampling (Monte Carlo) with the usual mean-field equations. Their authors claim that the method permits representations of phase diagrams with much less samplings than those used in conventional Monte Carlo simulations, eliminating also certain undesirable consequences of the application of the mean - field consistency equations. However, we haven\'t observed, at least in the models we have studied, a clear tendency of a reduction of the samplings (number of Monte Carlo steps) compared with computational simulations by other known methods. Also, our calculations point to great resemblances with usual results given by Bethe-Peierls approximations. To these problems, we must add the fact that there is no good explanation for the machinery of Netz and Berker\'s method, given the difficulty of studying the stochastic dynamics on wich is based.
155

Transições de fase e processos de nucleação no espaço de regras de autômatos celulares / Phase transitions and nucleation processes in cellular automata rule space

Reia, Sandro Martinelli 02 September 2011 (has links)
O autômato celular Game of LIFE (GL) exibe comportamento coletivo não-trivial (Classe IV de Wolfram) a partir de regras locais simples. Na década de 1990, conjecturou-se que o autômato seria um exemplo de sistema não-conservativo com criticalidade auto-organizada. Nesse trabalho refutamos essa conjectura verificando que o regime transiente para estados absorventes não escala de forma correta para redes grandes. Usando uma aproximação de campo médio com considerações sobre interfaces para a rede quadrada, definimos um parâmetro de controle sigma0 relacionado com a razão de ramificação da interface da fase absorvente. A partir da análise de um grande número de autômatos celulares (6144), encontramos uma transição de fase descontínua no espaço de regras dos autômatos celulares totalistas. Também encontramos que o GL é um autômato celular quasi-crítico, com sigma0=1.006, ou seja, o GL equivale a um processo de nucleação quasi-crítico. Mostramos que essa quasi-criticalidade é resultado da coexistência e competição entre a fase viva e a fase morta: embora o LIFE esteja destinado à extinção (ao estado absorvente morto), o decaimento é adiado devido a um forte ralentamento crítico. / The cellular automaton Game of LIFE exhibits non-trivial collective behavior (Wolfram Class IV) from local simple rules. In the 1990s, it was conjectured that the automaton would be an example of self-organized criticality in non-conservative systems. In this work we refute this conjecture by verifying that the transient regime to absorbing states does not scale for large lattice sizes. By using a mean-field approximation with considerations about interfaces in square lattices, we define a control parameter sigma0 related to the interfacial absorbing phase branching rate. From the analysis of a large number of cellular automata (6144), we find a discontinuous phase transition in the cellular automata rule space. We also find that LIFE is a quasi-critical cellular automaton, with sigma0=1.006, that is, LIFE is a quasi-critical nucleation process. It is shown that this quasi-criticality is a result of coexistence and competition between the living and dead phases: although LIFE is destined to extinction (to the dead absorbing state), this decay is delayed due to a strong critical slowing down.
156

Allocations de ressources dans les réseaux sans fils énergétiquement efficaces. / Radio Resource Management for Green Wireless Networks

De Mari, Matthieu 01 July 2015 (has links)
Dans le cadre de cette thèse, nous nous intéressons plus particulièrement àdeux techniques permettant d’améliorer l’efficacité énergétique ou spectrale desréseaux sans fil. Dans la première partie de cette thèse, nous proposons de combinerles capacités de prédictions du contexte futur de transmission au classiqueet connu tradeoff latence - efficacité énergétique, amenant à ce que l’on nommeraun réseau proactif tolérant à la latence. L’objectif dans ce genre de problèmesconsiste à définir des politiques de transmissions optimales pour un ensembled’utilisateur, qui garantissent à chacun de pouvoir accomplir une transmissionavant un certain délai, tout en minimisant la puissance totale consommée auniveau de chaque utilisateur. Nous considérons dans un premier temps le problèmemono-utilisateur, qui permet alors d’introduire les concepts de tolérance àla latence, d’optimisation et de contrôle de puissance qui sont utilisés dans lapremière partie de cette thèse. L’extension à un système multi-utilisateurs estensuite considérée. L’analyse révèle alors que l’optimisation multi-utilisateurpose problème du fait de sa complexité mathématique. Mais cette complexitépeut néanmoins être contournée grâce aux récentes avancées dans le domainede la théorie des jeux à champs moyens, théorie qui permet de transiter d’unjeu multi-utilisateur, vers un jeu à champ moyen, à plus faible complexité. Lessimulations numériques démontrent que les stratégies de puissance retournéespar l’approche jeu à champ moyen approchent notablement les stratégies optimaleslorsqu’elles peuvent être calculées, et dépassent les performances desheuristiques communes, lorsque l’optimum n’est plus calculable, comme c’est lecas lorsque le canal varie au cours du temps.Dans la seconde partie de cettethèse, nous investiguons un possible problème dual au problème précédent. Plusspécifiquement, nous considérons une approche d’optimisation d’efficacité spectrale,à configuration de puissance constante. Pour ce faire, nous proposonsalors d’étudier l’impact sur le réseau des récentes avancées en classification d’interférence.L’analyse conduite révèle que le système peut bénéficier d’uneadaptation des traitements d’interférence faits à chaque récepteur. Ces gainsobservés peuvent également être améliorés par deux altérations de la démarched’optimisation. La première propose de redéfinir les groupes d’interféreurs decellules concurrentes, supposés transmettre sur les mêmes ressources spectrales.L’objectif étant alors de former des paires d’interféreurs “amis”, capables detraiter efficacement leurs interférences réciproques. La seconde altération portele nom de “Virtual Handover” : lorsque la classification d’interférence est considérée,l’access point offrant le meilleur SNR n’est plus nécessairement le meilleuraccess point auquel assigner un utilisateur. Pour cette raison, il est donc nécessairede laisser la possibilité au système de pouvoir choisir par lui-même la façondont il procède aux assignations des utilisateurs. Le processus d’optimisationse décompose donc en trois parties : i) Définir les coalitions d’utilisateurs assignésà chaque access point ; ii) Définir les groupes d’interféreurs transmettantsur chaque ressource spectrale ; et iii) Définir les stratégies de transmissionet les traitements d’interférences optimaux. L’objectif de l’optimisationest alors de maximiser l’efficacité spectrale totale du système après traitementde l’interférence. Les différents algorithmes utilisés pour résoudre, étape parétape, l’optimisation globale du système sont détaillés. Enfin, des simulationsnumériques permettent de mettre en évidence les gains de performance potentielsofferts par notre démarche d’optimisation. / In this thesis, we investigate two techniques used for enhancing the energy orspectral efficiency of the network. In the first part of the thesis, we propose tocombine the network future context prediction capabilities with the well-knownlatency vs. energy efficiency tradeoff. In that sense, we consider a proactivedelay-tolerant scheduling problem. In this problem, the objective consists ofdefining the optimal power strategies of a set of competing users, which minimizesthe individual power consumption, while ensuring a complete requestedtransmission before a given deadline. We first investigate the single user versionof the problem, which serves as a preliminary to the concepts of delay tolerance,proactive scheduling, power control and optimization, used through the first halfof this thesis. We then investigate the extension of the problem to a multiusercontext. The conducted analysis of the multiuser optimization problem leads toa non-cooperative dynamic game, which has an inherent mathematical complexity.In order to address this complexity issue, we propose to exploit the recenttheoretical results from the Mean Field Game theory, in order to transitionto a more tractable game with lower complexity. The numerical simulationsprovided demonstrate that the power strategies returned by the Mean FieldGame closely approach the optimal power strategies when it can be computed(e.g. in constant channels scenarios), and outperform the reference heuristicsin more complex scenarios where the optimal power strategies can not be easilycomputed.In the second half of the thesis, we investigate a dual problem to the previousoptimization problem, namely, we seek to optimize the total spectral efficiencyof the system, in a constant short-term power configuration. To do so, we proposeto exploit the recent advances in interference classification. the conductedanalysis reveals that the system benefits from adapting the interference processingtechniques and spectral efficiencies used by each pair of Access Point (AP) and User Equipment (UE). The performance gains offered by interferenceclassification can also be enhanced by considering two improvements. First, wepropose to define the optimal groups of interferers: the interferers in a samegroup transmit over the same spectral resources and thus interfere, but can processinterference according to interference classification. Second, we define theconcept of ’Virtual Handover’: when interference classification is considered,the optimal Access Point for a user is not necessarily the one providing themaximal SNR. For this reason, defining the AP-UE assignments makes sensewhen interference classification is considered. The optimization process is thenthreefold: we must define the optimal i) interference processing technique andspectral efficiencies used by each AP-UE pair in the system; ii) the matching ofinterferers transmitting over the same spectral resources; and iii) define the optimalAP-UE assignments. Matching and interference classification algorithmsare extensively detailed in this thesis and numerical simulations are also provided,demonstrating the performance gain offered by the threefold optimizationprocedure compared to reference scenarios where interference is either avoidedwith orthogonalization or treated as noise exclusively.
157

Rheology and Structure Formation in Complex Polymer Melts

Schneider, Ludwig 10 April 2019 (has links)
No description available.
158

Équation de Hamilton-Jacobi et jeux à champ moyen sur les réseaux / Hamilton-Jacobi equations and Mean field games on networks

Dao, Manh-Khang 17 October 2018 (has links)
Cette thèse porte sur l'étude d'équation de Hamilton-Jacobi-Bellman associées à des problèmes de contrôle optimal et de jeux à champ moyen avec la particularité qu'on se place sur un réseau (c'est-à-dire, des ensembles constitués d'arêtes connectées par des jonctions) dans les deux problèmes, pour lesquels on autorise différentes dynamiques et différents coûts dans chaque bord d'un réseau. Dans la première partie de cette thèse, on considère un problème de contrôle optimal sur les réseaux dans l'esprit des travaux d'Achdou, Camilli, Cutrì & Tchou (2013) et Imbert, Moneau & Zidani (2013). La principale nouveauté est qu'on rajoute des coûts d'entrée (ou de sortie) aux sommets du réseau conduisant à une éventuelle discontinuité de la fonction valeur. Celle-ci est caractérisée comme l'unique solution de viscosité d'une équation Hamilton-Jacobi pour laquelle une condition de jonction adéquate est établie. L'unicité est une conséquence d'un principe de comparaison pour lequel nous donnons deux preuves différentes, l'une avec des arguments tirés de la théorie du contrôle optimal, inspirée par Achdou, Oudet & Tchou (2015) et l'autre basée sur les équations aux dérivées partielles, d'après Lions & Souganidis (2017). La deuxième partie concerne les jeux à champ moyen stochastiques sur les réseaux. Dans le cas ergodique, ils sont décrits par un système couplant une équation de Hamilton-Jacobi-Bellman et une équation de Fokker- Planck, dont les inconnues sont la densité m de la mesure invariante qui représente la distribution des joueurs, la fonction valeur v qui provient d'un problème de contrôle optimal "moyen" et la constante ergodique ρ. La fonction valeur v est continue et satisfait dans notre problème des conditions de Kirchhoff aux sommets très générales. La fonction m satisfait deux conditions de transmission aux sommets. En particulier, due à la généralité des conditions de Kirchhoff, m est en général discontinue aux sommets. L'existence et l'unicité d'une solution faible sont prouvées pour des Hamiltoniens sous-quadratiques et des hypothèses très générales sur le couplage. Enfin, dans la dernière partie, nous étudions les jeux à champ moyen stochastiques non stationnaires sur les réseaux. Les conditions de transition pour la fonction de valeur v et la densité m sont similaires à celles données dans la deuxième partie. Là aussi, nous prouvons l'existence et l'unicité d'une solution faible pour des Hamiltoniens sous-linéaires et des couplages et dans le cas d'un couplage non-local régularisant et borné inférieurement. La principale difficulté supplémentaire par rapport au cas stationnaire, qui nous impose des hypothèses plus restrictives, est d'établir la régularité des solutions du système posé sur un réseau. Notre approche consiste à étudier la solution de l'équation de Hamilton-Jacobi dérivée pour gagner de la régularité sur la solution de l'équation initiale. / The dissertation focuses on the study of Hamilton-Jacobi-Bellman equations associated with optimal control problems and mean field games problems in the case when the state space is a network. Different dynamics and running costs are allowed in each edge of the network. In the first part of this thesis, we consider an optimal control on networks in the spirit of the works of Achdou, Camilli, Cutrì & Tchou (2013) and Imbert, Monneau & Zidani (2013). The main new feature is that there are entry (or exit) costs at the edges of the network leading to a possible discontinuous value function. The value function is characterized as the unique viscosity solution of a Hamilton-Jacobi equation for which an adequate junction condition is established. The uniqueness is a consequence of a comparison principle for which we give two different proofs. One uses some arguments from the theory of optimal control and is inspired by Achdou, Oudet & Tchou (2015). The other one is based on partial differential equations techniques and is inspired by a recent work of Lions & Souganidis (2017). The second part is about stochastic mean field games for which the state space is a network. In the ergodic case, they are described by a system coupling a Hamilton- Jacobi-Bellman equation and a Fokker-Planck equation, whose unknowns are the density m of the invariant measure which represents the distribution of the players, the value function v which comes from an "average" optimal control problem and the ergodic constant ρ. The function v is continuous and satisfies general Kirchhoff conditions at the vertices. The density m satisfies dual transmission conditions. In particular, due to the generality of Kirchhoff’s conditions, m is in general discontinuous at the vertices. Existence and uniqueness are proven for subquadratic Hamiltonian and very general assumptions about the coupling term. Finally, in the last part, we study non-stationary stochastic mean field games on networks. The transition conditions for value function v and the density m are similar to the ones given in second part. Here again, we prove the existence and uniqueness of a weak solution for sublinear Hamiltonian and bounded non-local regularizing coupling term. The main additional difficulty compared to the stationary case, which imposes us more restrictive hypotheses, is to establish the regularity of the solutions of the system placed on a network. Our approach is to study the solution of the derived Hamilton-Jacobi equation to gain regularity over the initial equation.
159

Um Estudo do Método de Monte Carlo de Campo Médio / A study of the method of Monte-Carlo mean field

Eduardo Fontes Henriques 18 December 1992 (has links)
Utilizamos o método de Monte-Carlo de campo médio, proposto por Netz e Berker, para estudar o comportamento termodinâmico dos modelos de Ising e de Blume-Capel numa rede quadrada. Esse método mistura conceitos de amostragem aleatória (Monte Carlo) com equações de campo médio usual. Seus autores afirmam que o método pode permitir representações de diagramas de fase com amostragens muito menores do que as usadas nas simulações de Monte Carlo convencionais e com a eliminação de certas consequências indesejáveis da aplicação das equações de consistência de campo médio. Entretanto, não observamos, pelo menos nos modelos que foram estudados, uma tendência clara de redução de amostragens (número de passos de Monte Carlo) em relação a simulações computacionais pelos métodos conhecidos. Além disso, os nossos cálculos apontam na direção de uma grande semelhança com os resultados usuais de uma aproximação de Bethe-Peierls. Esses problemas devem ser somados ao fato de não haver uma boa explicação para o mecanismo do método de Netz e Berker, dada a dificuldade de estudar a dinâmica em que ele se baseia. / We have used the method of Monte Carlo Mean Field, recently proposed by Netz and Berker, to study the thermodynamic behavior of the Ising and Blume-Capel models on square lattices. This method merges concepts of stochastic sampling (Monte Carlo) with the usual mean-field equations. Their authors claim that the method permits representations of phase diagrams with much less samplings than those used in conventional Monte Carlo simulations, eliminating also certain undesirable consequences of the application of the mean - field consistency equations. However, we haven\'t observed, at least in the models we have studied, a clear tendency of a reduction of the samplings (number of Monte Carlo steps) compared with computational simulations by other known methods. Also, our calculations point to great resemblances with usual results given by Bethe-Peierls approximations. To these problems, we must add the fact that there is no good explanation for the machinery of Netz and Berker\'s method, given the difficulty of studying the stochastic dynamics on wich is based.
160

Structure électronique des Cobaltates de Sodium NaxCoO2

Bourgeois, Antonin 26 September 2008 (has links) (PDF)
L'étude et la connaissance des propriétés électroniques des matériaux ne constituent pas seulement un enjeu technologique : il s'agit aussi d'un problème fondamental. Au delà des isolants et des métaux usuels, il existe des systèmes plus complexes dans lesquels même l'approximation du liquide de Fermi, pourtant fructueuse dans de nombreux cas, est mise en défaut par les fortes interactions.<br /><br />Le cas des premiers oxydes de métaux de transition, pour lesquels les orbitales de valence sont des orbitales 3d, est particulièrement intéressant. Le nombre quantique principal n = 3 est le plus faible autorisé pour la valeur l = 2 du nombre quantique angulaire : ainsi, étant déjà orthogonales aux autres orbitales par leur partie angulaire, les orbitales 3d n'ont pas besoin de noeuds dans leur partie radiale et sont donc assez localisées autour du noyau. La formation de bandes de conduction est possible (malgré le faible recouvrement direct entre orbitales 3d), mais en même temps les porteurs de charge sont soumis à de fortes interactions locales. A cause de ces corrélations, certains oxydes de métaux de transition (comme LaTiO3) sont isolants bien que leur bande 3d ne soit que partiellement remplie et qu'on attendrait donc une conductivité métallique. La localisation électronique peut aussi mener à la formation de moments magnétiques locaux, et l'interaction de ces derniers avec les porteurs de charge mobiles confère aux<br />Manganates leur propriété de magnéto-résistance géante. Enfin, on ne peut ne pas mentionner la célèbre famille des Cuprates CuO, pour lesquelles une supraconductivité haute Tc a été découverte en 1986.<br /><br />Parmi les oxydes de métaux de transition, les Cobaltates dopées au sodium NaxCoO2 suscitent elles aussi un grand intérêt. Leur fort pouvoir thermoélectrique associé à une faible résistivité suggère de possibles applications en réfrigération. Leur diagramme des phases fait apparaître la coexistence d'électrons de conduction et de moments magnétiques localisés, ainsi qu'une phase supraconductrice (ce sont donc les seuls oxydes de transition 3d supraconducteurs, avec les Cuprates et les Titanates). Comme dans les Cuprates, leur structure cristallographique est lamellaire et quasi-bidimensionnelle, mais contrairement à ces dernières où les Cu forment un réseau carré, les Co sont agencés en un réseau triangulaire susceptible de frustrer des interactions magnétiques. Malgré les nombreux travaux qui ont été consacrés à ces composés, la description de base de leur structure de bandes est sujette à controverse et les calculs “premiers principes” demeurent en désaccord avec les expériences de photoémission.<br /><br />Le travail présenté ici vise à obtenir un modèle effectif capable de prédire les bonnes excitations de basse énergie des Cobaltates de sodium. Après un chapitre d'introduction générale sur ces composés, j'exposerai les limites des calculs théoriques déjà effectués puis je décrirai la dérivation de notre modèle effectif avant de présenter les résultats obtenus. Des annexes seront<br />consacrées plus précisément aux méthodes théoriques discutées dans ce manuscrit.

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