Ce travail théorique est consacré à l'étude du transport électronique dans les nanostructures. Nous nous sommes placés dans le cadre des approches de Landauer et post-Landauer. Dans celles-ci, la bonne description du problème de transport réside dans le calcul des self-énergies, censées décrire les effets de résistance de contact ainsi que les interations dans le dispositif. Dans ce travail, nous nous sommes tour à tour intéressés à ces deux aspects. Afin de décrire les mécanismes de résistance de contact, nous avons développé une méthode basée sur la notion de canaux effectifs de conduction. Le calcul de ces canaux par récursion matricielle, associé à la dérivation d'une nouvelle formule de la conductance, permet la détermination exacte des effets des contacts. Nous avons de plus mis au point une méthodologie \textit{ab initio}, permettant d'inclure les interactions électron-électron dans le transport quantique, au travers de l'approximation $GW$ d'Hedin sur la self-énergie. La seconde partie de ce travail porte sur l'analyse des propriétés de transport du graphène. Nous avons tout d'abord expliqué les caractéristiques expérimentales de magnéto-résistance du graphène épitaxié par un mécanisme consécutif à la juxtaposition de plans. Enfin, nous avons calculé la conductance de dispositifs composés de nanostructures de graphène. Nous avons montré que de telles structures présentent de forts effets de résistance de contact, pouvant s'interpréter en termes de diffraction d'électrons. Nous avons alors introduit la notion de barrière de diffraction, qui permet d'extraire les caractéristiques de conductance, sans procéder à un calcul de structure électronique.

The study presents the spatio-temporal assessment of groundwater-surface water (GW-SW) interaction aspects in the Schoonspruit River catchment, North West of South Africa. The research study aimed at improving understanding of groundwater and surface water interaction through assessing its location and time when such interaction occurs. GW-SW interaction sites were identified using principal aquifer type characterization methods. The occurrence of the interaction was established using hydrochemistry methods and the effectiveness of the existing monitoring methods were evaluated in their consideration of GW-SW interaction within the study area. The main results from the study showed that there was GW-SW interaction in the Schoonspruit River catchment which was not affected by seasonal changes. The result further showed that existing monitoring methods in the study catchment were not effective in addressing GW-SW interaction. The study concluded that qualitative methods are essential in studying GW-SW interaction and that monitoring methods for such interactions are required / Centre for Sustainable Agriculture and Environmental Sciences / M. Sc. (Environmental Management)

[ES] Esta tesis aborda temas de especial interés en el diseño de antenas en la banda de milimétricas. Hui en dia, implementar components passius per a operar en la banda de mil·limètriques i assegurar el contacte i l'alineament metàl·lic apropiat entre peces, resulta un desafiament complex. Habitualment les línies de transmissió i les guies d'ones metàl·liques són les solucions adoptades, però en el primer cas es presenten pèrdues al ser solucions impreses i en el segon cas un mal contacte metàl·lic comporta fugues de camp. Per tant, s'estan explorant nous conceptes que solucionen estos problemes. La tecnología Gap Waveguide (GW) resulta adecuada ya que no requiere de contactos metálicos. En los últimos años han surgido las agrupaciones de antenas basadas en la tecnología Gap Waveguide y son un candidato prometedor para satisfacer algunas de las necesidades mencionadas. La tecnología GW ha demostrado ser atractiva para dispositivos de milimétricas porque permite redes de distribución completamente metálicas de una manera más simple que las guías de onda convencionales. Por tanto, estas redes tienen muy bajas pérdidas pero además son simples de fabricar. Esto es posible gracias a la capacidad de las GW de confinar de forma segura la propagación de ondas electromagnéticas por medio de una estructura que no requiere de contacto. Durante la última década, se han hecho avances importantes en la tecnología GW y en la literatura se pueden encontrar un buen número de antenas basadas en GW. Esta tesis va un paso más allá en la contribución de este tipo de antenas. Aquí, no solo se presentan antenas con polarización lineal, como suelen ser las desarrolladas hasta ahora, sino también con polarización dual, circular y duales en banda. Estas aportaciones son especialmente atractivas dentro del campo de las comunicaciones por satélite en movimiento (SATCOM on-the-move). Además, se han explorado nuevas redes de distribución que permiten antenas planas más compactas, más ligeras. / [CAT] Esta tesi aborda temes d'especial interés en el disseny d'antenes en la banda de mil.limètriques. Hui en dia, implementar components passius per a operar en longituds d'onda tan xicotetes (de l'orde de mil.límetres) i assegurar el contacte i l'alineament metàl-lic apropiat entre peces, resulta un desafiament complex. Habitualment les línies de transmissió i les guia d'ones metàl.liques són les solucions adoptades, però en el primer cas es presenten pèrdues al ser solucions impreses i en el segon cas un mal contacte metàl.lic comporta fugues de camp. Per tant, s'estan explorant nous conceptes que solucionen estos problemes. La tecnologia Gap Waveguide (GW) resulta adequada ja que no requerix de contactes metàl.lics. En els últims anys han sorgit les agrupacions d'antena basades en la tecnologia Gap Waveguide i són un candidat prometedor per a satisfer algunes de les necessitats mencionades. La tecnologia GW ha demostrat ser atractiva per a dispositius de banda d'ones mil-limètriques perquè permet xarxes de distribució completament metàl-liques d'una manera més simple que les guies d'onda convencionals. Per tant estes xarxes tenen baixes pèrdues peró, a més, són simples de fabricar. Açò és possible gràcies a la capacitat de les GW de confinar de forma segura la propagació d'ones electromagnètiques per mitjà d'una estructura que no requerix de contacte. Durant l'última dècada, s'han fet avanços importants en la tecnologia GW i en la literatura es poden trobar un bon nombre d'antenes basades en GW. Esta tesi va un pas més enllà en la contribució d'este tipus d'antenes. Ací, no sols es presenten antenes amb polarització lineal com solen ser les desenrotllades fins ara, sinó també antenes amb polarització dual, circular i inclús antenes duals en banda. Estes aportacions són especialment atractives dins del camp de les comunicacions per satèl.lit en moviment (SATCOM on-the-move). A més també s'han explorat noves xarxes de distribució que permeten obtindre antenes planes més compactes, més lleugeres. / [EN] This thesis deals with topics of special interest regarding the design of antennas at the mm-wave band. Today, implementing passive components that operate in the mm-wave band and to ensure the appropriate metallic contact is challenging. Commonly, conventional planar transmission lines and hollow metallic waveguides are the usual solutions but they present high losses or they do not ensure a good metallic contact. So, new concepts must be explored. Gap Waveguides (GWs), result suitably since they do not require metallic contact for shielding. Antenna arrays in Gap Waveguide Technology (GW) emerges as one promising candidate to naturally meet some of the mentioned needs. GW technology has demonstrated to be effective for mm-wave band devices because it enables full-metal distribution networks in a much simpler way than conventional waveguides. Very low distribution losses can be achieved preserving at the same time the assembly simplicity of multilayer microstrip feeding networks. This unique feature is a consequence of gap waveguides ability to safely confine the electromagnetic wave propagation through a contactless structure. During the last decade, there have been important advances in GW technology and a good number of gap waveguide-based arrays can be found in the literature. This thesis goes a step further in the contribution to mm-wave gap waveguide antennas. Here, antennas with linear polarization as well as circular or dual polarization are proposed. Dual band antennas has also been explored. These contributions have been carried out with a focus on satellite communications on-the-move. In addition, new distribution networks have also been explored to obtain more compact, low-profile and lighter antennas. / Ferrando Rocher, M. (2018). Gap Waveguide Array Antennas and Corporate-Feed Networks for mm-Wave band Applications [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/115933 / TESIS

Die intermetallischen Verbindungen der RCu2-Serie (R = Seltenerd-Elemente) zeigen eine ungewöhnliche Vielfalt von magnetischen Strukturen in Abhängigkeit von Temperatur und äußerem Magnetfeld. Diese Vielfalt ist verursacht durch das Wechselspiel von indirekter Austauschwechselwirkung und anisotropem kristallelektrischen Feld. Die RCu2-Verbindungen kristallisieren in der CeCu2-Struktur, welche als orthorhombische Verzerrung der hexagonalen AlB2-Struktur verstanden werden kann. Ziel der vorliegenden Arbeit ist es, RCu2-Verbindungen mit magnetischer Röntgenbeugung bzw. resonanter magnetischer Röntgenstreuung zu untersuchen, teilweise ergänzt durch Neutronenbeugungsexperimente. Dem zur Neutronenbeugung komplementären Charakter der Röntgenmethoden entspricht es, dass dabei spezielle Details der magnetischen Strukturen untersucht werden. Zusätzlich zur Untersuchung der magnetischen Eigenschaften und Strukturen und zur Suche nach den Ursachen für die auftretenden Phasenübergänge werden magnetoelastische Kopplungen in der pseudohexagonalen Substanzgruppe betrachtet (R = Nd, Gd, Tb, Dy). Der Zusammenhang von kristalliner und magnetischer Struktur wird auch unter Variation und Mischung der Elemente auf dem Seltenerd-Platz erforscht (Tb(1-x)DyxCu2, Tb(1-x)PrxCu2, Dy(1-x)YxCu2). Für die Untersuchung des elementspezifischen Magnetismus bei Vorhandensein mehrerer magnetischer Atomsorten in einem Kristall ist dabei die resonante magnetische Röntgenstreuung die einzig verfügbare Methode. Im Tb0.5Dy0.5Cu2 wird dabei ein unerwartetes Verhalten im Temperaturverlauf der magnetischen Strukturen beobachtet. Ergebnisse aus ergänzenden Neutronenbeugungsexperimenten werden ebenfalls vorgestellt und mittels Rietveld-Verfeinerung der kristallinen und magnetischen Strukturen ausgewertet. Im Ergebnis der Arbeit sind die untersuchten magnetischen Strukturen näher bekannt. Magnetoelastische Wechselwirkungen werden unter Verwendung von Beugungsmethoden neuartig gemessen. / The intermetallic compounds of the RCu2 series (R = rare earths) show a large variety of magnetic structures depending on temperature and external field, mainly caused by the interplay of an indirect exchange interaction and the anisotropy of the crystalline electric field. The RCu2 compounds crystallize in the CeCu2 structure, which can be described as an orthorhombic distortion of the hexagonal AlB2 structure. The aim of the present work is the investigation of RCu2 compounds by using resonant and nonresonant magnetic x-ray scattering, supplemented by neutron scattering. Because of the complementarity of magnetic x-ray and neutron scattering this investigation reveals new details of the magnetic structures of the studied compounds. Magnetic properties and magnetic structures are investigated as well as magnetic phase transitions and magneto-elastic coupling in the pseudohexagonal compounds. The correlation between the crystallographic structure and the magnetic structures is studied for different rare earths (R = Nd, Gd, Tb, Dy) but also for partial substitution of magnetic rare earths by magnetic or nonmagnetic ions on the rare earth site (Tb(1-x)DyxCu2, Tb(1-x)PrxCu2, Dy(1-x)YxCu2). Resonant magnetic x-ray scattering is the only method available to investigate the element specific magnetism in crystals with different magnetic ions. By the study of the Tb resonance and the Dy resonance on Tb0.5Dy0.5Cu2 an unexpected developement of the magnetic structures with temperature is observed. The results of supplementary neutron scattering experiments are presented and analyzed by Rietveld refinement of the crystallographic and magnetic structures, mainly focussed on TbCu2. In summary, new insights into the different magnetic structures of RCu2 compounds are gained. The strong magneto-elastic coupling is studied by different scattering methods applied to this problem for the first time.

Die intermetallischen Verbindungen der RCu2-Serie (R = Seltenerd-Elemente) zeigen eine ungewöhnliche Vielfalt von magnetischen Strukturen in Abhängigkeit von Temperatur und äußerem Magnetfeld. Diese Vielfalt ist verursacht durch das Wechselspiel von indirekter Austauschwechselwirkung und anisotropem kristallelektrischen Feld. Die RCu2-Verbindungen kristallisieren in der CeCu2-Struktur, welche als orthorhombische Verzerrung der hexagonalen AlB2-Struktur verstanden werden kann. Ziel der vorliegenden Arbeit ist es, RCu2-Verbindungen mit magnetischer Röntgenbeugung bzw. resonanter magnetischer Röntgenstreuung zu untersuchen, teilweise ergänzt durch Neutronenbeugungsexperimente. Dem zur Neutronenbeugung komplementären Charakter der Röntgenmethoden entspricht es, dass dabei spezielle Details der magnetischen Strukturen untersucht werden. Zusätzlich zur Untersuchung der magnetischen Eigenschaften und Strukturen und zur Suche nach den Ursachen für die auftretenden Phasenübergänge werden magnetoelastische Kopplungen in der pseudohexagonalen Substanzgruppe betrachtet (R = Nd, Gd, Tb, Dy). Der Zusammenhang von kristalliner und magnetischer Struktur wird auch unter Variation und Mischung der Elemente auf dem Seltenerd-Platz erforscht (Tb(1-x)DyxCu2, Tb(1-x)PrxCu2, Dy(1-x)YxCu2). Für die Untersuchung des elementspezifischen Magnetismus bei Vorhandensein mehrerer magnetischer Atomsorten in einem Kristall ist dabei die resonante magnetische Röntgenstreuung die einzig verfügbare Methode. Im Tb0.5Dy0.5Cu2 wird dabei ein unerwartetes Verhalten im Temperaturverlauf der magnetischen Strukturen beobachtet. Ergebnisse aus ergänzenden Neutronenbeugungsexperimenten werden ebenfalls vorgestellt und mittels Rietveld-Verfeinerung der kristallinen und magnetischen Strukturen ausgewertet. Im Ergebnis der Arbeit sind die untersuchten magnetischen Strukturen näher bekannt. Magnetoelastische Wechselwirkungen werden unter Verwendung von Beugungsmethoden neuartig gemessen. / The intermetallic compounds of the RCu2 series (R = rare earths) show a large variety of magnetic structures depending on temperature and external field, mainly caused by the interplay of an indirect exchange interaction and the anisotropy of the crystalline electric field. The RCu2 compounds crystallize in the CeCu2 structure, which can be described as an orthorhombic distortion of the hexagonal AlB2 structure. The aim of the present work is the investigation of RCu2 compounds by using resonant and nonresonant magnetic x-ray scattering, supplemented by neutron scattering. Because of the complementarity of magnetic x-ray and neutron scattering this investigation reveals new details of the magnetic structures of the studied compounds. Magnetic properties and magnetic structures are investigated as well as magnetic phase transitions and magneto-elastic coupling in the pseudohexagonal compounds. The correlation between the crystallographic structure and the magnetic structures is studied for different rare earths (R = Nd, Gd, Tb, Dy) but also for partial substitution of magnetic rare earths by magnetic or nonmagnetic ions on the rare earth site (Tb(1-x)DyxCu2, Tb(1-x)PrxCu2, Dy(1-x)YxCu2). Resonant magnetic x-ray scattering is the only method available to investigate the element specific magnetism in crystals with different magnetic ions. By the study of the Tb resonance and the Dy resonance on Tb0.5Dy0.5Cu2 an unexpected developement of the magnetic structures with temperature is observed. The results of supplementary neutron scattering experiments are presented and analyzed by Rietveld refinement of the crystallographic and magnetic structures, mainly focussed on TbCu2. In summary, new insights into the different magnetic structures of RCu2 compounds are gained. The strong magneto-elastic coupling is studied by different scattering methods applied to this problem for the first time.

First principle electronic structure theory is used to describe the effect of crystal binding on radiation detectors, electron transport properties, and structural damage induced by intense irradiation. A large database containing general electronic structure results to which data mining algorithms can be applied in the search for new functional materials, a case study is presented for scintillator detector materials. Inelastic cross sections for the generation of secondary electron cascades through impact ionization are derived from the dielectric response of an electron gas and evolved in time with Molecular Dynamics (MD). Qualitative and quantitive estimates are presented for the excitation and relaxation of a sample irradiated with Free Electron Laser pulses. A study is presented in where the structural damage on covalent bonded crystals following intense irradiation is derived from a Tight Binding approach and evolved in time with MD in where the evolution of the sample is derived from GW theory for the quasiparticle spectra and a dedicated Boltzmann transport equation for the impact ionization.

Dans ce travail, une nouvelle voie pour le calcul de la fonction de Green (GF) à une particule a été développée. L' objectif est de remédier aux défauts de nombreuses autres approches à plusieurs corps, par exemple l'approximation GW (GWA), dans le traitement des forts effets de corrélation dans les solides. L'idée consiste à résoudre un ensemble d'équations différentielles fonctionnelles et non-linéaires, qui sont centrales à la théorie des perturbations à plusieurs corps. Dans un premier temps, ce qu'on appelle le modèle à un 1-point est employé (une seule valeur pour chaque variable d'espace, temps, spin est retenue) et l'ensemble des équations se réduit alorsà une seule équation algébrique, pour laquelle une solution exacte et explicite est obtenue. La solution est utilisée comme outil de référence pour analyser les performances des autres méthodes bien établies (par exemple, des versions différentes de GW). Par ailleurs, des approximations alternatives sont conçues et pour les plus prometteuses la généralisation à la forme fonctionnelle (complète) est discutée. La dernière partie de cetravail aborde la généralisation de l'approche au-delà du cadre à1-point. Tout d'abord la dépendance en fréquence de la GF est restaurée (tout en conservant le modèle à un 1-point pour les variables d'espace et despin) et l'ensemble des équations est résolu. Il est montré que dans un tel cadre, il est possible de retrouver ce que l'on appelle "l'expansion en cumulants" pour GF- une approximation qui va au-delà de GW et fournit des fonctions spectrales en bon accord avec les expériences de photo-émission . Enfin, à l'aide d'un ansatz, une famille de solutions pour les equations dans leur forme fonctionnelle est obtenue et des moyens sont proposés, allant bien au delà de l'état de l'art, afin d'obtenir des approximations pour celles ayant une signification physique.

Introduction: Epidemiological studies have indicated that 5-38% of influenza like illnesses (ILI) develop into severe disease due to, among others, factors such as; underlying chronic diseases, age, pregnancy, and viral mutations. There are suggestions that dual or multiple virus infections may affect disease severity. This study investigated the association between co-infection between influenza A viruses and other respiratory viruses and disease severity. Methodology: Datum for samples from North West England tested between January 2007 and June 2012 was analysed for patterns of co-infection between influenza A viruses and ten respiratory viruses. Risk of hospitalization to a general ward ICU or death in single versus mixed infections was assessed using multiple logistic regression models. Results: One or more viruses were identified in 37.8% (11,715/30,975) of samples, of which 10.4% (1,214) were mixed infections and 89.6% (10,501) were single infections. Among patients with influenza A(H1N1)pdm09, co-infections occurred in 4.7% (137⁄2,879) vs. 6.5% (59⁄902) in those with seasonal influenza A virus infection. In general, patients with mixed respiratory virus infections had a higher risk of admission to a general ward (OR: 1.43, 95% CI: 1.2 – 1.7, p = <0.0001) than those with a single infection. Co-infection between seasonal influenza A viruses and influenza B virus was associated with a significant increase in the risk of admission to ICU/ death (OR: 22.0, 95% CI: 2.21 – 219.8 p = 0.008). RSV/seasonal influenza A viruses co-infection also associated with increased risk but this was not statistically significant. For the pandemic influenza A(H1N1)pdm09 virus, RSV and AdV co-infection increased risk of hospitalization to a general ward, whereas Flu B increased risk of admission to ICU/ death, but none of these were statistically significant. Considering only single infections, RSV and hPIV1-3 increased risk of admission to a general ward (OR: 1.49, 95% CI: 1.28 – 1.73, p = <0.0001 and OR: 1.34, 95% CI: 1.003 – 1.8, p = 0.05) and admission to ICU/ death (OR: 1.5, 95% CI: 1.20 – 2.0, p = <0.0001 and OR: 1.60, 95% CI: 1.02 – 2.40, p = 0.04). Conclusion: Co-infection is a significant predictor of disease outcome; there is insufficient public health data on this subject as not all samples sent for investigation of respiratory virus infection are tested for all respiratory viruses. Integration of testing for respiratory viruses’ co-infections into routine clinical practice and R&D on integrated drugs and vaccines for influenza A&B, RSV, and AdV, and development of multi-target diagnostic tests is encouraged.

Text in English / Energy is the natural power stored in matter which can be potential and kinetic energy. This occurs in nature in various forms such as chemical energy, thermal energy, electromagnetic radiation, gravitational energy, electric energy, elastic energy, nuclear energy, and rest energy. The scientific research relating to nuclear energy has revealed that atoms are the foundation of matter. In 1905 Albert Einstein initiated the quantum revolution utilising the Newtonian mass-energy equivalence concept in order to put his famous equation: E =mc2, where energy is (E). This facilitated the nuclear research which focused on manufacturing the first atomic bomb. In 1945 the USA acquired its first two atomic bombs which were dropped on Nagasaki and Hiroshima, killing 200 000 people; mostly civilians. But nuclear energy research has been redirected by scientists in order to industrialise nuclear technology in order to address growing power needs. This encouraged policy makers to consider the risks posed by utilising nuclear energy for civil purposes. The shift towards peaceful nuclear energy applications has been motivated by the many valuable contributions to humankind which nuclear energy offers - for instance in the fields of energy generation, human health, agriculture and industry. The nature of nuclear energy lends itself to becoming an important component of the world energy and global economic system. Nuclear energy is a viable option for many countries including South Africa, because it offers an economic and clean source of electricity; the primary engine for socio-economic development. South Africa operates the only two nuclear power reactors in Africa, (Koeberg 1 and Koeberg 2) generating 1.8 GWe. South Africa’s energy supply infrastructure consists fundamentally of coal-fired power plants which pose serious threats to the environment. Therefore, it is assumed that the planned 9.6 GW of new nuclear capacity by 2030 will meet the requirements of South Africa’s policy regarding the diversification of available energy resources to secure energy supply, support economic growth, and contribute to environmental management. Consequently, the legal system which governs nuclear energy programme is intended to prohibit the proliferation of nuclear weapons, ensure security and maintain the safe operation of nuclear facilities. / Public, Constitutional, & International Law / LL.D.

Energy is the natural power stored in matter which can be potential and kinetic energy. This occurs in nature in various forms such as chemical energy, thermal energy, electromagnetic radiation, gravitational energy, electric energy, elastic energy, nuclear energy, and rest energy. The scientific research relating to nuclear energy has revealed that atoms are the foundation of matter. In 1905 Albert Einstein initiated the quantum revolution utilising the Newtonian mass-energy equivalence concept in order to put his famous equation: E =mc2, where energy is (E). This facilitated the nuclear research which focused on manufacturing the first atomic bomb. In 1945 the USA acquired its first two atomic bombs which were dropped on Nagasaki and Hiroshima, killing 200 000 people; mostly civilians. But nuclear energy research has been redirected by scientists in order to industrialise nuclear technology in order to address growing power needs. This encouraged policy makers to consider the risks posed by utilising nuclear energy for civil purposes. The shift towards peaceful nuclear energy applications has been motivated by the many valuable contributions to humankind which nuclear energy offers - for instance in the fields of energy generation, human health, agriculture and industry. The nature of nuclear energy lends itself to becoming an important component of the world energy and global economic system. Nuclear energy is a viable option for many countries including South Africa, because it offers an economic and clean source of electricity; the primary engine for socio-economic development. South Africa operates the only two nuclear power reactors in Africa, (Koeberg 1 and Koeberg 2) generating 1.8 GWe. South Africa’s energy supply infrastructure consists fundamentally of coal-fired power plants which pose serious threats to the environment. Therefore, it is assumed that the planned 9.6 GW of new nuclear capacity by 2030 will meet the requirements of South Africa’s policy regarding the diversification of available energy resources to secure energy supply, support economic growth, and contribute to environmental management. Consequently, the legal system which governs nuclear energy programme is intended to prohibit the proliferation of nuclear weapons, ensure security and maintain the safe operation of nuclear facilities. / Public, Constitutional, and International Law / LL. D.