The bifunctional formalism presents an alternative how to obtain the functional value from its functional derivative by exploiting homogeneous density scaling. In the bifunctional formalism the density dependence of the functional derivative is suppressed. Consequently, those derivatives have to be treated as formal functional derivatives. For a pointwise correspondence between the true and the formal functional derivative, the bifunctional expression yields the same value as the density functional. Within the bifunctional formalismthe functional value can directly be obtained fromits derivative (while the functional itself remains unknown). Since functional derivatives are up to a constant uniquely defined, this approach allows for a pointwise comparison between approximate potentials and reference potentials. This aspect is especially important in the field of orbital-free density functional theory, where the burden is to approximate the kinetic energy. Since in the bifunctional approach the potential is approximated directly, full control is given over the latter, and consequently over the final electron densities obtained from variational procedure. Besides the bifunctional formalismitself another concept is introduced, dividing the total non-interacting kinetic energy into a known functional part and a remainder, called Pauli kinetic energy. Only the remainder requires further approximations. For practical purposes sufficiently accurate Pauli potentials for application on atoms, molecular and solid-state systems are presented.

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / In this study, using the Method of Characteristics and numeric resources, presents a solution to the equation Spectral Density Evolution of Turbulent Kinetic Energy for a Convective Boundary Layer (CBL) in the morning. It presents three models for the evolution of spectral energy density. The first model, based on the assumption of a system of isotropic turbulence, considering only terms of energy transfer inertial and viscous dissipation. The second model adds the term energy production due to the onset of action of the parameter of heat flux on the surface, but consider it a term of energy transfer inertial anisotropy. The third model employs a mixed configuration of the two previous models, assuming thus distinct regions of operation to inertial transfer terms. The results shaped the evolution of the CLC. In this case, the growth of the energy spectrum is modeled by inserting energy in the region of low wave numbers, a region in which the term of anisotropic energy transfer can not transfer the energy introduced by the energy production term. It is observed that in a region of wave number higher there is a stabilization of the parameter variation temporal on the plane characteristics curves (PCC), indicating that the variation of wave number govern the evolution of the energy spectrum. This fact establishes a kind of criterion for stationarity of turbulent flow regimes. / No presente trabalho, utilizando o Método das Característica e recursos numéricos, apresenta-se uma solução para a Equação de Evolução Espectral de Densidade de Energia Cinética Turbulenta para uma Camada Limite Convectiva (CLC) no período da manhã. Apresenta-se três modelos para a evolução espectral da densidade de energia. O primeiro modelo, baseado na suposição de um regime de turbulência isotrópica, considera apenas termos de transferência de energia inercial e de dissipação viscosa. O segundo modelo adiciona o termo de produção de energia devido o início da ação do parâmetro de fluxo de calor na superfície, porém considerá-se um termo de transferência de energia inercial anisotrópico. O terceiro modelo emprega uma configuração mista dos dois modelos anteriores, admitindo, desta forma, regiões distintas de atuação para os termos de transferência inercial. Os resultados obtidos modelaram a evolução da CLC. Neste caso, o crescimento do espectro de energia modelado se deu pela inserção de energia na região de baixos números de onda, região em que o termo de transferência de energia anisotrópico não consegue transferir a energia inserida pelo termo de produção de energia. Observa-se que em uma região de número de onda mais alto existe uma estabilização da variação do parâmetro temporal sobre as curvas características planas (CCP), indicando que a variação do número de onda governará a evolução do espectro de energia. Fato que estabelece um tipo de critério de estacionariedade para de regimes de escoamento turbulento.

Les rendements de fission sont des données importantes pour les applications nucléaires ainsi que pour les modèles théoriques qui cherchent à reproduire ces distributions. Les rendements des produits de fission légers pour de nombreux noyaux ont été mesurés par le passé sur le spectromètre Lohengrin. Mais la méthode expérimentale utilisée, détection par chambre à ionisation, ne permet pas la séparation des isotopes pour les produits de fission lourds. Pour valider la méthode dans cette région et compléter les bibliothèques, les rendements isobariques de l’235U(nth,f), du 239Pu(nth,f) et du 241Pu(nth,f) ont été mesurés. La mise en place d’un nouveau dispositif de détection gamma sur le spectromètre a permis de déterminer les rendements isotopiques du 239Pu(nth,f). De plus les distributions en charge ionique et en énergie cinétique des produits de fission ont été étudiées, et ont mis en évidence la présence d'isomères nanosecondes pour certains de ces noyaux. / In spite of the huge amount of fission yield data available in different libraries, more accurate values are still needed for nuclear energy applications and to improve our understanding of the fission process. Thus measurements of fission yields were performed at the mass spectrometer Lohengrin at the Institut Laue-Langevin in Grenoble, France. The mass separator Lohengrin is situated at the research reactor of the institute and permits the placement of an actinide layer in a high thermal neutron flux. It separates fragments according to their atomic mass, kinetic energy and ionic charge state by the action of magnetic and electric fields. Coupling with a high resolution ionization chamber the experiment was used to investigate the mass and isotopic yields in the light mass region. Almost all fission yields of isotopes from Th to Cf have been measured at Lohengrin with this method. It has been extended in this work to the heavy mass region for the reactions 235U(nth,f), 239Pu(nth,f) and 241Pu(nth,f). For these higher masses an isotopic separation is no longer possible. That is why a new method was undertaken with the reaction 239Pu(nth,f) to determine the isotopic yields by gamma spectrometry. During these experiments the ionic charge state and kinetic energy distributions have been measured. Nanosecond isomers have been discovered for some nuclei thanks to a non gaussian charge state distribution. The kinetic energy distributions present very interesting structures which have been also discussed.

Made available in DSpace on 2016-04-26T20:24:13Z (GMT). No. of bitstreams: 1 Mantovanni Colares Cavalcante.pdf: 1132580 bytes, checksum: e7dbe998a4f456037093139124a59c4a (MD5) Previous issue date: 2016-02-22 / The proposal of this thesis is to demonstrate that the effects attributed by the Supreme Court on judicial review can not be defined without proper bond with the previous steps to the judgment of the legal action; and this modulation, considered the technique to restrict the effects of the declaration of unconstitutionality, or determine that a statement only be valid from the final judgment, from decision or other time as may be fixed, and this effects are more relevant in relation to norm of tax law, because of weakening of judicial review in a special appeal, and the strengthening of abstract judicial review, which is the analysis of tax law without regard to the particular case. As a methodological option, the thesis covers the fields of Constitutional Law, Tax Law and Procedural Law, supported by legal texts and decisions of the Supreme Court, anchored in one of the elements of the Paulo de Barros Carvalho theory of tax law, and its construction within the jurisdiction, and Pontes de Miranda theory of preponderance of loads efficacy, in order to demonstrate that there is a specific efficacy in relation to the court decision, which is to procedural efficacy. From these premises, the thesis contains a defense that modulation is the result of a link between the nature of the legal action and its efficacy from the force generated by procedural technique of kinetic energy. In the end, we present suggestions that the modulation could not be an isolated act in the judgment of Supreme Court, on the constitutionality control, with suggestion's split into three guidelines, to serve as parameters in the use of modulation, from the most rigorous, and through a median suggestion, to arrive at a proposal to set minimum procedural standards / A proposta da presente tese consiste em demonstrar que os efeitos atribuídos pelo Supremo Tribunal Federal no controle de constitucionalidade não podem ser definidos sem o devido vínculo com as etapas anteriores ao julgamento da ação direta de inconstitucionalidade; e essa modulação, tida como a técnica de restringir os efeitos da declaração de inconstitucionalidade, ou de determinar que tal declaração só tenha validade a partir do trânsito em julgado, da decisão ou de outro momento que venha a ser fixado, se mostra mais relevante em relação à norma tributária, por causa do enfraquecimento do controle de constitucionalidade realizado em recurso extraordinário, e do fortalecimento do controle abstrato de constitucionalidade, em que se tem a análise da norma tributária independentemente da existência de caso concreto. Como opção metodológica, a tese percorre os caminhos do Direito Constitucional, do Direito Tributário e do Direito Processual, tendo como suporte textos jurídicos e decisões do Supremo Tribunal Federal, ancorada em um dos elementos da teoria da norma tributária de Paulo de Barros Carvalho, qual seja, o da sua construção no âmbito da jurisdição, e na teoria da preponderância das cargas de eficácia de Pontes de Miranda, a fim de demonstrar que existe uma eficácia específica em relação à decisão judicial, que é a eficácia processual. A partir dessas premissas, faz-se a defesa de que a modulação é consequência de um vínculo existente entre a natureza da ação e a eficácia respectiva, a partir da força gerada pela técnica processual da energia cinética. No final, apresentam-se sugestões para que essa modulação não continue a ser um ato isolado e posterior ao julgamento elaborado pelo Supremo Tribunal Federal no controle de constitucionalidade, desdobradas em três diretrizes, a servir de parâmetros no uso da modulação, desde a mais rigorosa, passando por uma sugestão mediana, até se chegar a uma proposta de fixação de mínimos critérios procedimentais

<p>Theoretical investigations of spectroscopic and magnetic properties of metallic systems in the bulk, as well as in nanostructured materials, have been performed within the density functional theory. The major part of the present work studies the differences between binding energies of electrons tightly bound to the atoms, the so-called core electrons (in contrast with the valence electrons), that is, core-level binding energy shift (CLS). </p><p>By comparison between corresponding elemental core-levels for atoms situated in different chemical environments we obtain fundamental understanding of bonding properties of materials. The method of choice was the complete screening picture, which includes initial and final state effects on the same footing. The usefulness of CLS stems from that it is sensitive to differences in the chemical environment of an atom, which can be affected on one hand by the global composition of e.g. disordered materials, surfaces and interfaces, and on the other hand by the very local environment around an atom. Here CLSs have been obtained for both components in the fcc random alloys AgPd, CuPd, CuNi, CuPt, CuAu, PdAu, NiPd and NiPt. Moreover the model was extended to the Auger kinetic energy shift for the LMM Auger transition in AgPd alloys. Studies were also applied to the near surface and interface regions of PdMn nano structures on Pd(100), thin CuPd and AgPd films on inert Ru(0001), and at interfaces. The disorder broadening on CLS due to local environment effects was calculated in selected alloys.</p><p>A part of the thesis concern investigations related to the magnetic ordering in Invar alloys, including the influence of local environment effects. A study was made for the dependence of effective exchange parameter on the electron concentration, volume and local chemical composition.</p>

Theoretical investigations of spectroscopic and magnetic properties of metallic systems in the bulk, as well as in nanostructured materials, have been performed within the density functional theory. The major part of the present work studies the differences between binding energies of electrons tightly bound to the atoms, the so-called core electrons (in contrast with the valence electrons), that is, core-level binding energy shift (CLS). By comparison between corresponding elemental core-levels for atoms situated in different chemical environments we obtain fundamental understanding of bonding properties of materials. The method of choice was the complete screening picture, which includes initial and final state effects on the same footing. The usefulness of CLS stems from that it is sensitive to differences in the chemical environment of an atom, which can be affected on one hand by the global composition of e.g. disordered materials, surfaces and interfaces, and on the other hand by the very local environment around an atom. Here CLSs have been obtained for both components in the fcc random alloys AgPd, CuPd, CuNi, CuPt, CuAu, PdAu, NiPd and NiPt. Moreover the model was extended to the Auger kinetic energy shift for the LMM Auger transition in AgPd alloys. Studies were also applied to the near surface and interface regions of PdMn nano structures on Pd(100), thin CuPd and AgPd films on inert Ru(0001), and at interfaces. The disorder broadening on CLS due to local environment effects was calculated in selected alloys. A part of the thesis concern investigations related to the magnetic ordering in Invar alloys, including the influence of local environment effects. A study was made for the dependence of effective exchange parameter on the electron concentration, volume and local chemical composition.

Coastal zones are governed by physical forces originating from tidal currents, waves, winds and night convection, amongst others, and are characterized by the presence of canopy meadows. This thesis studies the hydrodynamic in a fluid dominated by: nearly isotropic turbulence, progressive waves and breaking waves in different canopy models. Under nearly isotropic turbulence sheltering is enhanced by a reduction in the plant-to-plant distance. Under progressive waves sheltering is associated with the reduction of wave velocity at the top of submerged rigid canopy. Sheltering observed in the submerged flexible model is caused by blade movement which absorbes the energy. Emergent rigid vegetation shows sheltering. On the other hand, for some specific progressive wave conditions and plant densities and under a fluid dominated by breaking waves, turbulence increases within the meadow if Reynolds number, based on wave velocity, is larger than 300 / Les zones costeres estan governades per forces físiques originades per la marea, l’onatge, i la convecció nocturna, entre d’altres, i caracteritzades per la presència de plantes aquàtiques. Aquesta tesi té per objectiu estudiar la hidrodinàmica d’un fluid dominat per: turbulència quasi-isotròpica, onades progressives i onades trencants en diferents models de vegetació. En un fluid dominat per turbulència isotròpica, la reducció de la turbulència augmenta al reduir la distància entre plantes. En un fluid dominat per onades progressives, la disminució de la turbulència està associada a la reducció de la velocitat d’onada al cim de la vegetació. Aquesta reducció s’observa en plantes submergides flexibles degut a que el moviment de les plantes absorbeix l’energia. La vegetació emergent també redueix la turbulència. Per condicions específiques d’onades progressives i densitat de plantes i sota un fluid dominat per onades trencants, la turbulència incrementa si el número de Reynolds és més gran que 300

In der vorliegenden Arbeit wird die Entwicklung eines kinetischen Energy Harvesters vorgestellt, der auf Grundlage des elektrostatischen Wandlerprinzips aus Vibrationen elektrische Energie generiert. Für die Umsetzung wurde eine Siliziummikrostruktur entworfen, die für Arbeitsfrequenzen unter 100 Hz ausgelegt ist. Die Zahnstruktur der verwendeten Elektroden ermöglicht Spaltabstände im Submikrometerbereich und folglich große Kapazitätsänderungen, die durch die Elektrodengeometrie zusätzlich mit einer höheren Frequenz als die mechanische Bewegung stattfinden. Vergleichsweise große Leistungsausbeuten und geringe Quellimpedanzen sind dadurch erreichbar. Die geometrischen Parameter der Elektroden wurden unter Berücksichtigung der auftretenden Fertigungstoleranzen und Wechselwirkungen zueinander optimiert. Für die Ausnutzung einer ausreichend großen Inertialmasse wurde ein feinwerktechnisch hergestellter Hebelmechanismus an die Mikrostruktur angekoppelt. Über diesen wird zusätzlich ein neuer Ansatz zur Abstimmung der Eigenfrequenz des Harvesters umgesetzt. Experimentelle Untersuchungen zeigten Ausgangsleistungen im einstelligen Mikrowattbereich bei Anregungen im Zehntel m/s²-Bereich. Durch fortschreitende Optimierungen der Fertigungstechnologie sind noch deutliche Leistungssteigerungen um mindestens zwei Größenordnungen möglich. Weiterhin wird ein Energiemanagementsystem vorgestellt, welches die effiziente Übertragung der Energie auf den Verbraucher ermöglicht. / In this work the development of a kinetic energy harvester using the electrostatic conversion principle is presented. The silicon microstructure is designed to work in frequency ranges below 100Hz. Its toothed electrode structure enables gap distances in the sub micrometer range and consequently high changes of capacitance. Additionally, due to the electrode geometry the frequency of the capacitance changes is higher then the frequency of the mechanical movement. Thus high power outputs and low source impedances can be reached. The electrodes geometric parameters were optimized considering manufacturing tolerances and interactions of the parameters. To reach a sufficient inertial mass, a lever mechanism manufactured by precision engineering was connected to the microstructure. This mechanism also allows the implementation of a new method of frequency tuning. In experimental tests power outputs in the single digit microwatt range under excitations of 0.3 m/s² were reached. In accordance of further optimizations of the manufacturing technology significantly higher outputs, by at least two orders of magnitude, are possible,. Furthermore an energy management system is presented, that allows the efficient transfer of the electrical energy to the consumer.

L'Océan Austral est une zone clef pour la circulation océanique tant à cause de l'intensité du courant circumpolaire antarctique qu'en tant que région de formation des masses d'eaux abyssales de l'océan global. Pour modéliser l'océan et prévoir les changements climatiques futurs, il est important de comprendre les processus de mélange diapycnal qui lient ces eaux abyssales aux couches supérieures. Dans l'Océan Austral, des courants profonds et intenses s'écoulent sur une topographie accidentée, ce qui génère des ondes internes de relief très énergétiques. Actuellement, la dissipation de l'énergie induite par ces ondes de relief est la candidate principale pour expliquer les forts taux de mélange observés à ces latitudes. L'objet du présent travail de thèse est de comprendre comment les ondes internes de relief sont dissipées et affectent la circulation et le mélange diapycnal dans l'océan abyssal. Nous examinons l'impact de ces ondes sur le mélange profond au moyen d'une combinaison d'expertise de terrain, de simulations non hydrostatiques bi-dimensionnelles et de calculs théoriques. Sur la gamme de paramètres étudiés, nous montrons, en présence des ondes de relief, une intensification du taux de dissipation d'énergie cinétique turbulente sur une profondeur de 1000 m au-dessus de la topographie, atteignant typiquement ~20 mW/m2. Nous montrons également comment les ondes participent à des interactions triadiques impliquant des oscillations inertielles qui sont amplifiées par intéractions résonantes contrôlées par les ondes de relief. Finalement, nous préparons de futures études tri-dimensionnelles en concevant un cadre numérique et en décrivant des outils théoriques adaptés à ce problème. Nos résultats préliminaires en trois dimensions montrent qui le confinement méridien de la topographie réduit significativement l'émissions d'ondes internes de relief. / The Southern Ocean plays a key role in global ocean circulation by connecting the major ocean basins with the intense Antarctic Circumpolar Current and as a formation region for abyssal water masses of the global ocean. Understanding the diapycnal mixing processes that link these abyssal waters to the overlying layers is essential both for ocean modelling and for predicting future climate change. In the Southern Ocean, deep reaching currents impinge on rough topography and create highly energetic internal lee waves. The dissipation of the energy of these internal lee waves is the main candidate for explaining the high mixing rates between waters of different densities observed at these latitudes. The purpose of this study is to understand the fate of the internal lee wave energy and how it affects the circulation and diapycnal mixing in the abyssal ocean. We first study the impact of internal lee waves on deep mixing with the combination of field expertise, two-dimensional non hydrostatic numerical simulations and theoretical developments. Over the range of parameters studied, an enhanced bottom turbulent kinetic energy dissipation is observed in the bottom 1000 m, typically reaching $sim$ 20 mW.m$^{-2}$. We further show that internal lee waves undergo non-dissipative wave-wave interactions that can be rationalized as resonant triad interactions between the bottom emitted internal lee waves, inertial oscillations and linear combinations of these two waves. We then build a three-dimensional model configuration and specific diagnostic methods that pave the way for future investigations in three dimensions. Preliminary results with the three-dimensional numerical configuration show that the meridional confinement of the topography notably reduces the emission of internal lee waves.

The dynamics captured in the ocean surface current data provided by satellite altimetry has been a subject of debate since the past decade. In particular, the contribution of surface and interior dynamics to altimetry remains unclear. One avenue to settling this issue is to compare the turbulence (for example, the nature of spectra and interscale fluxes) captured by altimetry to theories of two-dimensional, surface and interior quasigeostrophic turbulence. In this thesis, we focus on mesoscales (i.e., scales of the order of few hundred kms) that are well resolved by altimetry data. Aspects of two dimensional, three dimensional, geotropic and surface quasigeostrophic turbulence are revisited and compared with the observations. Specifically, we compute kinetic energy (KE) spectra and fluxes in five geographical regions (all over the globe) using 21 years of 0.25◦resolution daily data as provided by the AVISO project. We report a strong forward cascade of KE at small scales (accompanied by a spectral scaling of the form k−3) and a robust inverse cascade at larger scales. Further, we show that the small diver-gent part in horizontal velocity data drives the strong forward flux of KE. Indeed, on considering only the non-divergent part of the flow, in accord with incompressible two-dimensional turbulence, the inverse cascade is unaffected, but the forward transfer becomes very weak and the spectral slopes over this range of scales tend to a relatively steeper k−3.5scaling. We note that our results do not agree with interior first bar clinic mode quasigeostrophic (incorrect strength of forward flux) or surface-quasigeostrophic (incorrect spectral slopes) turbulence. Rather, the results are compatible with rotating shallow water and rotating stratified Boussinesq models in which condition of geostrophic balance is dominant but the divergence of horizontal velocity field is not exactly zero. Having seen the “mean” picture of fluxes and spectra from altimetry, in the second part of the thesis we investigate the variability of these entities. In particular, we employ Empirical Or-thogonal Function (EOF) analysis and focus on the variability in the spectral flux. Remarkably, over the entire globe, irrespective of the region under consideration, we see that the first two EOFs explain a large part of the variability in flux anomalies. The geometry of these modes is distinct, the first represents a single signed transfer across scales (i.e. large to small or small to large depending on the sign of the associated principal component), while the second is a mixed mode in that it exhibits a forward/inverse transfer at large/small scales.