Made available in DSpace on 2016-04-26T20:24:04Z (GMT). No. of bitstreams: 1 Danilo Fontenele Sampaio Cunha.pdf: 3140013 bytes, checksum: 6f2578bd5ed90f9c088944cd6caadc62 (MD5) Previous issue date: 2015-11-30 / It is argued that understanding the sense of law must be made with an emphasis on discursive inclusiveness and overcome the functionalist paradigms and utilities, aiming to capture the sense of the law through the sense of fair. New view of such phenomenon is suggested, using metaphor created based on the quantum string theory, emphasizing the intimate character of the judge and the weaving of their social bonds. It is stated that the sense of the law is preceded and consists of a sense of fair that precedes and accompanies, presented here in the form of vibrating triple helical helix composed of consciousness, sensitivity and interpretation of the rules and activated by the agent's will constituted by the culture, ethics and interests, according to their freedom and dreams. It is proposed, therefore, to redefine judicial practices in the pursuit of happiness, freedom and equality, overcoming the mere rationalization of the convictions of the judge or of normative guidelines through the use of what we call exlética topical, with the objective of close as possible to the right applicable to the case. It is proposed to finish the resumption of topical sensitivity and poetic in the dynamic conception of the feeling of the fair as a way to reach to human and humane effectuation of the law / Defende-se a ideia de que a compreensão do sentido do Direito deve ser feita com ênfase na inclusividade discursiva e na superação dos paradigmas funcionalistas e utilitários, visando a captar o sentido do Direito mediante a concepção do sentimento do justo. Nova visão de tal fenômeno é sugerida, com utilização de metáfora criada com base na Teoria Quântica das Cordas, enfatizando os caracteres mais íntimos do julgador e a tecedura de seus vínculos sociais. Indica-se que o sentido do Direito é antecedido e composto por um sentimento do justo que o precede e acompanha, aqui denotado na forma de tríplice hélice vibrátil, composta de consciência, sensibilidade e interpretação das normas, bem como ativada pela vontade do agente, constituída pela cultura, ética e interesses, e de acordo com sua liberdade e sonhos. Propõe-se, com efeito, a redefinição de práticas judiciais, na busca da felicidade, liberdade e igualdade, pela superação da mera racionalização das convicções do julgador ou das orientações normativas, mediante a utilização do que se chama de tópica exlética, com o objetivo de aproximar-se o mais possível do justo aplicável ao caso concreto. Sugere-se, ao fim, a retomada da sensibilidade tópica e da poética na concepção dinâmica do sentimento do justo como maneira de se alcançar a efetivação humana e humanitária do Direito

Introdução: As lesões contusas de artérias carótidas e vertebrais (LCCV) não são muito frequentes, porém podem apresentar repercussões graves. A incidência desse tipo de lesão é difícil de ser avaliada porque os doentes podem estar neurologicamente assintomáticos quando atendidos no pronto socorro ou podem apresentar sintomas que são atribuídos ao trauma de crânio ou a outras lesões associadas. Estatísticas recentes apontam uma incidência de 0,24% a 0,33% em doentes traumatizados portadores de algum sintoma neurológico. No Brasil não existem trabalhos de nosso conhecimento que tenham estudado a incidência das LCCV. Por outro lado, a real morbidade e mortalidade das LCCV não estão claramente determinadas, nem mesmo na literatura internacional. Os objetivos deste estudo foram: a) avaliar a incidência de LCCV em 100 doentes vítimas de trauma contuso submetidos à angiotomografia cervical, utilizando parâmetros obtidos da avaliação clínica inicial e das tomografias de crânio e da região cervical e b) verificar quais os critérios de indicação da angiotomografia cervical que mais se correlacionam com a presença de LCCV no serviço de trauma de hospital quaternário brasileiro. Material e Método: Durante o período de trinta meses a partir de julho de 2006, todos os doentes admitidos no Pronto-Socorro do Hospital das Clínicas da Faculdade de Medicina da Universidade de São Paulo, com trauma cervical fechado, com potencial risco de lesão dos vasos cervicais apresentando défice neurológico não justificado pela tomografia computadorizada de crânio, infarto cerebral, hematoma cervical estável, epistaxe volumosa, anisocoria/sinal de Horner, escore na escala de coma de Glasgow abaixo de 8 sem achados justificativos pela tomografia, fratura de coluna cervical, fratura de base de crânio, fratura de face (Le Forte II ou III), sinal do cinto de segurança acima da clavícula, frêmito ou sopro cervical, foram incluídos no estudo. Os doentes foram encaminhados para a angiotomografia cervical para diagnóstico das LCCV. Foram analisados também mecanismo de trauma, sexo, idade, gravidade do trauma, gravidade das LCCV, tipo de tratamento e evolução. Os doentes foram divididos em dois grupos: sem LCCV (Grupo I) e com LCCV (Grupo II). Os dados analisados são apresentados como média e desvio padrão da média e as análises estatísticas foram realizadas com os testes de Qui-Quadrado e Exato de Fisher, e o teste de Mann-Whitney. Foi usado um nível de significância de 5% (p-valor <=0,05). Resultado: Foram atendidos 2.467 doentes vítimas de trauma contuso. Em 100 doentes que apresentaram critérios para inclusão, no estudo a angiotomografia identificou 23 com LCCV, 17 do sexo masculino e 6 do sexo feminino. A idade média foi de 34,81±14,84 anos. Colisão de auto (49%) e atropelamento (24%) foram os mecanismos de trauma mais frequentes seguidos de queda de grande altura (18%), e outros mecanismos (9%). Dez doentes tiveram lesão de carótida interna, 2 doentes com lesão de carótida comum, onze doentes com lesão de vertebral. Sete doentes apresentaram lesão arterial grau I, 10 grau II, 4 grau IV e I grau V e uma fístula de carótida. Sete (30,4%) dos 23 doentes com LCCV apresentavam fratura de vértebras cervicais e 11 (47,8%) apresentavam fratura de face (LeFort II e III). Dezessete doentes foram tratados clinicamente e seis doentes foram submetidos a tratamento endovascular (um stent e cinco embolizações). Conclusão: Os critérios utilizados neste estudo permitiram o diagnóstico de LCCV em 0,93% dos casos, sendo que tais lesões ocorreram nos traumatizados mais graves, e não influenciaram a morte na população estudada / Background: Blunt trauma of the carotid and vertebral arteries (LCCV) are infrequent, but may have serious repercussions. The incidence of this type of injury is difficult to evaluate as many patients are neurologically asymptomatic when assisted in emergency rooms, or with symptoms attributed to cranium trauma or to other associated injuries. Recent statistical data show an incidence of 0.24% to 0.33% traumatized patients that carry some neurological symptom, we are not aware of any papers in Brazil that have studied the occurrence of LCCV. On the other hand, the real morbidity and mortality are not clearly determined, not even in the international literature. The objectives of the current study were: a) to evaluate the incidence of carotid and vertebral artery injuries in 100 patients with blunt trauma subjected to cervical angiography, using parameters obtained from the initial clinical evaluation and tomography of the patients and b) to verify which criteria for recommending cervical angiography are most related to the presence of LCCV in the trauma services section in a Brazilian quaternary care hospital. Method: During thirty months, starting in July 2006, all patients admitted in the emergency room of Hospital das Clínicas da Faculdade de Medicina da Universidade de São Paulo, with blunt cervical trauma, with potential risk of injuries to cervical vessels that presented neurological deficit unexplained after cranial CT scan, cerebral infarction, stable cervical haematomas, severe epistaxis, anisocoria/sign of Horner`s syndrome, Glasgow coma scores bellow 8 that are not explained by CT scan, cervical spine fracture, basilar skull fracture, facial fracture (Le Forte II or III), seatbelt signals above the clavicle, cervical hum or bruit were included in the study. The patients were subjected to cervical angiography in order to diagnose LCCV. There were analyzed the mechanisms of injuries, gender, age, severity of LCCV, type of treatment and outcome. The patients were divided into two groups: without LCCV (Group I) and with LCCV (Group II). The data analyzed are presented as mean minus standard deviation and the statistical analyzes were done using Chi-square and Fisher`s exact tests, and the Mann-Whitney test. For date comparison, a p-value <=0,05 was considered significant. Results: 2.467 patients, victims of blunt trauma, were included in the study. In 100 patients that presented the criteria for the inclusion in the study, the angiography identified 23 with LCCV, 17 male and 6 female. The mean age was 34,81±14,84 years. Car crash (49%) and car-pedestrian accidents (24%) were the most frequent mechanisms of injury, followed by falling from altitude (18%), and other mechanisms (9%). Ten patients suffered internal carotid artery injury, 2 patients with common carotid artery injury, and eleven patients with vertebral artery injury. Seven patients presented arterial injury level I, 10 level II, 4 level IV and 1 level V and one carotid fistula. Seven (30,4%) out of the 23 patients with LCCV presented cervical vertebrae fractures and 11 (47,8%) presented facial fracture (LeFort II e III). Seventeen patients were treated clinically and six underwent endovascular treatment (one stent and five embolizations). Conclusion: The criteria used in this study have allowed the diagnosis of LCCV in 0,93% of the cases, those being such injuries that occurred in the most seriously traumatized patients, and did not lead to death in the studied population.

A utilização de estacas helicoidais como fundação de linhas de transmissão de energia elétrica tem aumentando significativamente no Brasil. No entanto, em alguns casos de obra, a camada de solo adequada para se instalarem as hélices da estaca encontra-se em profundidade economicamente inviável para o uso deste tipo de fundação. Esta foi a razão que motivou a presente pesquisa, que tem como objetivo avaliar soluções para a instalação de estacas helicoidais mais curtas, ancoradas em solo de capacidade inferior à necessária para atender às cargas de projeto. Nesta dissertação, foram avaliadas duas soluções alternativas para o aumento de capacidade de carga de fundações por estacas helicoidais, para os casos de carregamento de tração e compressão. A primeira alternativa verificada foi a injeção de calda de cimento em torno das hélices da ponta da estaca. A segunda solução testada foi o preenchimento com argamassa em torno da haste da estaca acima das hélices. Foram realizadas na presente pesquisa nove provas de carga (cinco de tração e quatro de compressão): três em estacas helicoidais convencionais, quatro em estacas helicoidais com injeção de calda de cimento e duas em estacas helicoidais com fuste de argamassa. Após a realização de provas de carga nas estacas, estas foram exumadas para se verificar a forma da coluna de argamassa e as formas de bulbos resultantes das injeções realizadas com calda de cimento. A partir dos resultados dos ensaios, foi verificado que a capacidade de carga da estaca á tração pode ser aumentada usando-se as alternativas testadas. Porém, são necessários mais ensaios para avaliar a eficiência destes procedimentos em diferentes condições de solo e configuração de estacas. / The use of helical piles as foundation for transmission lines has increased significantly in Brazil. However, in some sites, the soil layer suitable for installing the pile helices are considerably deep and it is economically unviable to use this type of foundation. This reason motivated the current study, which aims to evaluate solutions for the installation of helical piles anchored in soil with low capacity. In this research, it was evaluated two alternative solutions to improve the helical pile capacity. The first alternative is injecting a water/ cement mixture which is delivered to the ground throught holes, placed between the upper and bottom helices. The second alternative solution is helical piles with a mortar shaft. Nine pile load tests were performed for the present investigation (five in tension and four in compression): three on conventional helical piles, four on helical piles with injection, and two on helical piles with mortar shaft. After that, the helical piles were exhumed for the verification of the shaft shape and the forms of the bulbs resulting from injections performed with cement mixture. The results of these tests indicated that the uplift capacity of helical piles can be increased by using the alternatives tested. However, more tests are needed to evaluate the effectiveness of these procedures, in different soil conditions and pile configurations.

Au cours de ces dernières années, les communications sans fil connaissent une croissance vertigineuse, avec le développement de standards de communication de plus en plus nombreux, qui ouvrent la voie à de multiples applications telles que : la téléphonie mobile, le biomédical, le maritime, le civil et le militaire. De nos jours, les communications sans fil se sont diversifiées et multipliées. Cela entraîne la conception d’antennes toujours plus innovantes, performantes et de taille de plus en plus réduite (miniaturisation). Le projet FLEXBEA (FLEXible BEAcon) a pour but le développement d’un nouveau concept de balises de détresse miniatures (AIS et COSPAS-SARSAT), faible coût, intégrées dans des équipements de sécurité maritime tels qu’un radeau de survie et un gilet de sauvetage. Ces équipements sont destinés aux professionnels de la mer et aux plaisanciers. L’atout majeur de ce nouveau concept est l’intégration dans des équipements de sécurité maritime d’une fonction de détresse en cas de problème majeur : homme à la mer (MOB, Man OverBoard) par exemple lors d’un naufrage. Différentes antennes ont été étudiées. Nous présentons des antennes planaires (de type dipôle ou monopôle imprimé) développées dans la bande UHF : une solution de dipôle avec brins repliés est proposée afin de réduire l'encombrement, et deux modes d'alimentation (symétrique / dissymétrique) sont comparés. Des exemples d'antenne monopôle sont ensuite présentés avec une modification de leur géométrie (structures de type Bow-tie ou méandre) pour assurer une miniaturisation optimale. Puis les antennes filaires retenues pour le projet, avec une modélisation de ces antennes par un circuit équivalent (RLC). Des formules analytiques sont proposées afin de déterminer les valeurs de composants RLC qui interviennent dans le modèle circuit. Ensuite, nous sommes passés à la conception de l’antenne de la balise. Deux antennes ont été conçues et mesurées. Un monopôle ruban avec introduction de composants localisés pour la balise AIS et COSPAS-SARSAT, et une antenne hélice fonctionnant dans la bande AIS, intégrée dans la balise "SIMY". De nombreuses réalisations et mesures ont été effectuées pour caractériser ses antennes. / Over the last few years, wireless communications have grown dramatically, with the development of more and more communication standards, which open the way to multiple applications such as: mobile telephony, biomedical, maritime, the civilian and the military. Today, wireless communications have diversified and multiplied. This leads to the design of antennas that are always more innovative, more efficient and smaller in size (miniaturization). The FLEXBEA project (FLEXible BEAcon) aims to develop a new concept of low cost miniature distress beacons (AIS and COSPAS-SARSAT) integrated into marine safety equipment such as a life raft and a lifejacket safety. This equipment is intended for professionals of the sea and boaters. The main advantage of this new concept is the integration in maritime safety equipment of a distress function in case of major problem: man overboard (MOB, Man OverBoard) for example during a shipwreck. Different antennas have been studied. We present planar antennas (dipole type or printed monopoly) developed in the UHF band: a dipole solution with folded strands is proposed to reduce the bulk, and two modes of supply (symmetrical / asymmetrical) are compared. Examples of monopole antennas are then presented with a modification of their geometry (Bow-tie or meander type structures) to ensure optimal miniaturization. Then the wired antennas selected for the project, with a modeling of these antennas by an equivalent circuit (RLC). Analytical formulas are proposed to determine the RLC component values ​​involved in the circuit model. Then we went to the design of the beacon antenna. Two antennas were designed and measured. A ribbon monopoly with introduction of localized components for the AIS and COSPAS-SARSAT beacon, and a helix antenna operating in the AIS band, integrated into the "SIMY" beacon. Many achievements and measurements have been made to characterize its antennas.

Les organismes vivants produisent des peptides antimicrobiens (PAMs) pour se protéger contre les microbes. La résistance croissante aux antibiotiques nécessite le développement de nouvelles stratégies thérapeutiques et les PAMs sont des candidats prometteurs pour résoudre ce problème. Ils possèdent une activité à large spectre et leur principal mécanisme d'action par perméation de la membrane engendre peu de phénomènes de résistance. Néanmoins, leur faible biodisponibilité empêche leur utilisation. Certaines limitations peuvent être surmontées en développant des mîmes de PAMs qui conservent leur activité mais avec un potentiel thérapeutique accru. Les peptoïdes (oligomères de N-alkylglycine) structurés en hélice cationique amphiphile sont de bons mimes de PAMs. Les peptoïdes sont plus flexibles que les peptides en raison de l'isomérie cis/trans des amides N,N-disubstitués ; cependant la conformation des amides peut être contrôlée par un choix judicieux des chaînes latérales. Le but de cette thèse est d'étudier l'influence de chaînes latérales(hydrophobes ou cationiques) bloquant la conformation des amides en cis et induisant une structure hélicoïdale de type PolyProline I (PPI) robuste, sur l’activité antibactérienne et la sélectivité de peptoïdes. La conception, la synthèse et l’étude conformationnelle de nouveaux oligomères peptoïdes cationiques portant des chaînes latérales de type tert-butyle et/ou triazolium ont été réalisées. Dans un premier temps, la synthèse en solution d'oligomères à base de tert-butyle a été développée puis une stratégie de synthèse en phase solide a été mise en place pour accéder aux oligomères à base de 1,2,3-triazolium. Ensuite, ces nouveaux oligomères ont été évalués pour leur activité vis à vis d’un panel de bactéries Gram-positive et Gram-négative, leur l'activité antibiofilm et leur sélectivité cellulaire. Enfin, pour visualiser les effets des peptoïdes amphiphiles sur les bactéries, une étude de microscopie a été réalisée. / Living organisms produce antimicrobial peptides (AMPs) to protect themselves against microbes.The growing problem of antimicrobial resistance calls for new therapeutic strategies and the natural AMPs have shown ground-breaking potential to address that issue. They show broad-spectrum activity and their main mechanism of action by bacterial cell membrane disruption implies low emergence of resistance which makes them potent candidates for replacing conventional antibiotics. Nevertheless, few hurdles are impeding their use, notably poor bioavailability profile. Some of these limitations can be overcome by developing peptidomimetics of AMPs which exhibit antibacterial activities together with enhanced therapeutic potential. Peptoids (i.e. N-alkyl glycine oligomers) adopting cationic amphipathic helical structures are mostly competent AMP mimetics. From a conformational point of view, peptoids are fundamentally more flexible than peptides primarily due to the cis/trans isomerism of N,N-disubstituted amides but studies in this area have shown that cis amide conformation can be controlled by careful choice of side-chain to set a PolyProline I-type helical structure of peptoids. In this thesis, the genesis of novel amphipathic cationic peptoids carrying cis-directing tert-butyl and/or triazolium-type side-chains and their untapped potential to act against bacteria will be discussed comprehensively. First, the solutionphase synthesis of tert-butyl-based oligomers was developed. Second, novel method of solid-phase submonomer synthesis was optimised to access 1,2,3-triazolium-based oligomers. Then, the synthesised cationic oligomers were evaluated for their antibacterial potential, followed by antibiofilm activity and cell selectivity assays. In the end, to have insights on the mode of action of amphipathic peptoids, microscopy was carried out.

Este trabalho utiliza a técnica de modelagem de sistemas multicorpos para analisar o comportamento dinâmico de um vagão ferroviário de carga, trafegando sobre via tangente com desnivelamento transversal periódico. O estudo exibe a modelagem dos principais vínculos deste sistema, como o contato entre o prato e o pião, molas helicoidais e sistema de amortecimento de atrito seco da suspensão primária. A modelagem do contato entre o prato e o pião sugerida, é baseada em um modelo de elastic foundation, e utiliza a característica geométrica dos corpos em contato. O modelo dinâmico de atrito desenvolvido possui atuação bidirecional, sendo utilizado nos elementos dissipativos da suspensão. A matriz de rigidez das molas helicoidais da suspensão primária é obtida utilizando o Triedro de Frenet-Serret e o Segundo Teorema de Castigliano. O modelo matemático, confeccionado com a ferramenta de modelagem ADAMS/Rail, é composto por 90 corpos rígidos e uma caixa flexível e possui 210 graus de liberdade. A comparação dos resultados obtidos na identificação modal experimental e nas análises do modelo comprovou que as hipóteses adotadas na modelagem são aceitáveis, reforçando a utilização dos modelos multicorpos na análise dinâmica do veículo guiado. A variação da velocidade de tráfego do veículo, sobre diferentes comprimentos de irregularidade da via, proporcionou os resultados para confecção dos mapas de resposta dinâmica. Esses mapas foram traçados para o ângulo rolagem, alívio das forças no contato roda-trilho e razão L/V no rodeiro de ataque, e identificaram as regiões mais sensíveis para a rolagem harmônica. A rolagem e torção da caixa foram identificados como os movimentos principais do veículo, quando em tráfego em via com desnivelamento transversal periódico. O conjunto de prato e pião gasto aumentou a faixa de velocidade indicada como crítica para a rolagem, piorando os resultados para velocidades mais baixas. O aumento do amortecimento da suspensão primária, por meio da inclinação do lenoir link, diminuiu os valores de rolagem e do alívio em comparação ao caso nominal. A utilização do ampara-balaço de contato constante propiciou a diminuição do ângulo de rolagem, alívio das forças e da razão L/V do rodeiro na região de ressonância. O aumento do amortecimento deste vínculo, devido à mola elastomérica, proporcionou resultados ainda melhores e indicou que a alteração das características da suspensão secundária pode reduzir a amplitude do movimento de rolagem harmônica. A metodologia de análise do comportamento dinâmico proposta, através dos mapas de resposta, pode auxiliar na determinação das faixas críticas de velocidade de um vagão ferroviário de carga, no tráfego em vias cujas características típicas das irregularidades são conhecidas. Empresas do setor ferroviário podem aplicar este método no projeto de novos vagões, bem como no estudo da velocidade crítica de determinada frota já em operação. / This study uses the multibody system modeling techniques to analyze the dynamic behavior of a railway freight wagon, traveling over tangent track with periodic cross level defect. The study shows the modeling of the main links of the system, as the center plate contact, helical springs and dry friction damper. The suggested modeling of the center plate contact is based on an elastic foundation model, and uses the geometric characteristic of these bodies. The dynamic friction model developed is bidirectional, being used in the dissipative suspension elements. The stiffness matrix of the helical springs is obtained using the Frenet-Serret trihedral and the Second Castigliano Theorem. The mathematical model, developed with the software ADAMS/Rail, is composed of 90 rigid bodies and a flexible car body and has 210 degrees of freedom. A comparison of results obtained in experimental modal identification and analysis of the mathematical model showed that the assumptions made in modeling are acceptable, reinforcing the use of multibody models in dynamic analysis of rail vehicles. The traffic speed variation on different lengths of track irregularity provided the results to make the dynamic response maps. These maps were drawn to roll angle, vertical force in the wheel-rail contact and wheelset L/V and identified the most sensitive regions to harmonic roll. The roll and torsion of the car body were identified as the main movements of the vehicle, when traveling over tangent track with periodic cross level defect. The use of worn center plate increased the critical speed range to the roll motion and decreases the performance for slower speeds. The increase in the damping of the primary suspension, through the lenoir link inclination, decreased the rolling angle and wheel lift in comparison to the nominal case. The use of constant contact side bearer reduced the roll angle and wheelset L/V ratio and increased the vertical load on wheels in the resonance region. The use of elastomeric side bearer provided even better results indicating that changes of the secondary suspension characteristics can minimize the movement of harmonic roll. The methodology for analyzing the dynamic behavior, through the proposed response maps, can assist in determining the critical speed ranges of a railway freight wagon running over a track whose typical irregularities characteristics are known. Companies in the rail industry can apply this method in the design of new cars, and study the critical velocity of a given railway fleet already in operation.

Cette thèse de doctorat a pour objet l'étude d'échangeurs géothermiques hélicoïdaux implantés dans le proche sous-sol. Ces objets font partie de la famille des échangeurs géothermiques compacts, et sont une alternative aux sondes verticales et aux nappes horizontales plus couramment utilisées pour chauffer et rafraîchir des bâtiments (géothermie sèche, très basse enthalpie). L'étude à la fois théorique et expérimentale de ces échangeurs mène à différents modèles, numériques comme analytiques, permettant de prévoir le comportement en température du sous-sol comme du fluide caloporteur. Des résultats de simulation intégrant le couplage aux bâtiments sont présentés, et des outils logiciels ont été créés pour aider au dimensionnement d'installations. De surcroît, un "test de réponse thermique" adapté à ces échangeurs a été développé, afin de permettre d'estimer les propriétés thermiques moyennes du sous-sol et la résistance thermique liée à l'installation de l'échangeur. Enfin, des conseils pratiques sont donnés, dont le but est d'obtenir les températures d'utilisation les mieux adaptées aux pompes à chaleur, et en conséquence d'améliorer les coefficients de performance du système. / This thesis consists in a study of geothermal helical heat exchangers buried in the close underground. These objects belong to the compact exchangers kind and may be used instead of borehole heat exchanger or geothermal horizontal exchangers to cope with the needs in heating and cooling buildings with a heat pump. A theoretical and experimental study of these exchangers leads to numerical and analytical models which can be used to estimate the temperatures in the underground and in the exchanger over years. Results of simulations including a building are given, and softwares were developed to help with the sizing of installations. Moreover, a specific "thermal response test" for helical heat exchangers was developed, in order to estimate the mean thermal properties of the underground and the thermal resistance between the heat transfer fluid and the underground. At least, practical advices are given, which goal is to get more valuable temperatures at the heat pump and as a consequence better coefficients of performance of the geothermal system.

<p>Thin metal films have found their use in many magnetic devices. They form pseudo two-dimensional systems, where the mechanisms for the magnetic interactions between the layers are not completely understood. Layered crystal structures have an advantage over such artificial systems, since the layers can be strictly mono-atomic without any unwanted admixture. In this study, some model systems of layered magnetic crystal structures and their solid solutions have been investigated by x-ray and neutron diffraction, Mössbauer and electron spectroscopy, heat-capacity and magnetic measurements, and first-principle electronic structure calculations, with the goal of deepening our understanding through controlled chemical synthesis.</p><p>The compounds TlCo₂S₂, TlCo₂Se₂ and their solid solution TlCo₂Se_2-xS_x, all containing well separated cobalt atom sheets, order with the moments ferromagnetically aligned within the sheets. In TlCo₂S₂, the net result is ferromagnetism, while TlCo₂Se₂ exhibits antiferromagnetism. The inter-layer distance is crucial for the long-range coupling, and it was varied systematically through Se-S substitution. The incommensurate helical magnetic structure found for TlCo₂Se₂ (x = 0) prevails in the composition range 0 ≤ x ≤ 1.5 but the pitch of the helix changes. The accompanying reduction in inter-layer distance on sulphur substitution varies almost linearly with the coupling angle of the helix. An additional competing commensurate helix (90°) appears in the medium composition range (found for x = 0.5 and 1.0).</p><p>The systems TlCo_2-xMe_xSe₂ show helical magnetic ordering for Me = Fe or Cu, while a collinear antiferromagnetic structure occurs for Me = Ni. Magnetic order is created by iron substitution for copper in the Pauli paramagnetic TlCu₂Se₂, but now with the moments perpendicular to the metal sheets.</p><p>TlCrTe₂ forms a quite different crystal structure, with intra-layer ferromagnetic alignment and net collinear antiferromagnetism. In contrast to the other phases, the values of the moments conform well to a localised model for Cr³⁺.</p>

<p>The subjects of the thesis are theoretical first principles calculations of X-ray absorption (XA) spectra and current induced spin transfer torque. XA spectra calculated from atomic multiplet theory and from band structure calculations, based on density functional theory for La_0.7Sr_0.3MnO₃ have been compared to experiment. The comparison shows that the effect of the core hole created in the XA process must be considered in the calculation. The theory by Mahan, Nozières and De Dominicis (MND) of dynamical core hole screening is generalised to multiband systems and implemented in first principle calculations. Calculations of the XA spectrum of graphite, including dynamical core hole screening, are shown to better reproduce the relative intensity of the peaks in the experimental spectrum compared to static calculations based on the local density of state of a core excited atom. In combination with experiments the developed method to calculate XA spectra is used to investigate the electronic structure of mixed valent Yb, hydrogen storage in carbon nanotubes and the structure of liquid water. Moreover, a method to calculate the current induced spin transfer torque in materials with a helical spin density wave from first principles has been developed. The method is applied to rare earth metals and it is shown that a current along the axis of spin rotation induces a torque which gives rise to a rotation of the magnetisation direction.</p>

The subjects of the thesis are theoretical first principles calculations of X-ray absorption (XA) spectra and current induced spin transfer torque. XA spectra calculated from atomic multiplet theory and from band structure calculations, based on density functional theory for La0.7Sr0.3MnO3 have been compared to experiment. The comparison shows that the effect of the core hole created in the XA process must be considered in the calculation. The theory by Mahan, Nozières and De Dominicis (MND) of dynamical core hole screening is generalised to multiband systems and implemented in first principle calculations. Calculations of the XA spectrum of graphite, including dynamical core hole screening, are shown to better reproduce the relative intensity of the peaks in the experimental spectrum compared to static calculations based on the local density of state of a core excited atom. In combination with experiments the developed method to calculate XA spectra is used to investigate the electronic structure of mixed valent Yb, hydrogen storage in carbon nanotubes and the structure of liquid water. Moreover, a method to calculate the current induced spin transfer torque in materials with a helical spin density wave from first principles has been developed. The method is applied to rare earth metals and it is shown that a current along the axis of spin rotation induces a torque which gives rise to a rotation of the magnetisation direction.