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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.
1

Mecanique statistique et dynamique hors equilibre de systemes avec interactions a longue portee

Barré, Julien 08 July 2003 (has links) (PDF)
La présence d'interactions à longue portée induit des propriétés très particulières~: énergie non additive, dynamique cohérente à l'échelle du système entier... Ces propriétés spécifiques ne dépendent pas de la nature de l'interaction à longue portée, qui peut avoir une origine variée (gravitationnelle, Coulombienne non écrantée, interaction entre vortex en turbulence 2D, couplage ondes-particules...); le but de cette thèse est d'explorer l'universalité des comportements de ces systèmes avec interactions à longue portée. Nous partons donc de modèles jouets simples, pour dégager des méthodes et résultats généraux. Nous étudions d'abord la mécanique statistique d'équilibre, dont certaines anomalies sont connues~: chaleur specifique négative, ensembles statistiques inéquivalents par exemple. Nous montrons la présence de ces anomalies sur l'exemple d'un modèle de spins champ moyen exactement soluble, autour d'un point tricritique. Nous décrivons ensuite une méthode générale fondée sur la théorie des grandes déviations pour résoudre la mécanique statistique des systèmes à longue portée, dans les ensembles canonique et microcanonique, et nous l'appliquons à plusieurs systèmes dont la solution microcanonique était jusqu'ici inaccessible. A partir de ces résultats, nous classifions les différentes situations possibles d'inéquivalence entre les ensembles. Puis nous nous intéressons à la dynamique hors équilibre des systèmes avec interactions à longue portée~: nous étudions en détail un exemple de formation de structures, et nous présentons et illustrons un scénario général de la relaxation lente vers l'équilibre, fondé sur le lien étroit avec l'équation de Vlasov. Enfin, nous appliquons les idées et méthodes mises en évidence à un modèle simple de laser à électrons libres, ce qui fournit une approche originale, complémentaire à l'étude habituelle purement dynamique de ce type de lasers.
2

Simulações microcanônicas de proteínas / Microcanonical Simulations of Proteins

Frigori, Rafael Bertolini 21 December 2010 (has links)
Transições de fase termodinâmicas são usualmente estudadas por meio do ensemble canônico e estão associadas a sistemas macroscópicos. Entretanto, tem-se tornado cada vez mais frequente e importante o estudo de sistemas físicos pequenos, cujos alcances característicos das interações equivalem aos tamanhos dos sistemas. Nestes casos pode haver inequivalência entre grandezas físicas obtidas nos ensembles canônico e microcanônico. Encontramos inúmeros exemplos destes sistemas em diversas áreas da Física. Na área de matéria condensada temos, por exemplo, o modelo Blume-Capel com interações de alcance infinito. Neste modelo as soluções exatas canônica e microcanônica são inequivalentes. Este modelo é investigado nesta tese por meio de um ensemble interpolante, conhecido como gaussiano estendido, como uma aplicação teórica preliminar. Adicionalmente, empregamos o arcabouço mecânico-estatístico no estudo de certas biomoléculas com ampla importância biológica: proteínas. Atualmente o estudo do comportamento termodinâmico destas moléculas tem ficado restrito quase que exclusivamente a abordagem via ensemble canônico. Neste trabalho analisamos os resultados da etapa microcanônica de simulações multicanônicas procurando obter aspectos físicos de biomoléculas como os domínios Src SH3 (pdb: 1NLO) e as Príons humanas (pdb: 1HJM). Caracterizamos com esta abordagem as transições de fase de enovelamento e de agregação destes sistemas. Os resultados obtidos são interpretados à luz da termoestatística microcanônica, oferecendo um ponto de vista fenomenológico alternativo à abordagem usual. / Thermodynamic phase transitions are usualy studied by the canonical ensemble and they are associated to macroscopic systems. However, it is becoming more frequent and important the study of small physical systems: whose characteristic interaction-lengths are equivalent to system sizes. In these cases there can happen inequivalences among quantities computed im the canonical and microcanonical ensembles. There are inumerous examples of that systems in various areas of physics. In the field of condensed matter there is for instance the Blume-Capel model with infinite-range interactions. The canonical and microcanonical exact solutions of this model are inequivalents. That model is investigated on this thesis through an interpolating ensemble, known as the extended gaussian, as a preliminar theoretical application. Additionally, we have employed the statistic-mechanical framework to study some biomolecules of large biological interest: proteins. Nowadays the study of the thermodynamic behavior of that molecules has been restricted almost only to the canonical approach. However, in this work we have analysed by the microcanonical step of multicanonical simulations the physical aspects of biomolecules as the domain Src SH3 (pdb: 1NLO) and the human Prions (pdb: 1HJM). Thus, we characterize with this approach the phase transitions of folding and aggregation of that systems. The results obtained are interpretated under the light of the microcanonical thermostatistics, offering an alternative phenomenological viewpoint.
3

Simulações microcanônicas de proteínas / Microcanonical Simulations of Proteins

Rafael Bertolini Frigori 21 December 2010 (has links)
Transições de fase termodinâmicas são usualmente estudadas por meio do ensemble canônico e estão associadas a sistemas macroscópicos. Entretanto, tem-se tornado cada vez mais frequente e importante o estudo de sistemas físicos pequenos, cujos alcances característicos das interações equivalem aos tamanhos dos sistemas. Nestes casos pode haver inequivalência entre grandezas físicas obtidas nos ensembles canônico e microcanônico. Encontramos inúmeros exemplos destes sistemas em diversas áreas da Física. Na área de matéria condensada temos, por exemplo, o modelo Blume-Capel com interações de alcance infinito. Neste modelo as soluções exatas canônica e microcanônica são inequivalentes. Este modelo é investigado nesta tese por meio de um ensemble interpolante, conhecido como gaussiano estendido, como uma aplicação teórica preliminar. Adicionalmente, empregamos o arcabouço mecânico-estatístico no estudo de certas biomoléculas com ampla importância biológica: proteínas. Atualmente o estudo do comportamento termodinâmico destas moléculas tem ficado restrito quase que exclusivamente a abordagem via ensemble canônico. Neste trabalho analisamos os resultados da etapa microcanônica de simulações multicanônicas procurando obter aspectos físicos de biomoléculas como os domínios Src SH3 (pdb: 1NLO) e as Príons humanas (pdb: 1HJM). Caracterizamos com esta abordagem as transições de fase de enovelamento e de agregação destes sistemas. Os resultados obtidos são interpretados à luz da termoestatística microcanônica, oferecendo um ponto de vista fenomenológico alternativo à abordagem usual. / Thermodynamic phase transitions are usualy studied by the canonical ensemble and they are associated to macroscopic systems. However, it is becoming more frequent and important the study of small physical systems: whose characteristic interaction-lengths are equivalent to system sizes. In these cases there can happen inequivalences among quantities computed im the canonical and microcanonical ensembles. There are inumerous examples of that systems in various areas of physics. In the field of condensed matter there is for instance the Blume-Capel model with infinite-range interactions. The canonical and microcanonical exact solutions of this model are inequivalents. That model is investigated on this thesis through an interpolating ensemble, known as the extended gaussian, as a preliminar theoretical application. Additionally, we have employed the statistic-mechanical framework to study some biomolecules of large biological interest: proteins. Nowadays the study of the thermodynamic behavior of that molecules has been restricted almost only to the canonical approach. However, in this work we have analysed by the microcanonical step of multicanonical simulations the physical aspects of biomolecules as the domain Src SH3 (pdb: 1NLO) and the human Prions (pdb: 1HJM). Thus, we characterize with this approach the phase transitions of folding and aggregation of that systems. The results obtained are interpretated under the light of the microcanonical thermostatistics, offering an alternative phenomenological viewpoint.
4

Kvantová vakua, zakřivený prostoročas a singularity / Quantum vacua, curved spacetime and singularities

Kůs, Pavel January 2021 (has links)
In this work we investigate the Weyl anomaly from a new perspective. Our goal is to identify a set-up for which the classical Weyl symmetry is not broken, at the quantum level by the usual arguments related to the Euler invariants, but rather by the impact of other geometrical obstructions. Therefore, we work, mostly, in three spatiotemporal dimensions, where general arguments guarantee the absence of trace anomalies. In par- ticular, our interest here is on whether various types of singularities, emerging in the description of the differential geometry of surfaces, could induce some form of quantum inequivalence, even though the classical symmetry is at work. To this end, we work with a very special three-dimensional metric, whose nontriviality is fully in its spatial two-dimensional part. The last ingredient we use, to clean-up the way from other com- plications, is to work with physical systems where no Weyl gauge field is necessary, to have the classical invariance. The system we focus on is then the massless Dirac field the- ory (that, as well known, enjoys local Weyl symmetry) in three-dimensional conformally flat spacetimes. With these premises, the research programme consists of three steps. The first step is to find the coordinate transformations that link the conformal factor identifying the...

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