The aim of diploma thesis is to design one variant of technical flood protection in the urban area of the town of Litovel. The subject of the work is the elaboration of the so called "zero variant", consisting in the transfer of part of the flood flows through the Morava riverbed in km 259,852 - 262,070 and the Power Plant drive in km 0.000 - 1.791. Hydraulic calculations were carried out using a 1D numerical model. The outputs have been processed in the form of project documentation of flood protection.

The master’s thesis deals with methods of matching of a turbocharger to a combustion engine and with the analysis of their mutual cooperation. Besides a methodology of analytical determination of the appropriate size for compressor and turbine stage, there was created a thermodynamic model of an engine that is to be used as a means of propulsion for a prototype single-seater for the competition Formula Student. Post processing of real engine data measured on a dyno helped to create a parameter database that could be used for validation of the thermodynamic engine model and for deeper understanding of the system’s internal processes.

This thesis deals with the assessment of the current state of flood protection in Brno, Pisárky and the Staré Brno district on the Svratka river at km 37.053 to 41.116 and the subsequent design and assessment of flood protection measures. Hydraulic calculations were carried out using the coupled 1D / 2D numerical model of water flow to pass peak flows Q1, Q5, Q20, Q100 a Q100 unaffected. The results are processed in the form of inundation maps and drawing documentation.

[pt] Uma análise numérica de escoamento anular vertical ascendente é realizada utilizando o Modelo de Dois Fluidos unidimensional. Para escoamentos verticais, na ausência de mecanismos estabilizadores, o sistema de equações resultante é incondicionalmente mal posto. Dessa forma, visando tornar o sistema de equações bem posto, adicionou-se às equações de quantidade de movimento um termo de pressão dinâmica. Dois modelos disponíveis na literatura são investigados. O primeiro só considera a pressão dinâmica na equação de quantidade de movimento do líquido, a qual é baseada em uma simples expressão para a velocidade da onda na interface. O segundo modelo inclui uma contribuição da pressão dinâmica em ambas equações de quantidade de movimento. No presente trabalho, um terceiro modelo é proposto, o qual é baseado no primeiro modelo, com uma avaliação mais realista da velocidade da onda na interface. O efeito estabilizante da pressão dinâmica é demonstrado através de um rigoroso teste de convergência de malha. As equações de conservação são discretizadas com o método de volumes finitos, com uma integração temporal de primeira ordem e uma discretização espacial TVD de segunda ordem. Tanto o segundo quanto o terceiro modelo considerados apresentaram solução independente da malha. Parâmetros do escoamento como gradiente de pressão, espessura do filme, e variáveis características da onda obtidos numericamente são comparados com dados experimentais disponíveis na literatura, apresentando boa concordância. / [en] A numerical analysis of vertical ascending annular flow with the 1D Two-Fluid model is performed. It is well known that, in vertical flows, the resulting system of equations is unconditionally ill-posed in the absence of stabilizing mechanisms. Therefore, in the present work, to render the system of equations well-posed, modeling of dynamic pressure is included in the momentum equations. Two models available in the literature are examined. The first one only considers the dynamic pressure in the liquid momentum equation, which is based on a simple expression for the interface wave velocity. The second model includes a dynamic pressure contribution to both momentum equations. A third model is proposed based on the first, with a more realistic estimation of the interface wave velocity. A systematic grid convergence test is performed to demonstrate the stabilizing effect of the dynamic pressure. The conservation equations are discretized with the finite volume method, with a first order time integration, and a second order TVD spatial discretization. A grid-independent solution can be found when applying the second and third models considered. Flow parameters such as pressure drop, film thickness and wave characteristics numerically obtained are compared against available experimental data, presenting good agreement.

Internal combustion engines, electric motors and batteries generate a significant amount of heat during operation that needs to be extracted by cooling systems. A cooling system is designed and installed to extract the generated heat and maintain the system temperature in an optimal range. Overheating has several unfavorable outcomes such as less durability and lower energy efficiency. The cooling system consists of several components such as hoses, flow splitters, valves, heat exchangers, coolant, pump, etc. The coolant, as the working fluid, is pumped to different heat generator component to enable the cooling down process. Computational Fluid Dynamics (CFD) is a powerful and cost efficient tool to simulate the cooling processes, design, and evaluate the performance of a cooling system. Generally, one dimensional CFD is a common approach to interpret and explain the cooling processes in the automotive industry due to its high flexibility and computational cost efficiency. Also, three dimensional CFD is employed whenever it is required to study complex physical phenomena and provide detailed information. Additionally, it is possible to couple one dimensional and three dimensional CFD approaches to simulate cooling processes. Not only is the coupled 1D-3D CFD approach able to capture complicated physical processes but also is flexible and cost efficient. The objective of this master thesis is to implement 1D-3D CFD coupled simulation on internal combustion engines’ cooling system and evaluate the advantages and disadvantages of this method. The performance of this method is examined in different case studies with different flow and geometrical characteristics. The effect of various turbulence models and numerical settings are investigated on the quality of the coupled simulations’ results. The coupled simulations are carried out using GT-SUITE and STAR-CCM+ software. The performed simulations show that the coupling method is a convenient approach which is able to capture detailed physics with high precision requiring reasonable computational costs. The results of the coupled simulations depict agreement with the uncoupled 1D CFD simulations, although some discrepancies are observed in complex case studies. Also, it is shown that the coupled simulations are sensitive to numerical settings and physical models, consequently, the case setup should be optimized carefully. / Förbränningsmotorer, elmotorer och batterier genererar en betydande mängd värme under drift som behöver extraheras av kylsystem. Ett kylsystem är utformat och installerat för att extrahera den genererade värmen och hålla systemtemperaturen i ett optimalt intervall. Överhettning har flera ogynnsamma följder, som mindre hållbarhet och lägre energieffektivitet. Kylsystemet består av flera komponenter, till exempel slangar, flödesdelare, ventiler, värmeväxlare, kylvätska, pump etc. Kylvätskan, som arbetsvätska pumpas till olika värmegenerator-komponenter för att möjliggöra nedkylningsprocessen.Computational Fluid Dynamics (CFD) är ett kraftfullt och kostnadseffektivt verktyg för att simulera kylprocesserna, utforma och utvärdera prestanda för ett kylsystem. I allmänhet är endimensionell CFD en vanlig metod för att tolka och förklara kylningsprocesserna i bilindustrin på grund av dess höga flexibilitet och beräkningseffektivitet. Dessutom används tredimensionell CFD när det krävs, för att studera komplexa fysiska fenomen och tillhandahålla detaljerad information. Dessutom är det möjligt att koppla ihop en- och tredimensionell CFD-metod för att simulera kylningsprocesser. Inte bara är den kopplade 1D-3D CFD-metoden möjlig för att betrakta komplicerade fysiska processer, utan är även flexibel och kostnadseffektiv.Syftet med detta examensarbete är att implementera 1D-3D CFD kopplad simulering på förbränningsmotorns kylsystem och utvärdera fördelarna och nackdelarna med denna metod. Uppträdandet av denna metod undersöks i olika fallstudier med olika flöde och geometriska egenskaper. Effekterna av olika turbulensmodeller och numeriska inställningar undersöks genom kvaliteten på resultaten hos kopplingens simuleringar. De kopplade simuleringarna utförs med hjälp av mjukvaran GT-SUITE och STAR CCM +.De utförda simuleringarna visar att kopplingsmetoden är ett bekvämt tillvägagångssätt som kan fånga detaljerad fysik med hög precision till rimliga beräkningskostnader. Resultaten av de kopplade simuleringarna visar överensstämmelse med de frikopplade 1D CFD-simuleringarna, även om vissa avvikelser observeras i komplexa fallstudier. Det visas också att de kopplade simuleringarna är känsliga för numeriska inställningar och fysiska modeller, därför bör fallinställningen optimeras noggrant.

L'objectif principal de cette thèse est d'acquérir de nouvelles connaissances sur la structure tectonique et la lithosphérique de la région des Carpates et du bassin pannonien. Nous avons appliqué trois méthodes différentes: modélisation 1D,modélisation 2D géophysique intégrée et inversion 3D pour atteindre cet objectif. Ces méthodes sont similaires concernant les bases de données utilisées, mais diffèrent par le traitement et l'interprétation de données. Au début, nous avons appliqué la modélisation automatique 1D pour obtenir un premier aperçu de la région étudiée. Deuxièmement, nous avons appliqué la modélisation 2D intégré de la lithosphère qui combine l'interprétation du flux de chaleur,du géoïde, de la gravité et des données topographiques de la région des Carpates et du bassin pannonien et des régions avoisinantes. Cette approche est capable de contraindre des structures lithosphériques compliquées de la région étudiée mieux que l'interprétation de chaque donnée indépendamment. Nous présentons quatre modèles intégrés 2Dde la lithosphère dans la région des Carpates et du bassin pannonien et des régions avoisinantes. Enfin, sur la base de l'algorithme d'inversion 3D, nous présentons les modèles géophysiques de la lithosphère dans la région des Carpates et du bassin pannonien. L'algorithme calcule la structure de la densité lithosphèrique par l'inversion conjointe de la gravité, géoïde et données topographiques basé sur une approche bayésienne. Les modèles sont basés sur différents ensembles de données d'entrée et ils sont contraints par différentes données a priori. Sur la base de notre modélisation, nous ne pouvons pas confirmer l'amincissement extrême (moins de 70 km)de la lithosphère du bassin pannonien proposé par d'autres auteurs. D'autre part, les résultats montrent la tendance à l'augmentation de l'épaisseur lithosphérique de Carpates d'occidentales vers de Carpates de l'est ce que confirme les théories antérieures sur la propagation du processus de subduction. Nous avons obtenu des résultats controversés dans la région des Carpates du sud.Les résultats basés sur l'inversion 3D montrent une lithosphère extrêmement mince dans ce domaine mais les résultats basés sur la modélisation 2D intégrée ne supportent pas cet amincissement. Cependant, les deux méthodes indiquent qu'il est plausible que la plateforme Moésienne soit courbée et chevauchée sous les Carpates du sud. Dans le modèle 3D, le bord sud-est du bassin Pannonien montre une lithosphère inattendue et étonnamment mince. Puisque la zone est assez grande, nous pouvons exclure un effet de flexion, par conséquent, cette région pourrait être potentiellement intéressante pour une recherche plus approfondie. / The main aim of this thesis is to gain new knowledge about the lithospherical structure and tectonics of the Carpathian–Pannonian Basin region. We applied three different methods: 1Dautomatic modelling, 2D integrated geophysical modelling and 3D inversion to achieve this goal.These methods are similar concerning the used databases but differ by used processing andinterpretation. At first we apply 1D automatic modelling to get a very first overview of thestudied region. Secondly, we apply 2D integrated modelling of the lithosphere which combines the interpretation of surface heat flow, geoid, gravity, and topography data in the Carpathian–Pannonian Basin region and surrounding areas. This approach is able to constrain the complicated lithospheric structures of the studied region better than interpreting each data set onits own. We present four 2D integrated models of the lithosphere in the Carpathian–PannonianBasin region and surrounding areas. Finally, based on the 3D Inversion algorithm, we present the geophysical models of the lithosphere in the Carpathian–Pannonian region. The algorithm returns the density structure of the lithosphere from joint inversion of free air gravity, geoid andtopography data based on a Bayesian approach. The models are based on different input data sets and constrained by different a priori data. Based on our modelling we cannot confirm theextreme thinning (less than 70 km) of the Pannonian Basin lithosphere proposed by other authors.On the other hand, the results show the increasing trend of the lithospherical thickness of theCarpathian Arc from the Western Carpathians toward the Eastern Carpathians which confirms theprevious theories about the propagation of subduction process. We got some controversial resultsin the area of the Southern Carpathians. The results based on 3D inversion show extremely thinlithosphere in the area; on the other hand, the results based on 2D integrated modelling do notsupport such thinning. However both methods indicate that it is probable that the MoesianPlatform is bend and underthrusted underneath the Southern Carpathians. The south-eastern edge of the Pannonian Basin based on 3D inversion shows unexpected and surprisingly thinlithosphere. Since the area is quite large, we could exclude an effect of flexure, therefore this area might be potentially interesting for further investigation. / Hlavnou myšlienkou tejto práce bolo rozšírenie poznatkov o štruktúre a tektonike karpatsko–panónskej oblasti. Na výskum študovanej oblasti sme použili tri rôzne metódy, 1D automatickémodelovanie, 2D integrované geofyzikálne modelovanie a 3D inverziu. Tieto metódy sú podobnév zmysle použitých vstupných databáz, ale líšia sa spôsobom spracovania a interpretácie. Akoprvé sme aplikovali 1D automatické modelovanie, ktoré slúžilo ako prvý náhľad na študovanéúzemie. Ako druhé sme použili 2D integrované geofyzikálne modelovanie litosféry, ktorékombinuje interpretáciu povrchového toku, geoidu, tiažových anomálií a topografie v karpatsko–panónskej oblasti a okolitých tektonických jednotkách. Tento prístup k interpretácii je schopnývymedziť komplikované štrúktúry v litosfére lepšie, ako interpretácia každého jednéhogeofyzikálneho poľa samostatne. V tejto práci predstavíme štyri 2D integrované modely litosféryv karpatsko–panónskej oblasti a okolitých jednotiek. Ako posledné, predstavíme geofyzikálnemodely litosféry študovanej oblasti na základe modelovania použitím 3D inverzie. Algoritmus jeschopný vypočítať hustotnú distribúciu v litosfére na základe Bayesianského prístupu zospoločnej inverzie tiažovej anomálie na voľný vzduch, geoidu a topografie. Tieto modely súvypočítavané na základe rôznych vstupných datových setov a a priori informácií. Na základenášho modelovania nemôžeme potvrdiť extrémne stenčenie (menej ako 70 km) litosférypanónskej panvy. Na druhej strane naše výsledky poukazujú na narastajúci trend litosférickéhohrubnutia Karpatského oblúka od Západných Karpát smerom do Východných, čo potvrdzujepredchádzajúce teórie o postupnom procese subdukcie. V oblasti Južných Karpát sme dosiahliprotichodné výsledky. Výsledky získané na základe 3D inverzie poukazujú na extrémne stenčenúlitosféru na druhej strane 2D integrované modelovania takéto extrémne stenčenie v danej oblastinepodporuje. Napriek tomu je pravdepodobnejšie, že moezíjska platforma je ohnutá a podsunutápod Južné Karpaty. Ďalšia zaujímavá vec sa ukazuje v juhovýchodnej oblasti panónskej panvy,kde výsledky 3D inverzie odhaľujú taktiež výrazné stenčenie litosféry. Táto oblasť môže byťpotenciálne zaujímavá a bolo by vhodné ďalej pokračovať vo výskume danej oblasti.

Cette thèse présente des mesures de transport électronique dans des systèmes quasi-unidimensionnels (quasi-1D) sous champ magnétique intense. Deux systèmes différents présentant un confinement électrique quasi-1D ont été considérés: les peapods de carbone (C60@SWCNTs) et les nanofils d'InAs. L’objectif de ces travaux consiste à sonder les propriétés électroniques spécifiques de ces systèmes quasi-1D par les mesures de magnétotransport sur les nano-objets uniques. Dans les deux cas, les expériences sous champs magnétiques intenses ont été accompagnée par des caractérisations structurales et des mesures de conductance à champ magnétique nul.L'encapsulation de diverses molécules à l'intérieur de nanotubes de carbone (CNTs), comme par exemple les fullerènes C60, constitue une des voies prometteuses vers l'accordabilité de la conductance des CNTs. Parmi la grande variété des nanotubes de carbone remplis, les peapods représentent une structure hybride pionnière découvert en 1998. Depuis lors, leur structure électronique a fait l’objet d’études théoriques controversées avec un nombre limité de réalisations expérimentales. Dans cette thèse, les propriétés électroniques des peapods individuels ont été étudiés en combinant les mesures de spectroscopie micro-Raman et de magnétotransport sur les mêmes échantillons. Nous avons constaté que les C60 encapsulés modifient fortement la structure de bande électronique des nanotubes semi-conducteurs au voisinage du point de neutralité de charge. Cette modification comprend un déplacement rigide de la structure électronique et un remplissage partiel de la bande interdite. Nous avons aussi montré que l’excitation UV sélective des fullerènes conduit à une forte modification du couplage électronique entre les C60 et le CNT induite par la coalescence partielle des C60 et de leur distribution à l'intérieur du tube. Les résultats expérimentaux sont supportés par des simulations numériques de la densité d'états et de la conductance des nanotubes de carbone avec des fullerènes fusionnés à l'intérieur (K. Katin, M. Maslov).Les nanofils semiconducteurs (sc-NWs) font l'objet de recherches actives depuis ces dix dernières années. Ils représentent des systèmes modèles pour l’étude des propriété électronique objet quasi-1D. Ils représentent en outre des possibilités de modulation de la structure de bande aussi que de contrôle de la densité de porteurs. Dans ce domaine de recherche, les nanofils semi-conducteurs à base de composes III-V tel que InAs, ont une place particulière en raison de la faible masse effective des porteurs de charge. Nous avons étudié la conductance de nanofils individuels dans une large gamme de champs magnétiques (jusqu'à 60T). Les mesures en champ nul et en champ faible ont démontré un transport faiblement diffusif dans ces nanofils. Les mesures de transport sous champ magnétique intense ont révélé une forte chute de la conductance au dessus d'un champ critique qui s'élève clairement avec l'énergie de Fermi. Cet effet est interprété par la perte de canaux de conduction une fois que toutes les sous-bandes magnéto-électriques, décalés vers les hautes énergies par le champ magnétique, ont traversé l'énergie de Fermi. Les calculs de structure de bande préliminaires (Y-M. Niquet), en prenant en compte les confinements latéraux et magnétiques, sont en bon accord qualitatif avec les résultats observés dans le régime de champ magnétique intense. Ce résultat est la première observation des effets de structure de bande dans les expériences de magnéto-transport sur les sc-NWs / The scope of this thesis is related to the electronic properties of quasi 1D systems probed by high field magnetotransport. Two different systems exhibiting quasi-1D confinement have been considered: carbon C60 peapods (C60@SWCNTs) and InAs semiconductor nanowires. The magnetotransport measurements on single nano-objets have been used to investigate the specific electronic structure of these 1D systems. In both cases, the high magnetic fields experiments have been supported by structural characterisation and conductance measurements at zero field.The encapsulation of various molecules inside carbon nanotubes (CNTs), as for instance C60 fullerenes encapsulated in SWCNT, constitutes promising routes towards the tunability of the CNT conductance. Among the wide variety of filled CNTs, peapods represent a pioneer hybrid structure discovered in 1998. Since that time, their electronic structure has been subjected to intense and controversial theoretical studies together with a limited number of experimental realizations. In this thesis the electronic properties of individual fullerene peapods have been investigated by combining micro-Raman spectroscopy and magnetotransport measurements on the same devices. We bring evidence that the encapsulated C60 strongly modify the electronic band structure of semiconducting nanotubes in the vicinity of the charge neutrality point, including a rigid shift and a partial filling of the energy gap. In addition by playing with a selective UV excitation of the fullerene, we demonstrate that the electronic coupling between the C60 and the CNT is strongly modified by the partial coalescence of the C60 and their distribution inside the tube. The experimental results are supported by numerical simulations of the Density of States and the conductance of CNTs with coalesced fullerenes inside (K. Katin, M. Maslov).Semiconductor nanowires (sc-NWs) are being the subject of intense researches started a decade ago. They represent model systems for the exploration of the electronic properties inerrant to the quasi1-D confinement. Moreover they offer the possibility to play with band structure tailoring and carrier doping. In this direction III-V sc-NWs such as InAs NWs have played a particular role due to the small electron effective mass. We have studied the high magnetic field conductance of single nanowires. Prior to the high field measurements, the zero and low field investigations have demonstrated a weakly diffusive regime of the carrier transport in these wires. The high field investigations have revealed a drastic conductance drop above a critical field, which clearly rises with the Fermi energy. This effect is interpreted by the loss of conducting channels once all the magneto-electric subbands, shifted toward the high energy range by the magnetic field, have crossed the Fermi energy. Preliminary band structure calculations (Y-M. Niquet), taking into account the lateral and magnetic confinements, are in fairly good qualitative agreement with the observed result in the high field regime. This result is the first observation of band structure effects in magneto-transport experiments on sc-NWs

The Thesis is focused on the properties of self-organized nanostructures. Atomic and electronic properties of different systems have been investigated using methods of electron diffraction, scanning tunneling microscopy and photoelectron spectroscopy. Implementation of the STM technique (including design, construction, and tuning of the UHV experimental set-up) has been done in the framework of present work. This time-consuming work is reported to greater detail in the experimental part of this Thesis. <br><br> The scientific part starts from the study of quantum-size effects in the electronic structure of a two-dimensional Ag film on the supporting substrate Ni(111). Distinct quantum well states in the sp-band of Ag were observed in photoelectron spectra. Analysis of thickness- and angle-dependent photoemission supplies novel information on the properties of the interface. For the first time the Ni(111) relative band gap was indirectly probed in the ground-state through the electronic structure of quantum well states in the adlayer. This is particularly important for Ni where valence electrons are strongly correlated. Comparison of the experiment with calculations performed in the formalism of the extended phase accumulation model gives the substrate gap which is fully consistent with the one obtained by ab-initio LDA calculations. It is, however, in controversy to the band structure of Ni measured directly by photoemission. These results lend credit to the simplest view of photoemission from Ni, assigning early observed contradictions between theory and experiments to electron correlation effects in the final state of photoemission. <br><br> Further, nanosystems of lower dimensionality have been studied. Stepped surfaces W(331) and W(551) were used as one-dimensional model systems and as templates for self-organization of Au nanoclusters. Photon energy dependent photoemission revealed a surface resonance which was never observed before on W(110) which is the base plane of the terrace microsurfaces. The dispersion E(k) of this state measured on stepped W(331) and W(551) with angle-resolved photoelectron spectroscopy is modified by a strong umklapp effect. It appears as two parabolas shifted symmetrically relative to the microsurface normal by half of the Brillouin zone of the step superlattice. The reported results are very important for understanding of the electronic properties of low-dimensional nanostructures. <br><br> It was also established that W(331) and W(551) can serve as templates for self-organization of metallic nanostructures. A combined study of electronic and atomic properties of sub-monolayer amounts of gold deposited on these templates have shown that if the substrate is slightly pre-oxidized and the temperature is elevated, then Au can alloy with the first monolayer of W. As a result, a nanostructure of uniform clusters of a surface alloy is produced all over the steps. Such clusters feature a novel sp-band in the vicinity of the Fermi level, which appears split into constant energy levels due to effects of lateral quantization. <br><br> The last and main part of this work is devoted to large-scale reconstructions on surfaces and nanostructures self-assembled on top. The two-dimensional surface carbide W(110)/C-R(15x3) has been extensively investigated. Photoemission studies of quantum size effects in the electronic structure of this reconstruction, combined with an investigation of its surface geometry, lead to an advanced structural model of the carbide overlayer. <br><br> It was discovered that W(110)/C-R(15x3) can control self-organization of adlayers into nanostructures with extremely different electronic and structural properties. Thus, it was established that at elevated temperature the R(15x3) superstructure controls the self-assembly of sub-monolayer amounts of Au into nm-wide nanostripes. Based on the results of core level photoemission, the R(15x3)-induced surface alloying which takes place between Au and W can be claimed as driving force of self-organization. The observed stripes exhibit a characteristic one-dimensional electronic structure with laterally quantized d-bands. Obviously, these are very important for applications, since dimensions of electronic devices have already stepped into the nm-range, where quantum-size phenomena must undoubtedly be considered. <br><br> Moreover, formation of perfectly uniform molecular clusters of C₆₀ was demonstrated and described in terms of the van der Waals formalism. It is the first experimental observation of two-dimensional fullerene nanoclusters with "magic numbers". Calculations of the cluster potentials using the static approach have revealed characteristic minima in the interaction energy. They are achieved for 4 and 7 molecules per cluster. The obtained "magic numbers" and the corresponding cluster structures are fully consistent with the results of the STM measurements. / Die aktuelle Doktorarbeit ist auf die Eigenschaften von selbst-organisierten Nanostrukturen fokussiert. Die strukturellen und elektronischen Eigenschaften von verschiedenen Systemen wurden mit den Methoden Elektronenbeugung, Rastertunnelmikroskopie und Photoelektronenspektroskopie untersucht. Insbesondere wurde die fuer die Rastertunnelmikroskopie in situ praeparierter Proben eingesetzte Apparatur im Rahmen dieser Arbeit konstruiert und aufgebaut. Einzelheiten hierzu sind im experimentellen Kapitel zu finden. <br><br> Der wissenschftliche Teil beginnt mit Untersuchungen von Quantentrogeffekten in der elektronischen Struktur einer Ag-Schicht auf Ni(111)-Substrat. Charakteristische Quantentrogzustaende im Ag-sp-Band wurden in Photoelektronenspektren beobachtet. Die Analyse von schichtdicken- und winkelabhaengiger Photoemission hat neue und wesentliche Informationen ueber die Eigenschaften des Ag/Ni-Systems geliefert. Insbesondere konnte zum ersten Mal eine relative Bandluecke im Ni-Substrat durch das Verhalten der Quantentrogzustaende indirekt vermessen werden. Das ist fuer Ni besonders wichtig, weil es sich bei Ni um ein stark korreliertes Elektronensystem handelt. Die Ergebnisse wurden mit Rechnungen auf der Basis des erweiterten Phasenmodelles verglichen. Der Vergleich ergibt eine Bandluecke, die sehr gut mit ab-initio-Rechnungen auf Basis der lokalen Elektronendichte-Naehrung uebereinstimmen. Dennoch widersprechen die Daten der Ni-Bandstruktur, die direkt mit Photoemission gemessen wird. Diese Kontroverse zeigt deutlich, dass der Unterschied zwischen Theorie und Experiment Korrelationeffekten im Endzustand der Photoemission zugeordnet werden kann. <br><br> Des weiteren wurden Nanosysteme von noch niedrigerer Dimensionalitaet untersucht. Gestufte Oberflaechen W(331) und W(551) wurden als eindimensionale Modellsysteme fuer die Selbstorganisation von Au-Nanoclustern benutzt. Photonenenergieabhaengige Photoemission hat eine neue Oberflaechen-resonanz aufgedeckt, die auf der Basisebene der Terrassen dieser Systeme auftritt. Die Dispersion E(k) von diesem Zustand, die mit winkelaufgeloester Photoemission vermessen wurde, zeigt deutlich die Einwirkung von Umklapp-Effekten. Diese zeigen sich als zwei Parabeln, die relativ zu der Terrassennormale symmetrisch um die Haelfte der Oberflaechen-Brillouinzone verschoben sind. Die erzielten Ergebnisse sind sehr wichtig fuer das Verstaendnis der elektronischen Eigenschaften von eindimensionalen Nanostrukturen. <br><br> Ausserdem wurde gezeigt, dass W(331) und W(551) als Vorlage fuer selbstorganisierte metallische Nanostrukturen dienen koennen. Eine kombinierte Untersuchung von strukturellen und elektronischen Eigenschaften von unter-monolagen Mengen von Au auf diesen Substraten wurde durchgefuehrt. Es hat sich gezeigt, dass Au mit dem Substrat an der Oberflaeche legieren kann, wenn die Oberflaeche ein wenig oxidiert und die Temperatur erhoert ist. Als Folge formiert sich auf den Stufen eine Nanostruktur von gleichen (aber nicht regelmaessig verteilten) Nanoclustern aus dieser Au-W Legierung. Diese Oberflaechenlegierung bildet ein neuartiges sp-Band in der Naehe der Fermi-Kante. Zudem spaltet dieser neue elektronische Zustand in konstante Energieniveaus auf. Das beobachtete Phaenomen wird als laterale Quantisierung interpretiert. <br><br> Das letzte Kapitel dieser Doktorarbeit bildet auch den Hauptteil. Es handelt von Selbstorganisierungsphaenomenen auf einer Oberflaechenrekonstruktion und den Eigenschaften von so hergestellten Nanostrukturen. Das zweidimensionale Oberflaechen-Karbid W(110)/C-R(15x3) wurde intensiv untersucht. Beobachtete Quantentrogeffekte in der Photoemission in Kombination mit den Ergebnissen der Rastertunnelmikroskopuntersuchungen fuehren zu einem verbesserten Strukturmodell fuer das Oberflaechenkarbid. <br><br> Es wurde auch gezeigt, dass W(110)/C-R(15x3) die Selbstorganisierung von Nanostrukturen mit sehr verschiedenen elektronischen und strukturellen Eigenschaften steuern kann. Es wurde gefunden, dass bei erhoehter Temperatur die R(15x3)-Ueberstruktur die Bildung von Nanostreifen aus unter-monolagiger Au Bedeckung, von denen jede 1 nm breit ist, kontrolliert. Die hergestellten Nanostreifen besitzen eine charakteristische eindimensionale elektronische Struktur mit lateral quantisierten d-Baendern. Basierend auf der Photoemission von Rumpfniveaus wird eine Kohlenstoff-induzierte Oberflaechenlegierung zwischen Au und W als Grund fuer die beobachtete Organisierung vorgeschlagen. Solche Phaenomene sind sehr wichtig fuer Anwendungen, seit die Mikroelektronik in den nm-Massstab eingetreten ist, in welchem mit Quantentrogeffekten zu rechnen ist. <br><br> Zusaetzlich wurde die Bildung von perfekt uniformen molekularen Nanoclustern von C₆₀ auf W(110)/C-R(15x3) demonstriert. Dieses Phaenomen kann im van-der-Waals Formalismus beschrieben werden. Die berichteten Ergebnisse sind eine erstmalige experimentelle Beobachtung von zweidimensionalen Fulleren-Nanoclustern mit "magischen Zahlen". Berechnungen der Clusterpotentiale in der statischen Naeherung im Girifalco-Modell zeigen Minima der Wechselwirkungsenergie fuer Cluster aus 4 und 7 C₆₀-Molekuelen. Diese "magischen Zahlen" sowie die entsprechenden Clusterkonfigurationen sind vollkommen konsistent mit den Ergebnissen des STM-Experiments.

Ett stort antal av miljonprogrammets byggnader är idag i behov av renovering. Då många av dessa byggnader har en hög energiförbrukning kan det vara lönsamt att samtidigt energieffektivisera byggnaderna, bland annat genom tilläggsisolering. Det är av stor vikt att noggrant undersöka hur byggnaderna påverkas ur fukthänsyn innan nya fasadsystem tas i bruk för att undvika framtida fuktrelaterade skador.Syftet är att undersöka tre fasadsystem utifrån hur olika fuktbelastningar, väderstreck, tilläggsisoleringar och stommaterial påverkar ytterväggars fukttillstånd och risken för mikrobiell tillväxt. Även hur väl de olika fasadsystemen lämpar sig för att uppföras på en befintlig stomme i trä-, lättbetong- och betongstomme har undersökts. För att undersöka detta har fuktsimuleringar gjorts i fuktberäkningsprogrammet Wufi och resultaten har analyserats genom jämförelse av RF-kurvor samt riskbedömning för mögeltillväxt i Wufi Bio.En övergripande slutsats är bland annat att inläckage av slagregn är en stor belastning för fasadsystemen. Systemens fuktsäkerhet beror till stor del på dess förmåga att hantera inläckaget.Studien visar även att en fungerande ventilerad luftspalt, en god dränerande funktion eller en konstruktion med genomgående relativt ångöppna material har förmågan att hantera inläckage av slagregn effektivt. / A large number of buildings built under “miljonprogrammet” is today in need of renovation. With their high energy consumption it is also considered profitable to improve the buildings energy efficiency e.g. by additional insulation. It is however important to thoroughly evaluate potential damp issues that might arise as a result of these improvements before starting to implement a new building exterior.The aim of this study was to investigate three different façade systems based on how their moisture content and risk for mould growth are affected by different moisture loads, orientation, and additional insulation. Included is also a performance evaluation for each building exterior solution mounted on existing structure of wood, lightweight concrete and concrete structure. Damp simulations were done with the program Wufi and the results were then analysed by comparison to RF-curves in combination with risk assessments of the growth of mould with “Wufi Bio”.The overall conclusion shows that leakage due to torrential rain poses a great strain on building exterior systems. A solutions damp proof quality is largely dependent on its ability to withstand leakage from outer sources.The study also shows that a well ventilated cavity wall, sufficient drainage or a construction of exclusively vapour open materials has a positive impact on the amount of leakage.

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / Soils subjected to successive pig slurry (PS) amendments present zinc (Zn) and copper (Cu) increases, mostly on soil surface layer. The continuous application of PS causes accumulation of these heavy metals (HM) in soil, increasing risks for environmental contamination. Therefore, development of methods to estimate Zn and Cu accumulation in surface layer and their movement in soil is very important for the management planning of PS and of the agricultural soils amended with these residues. The main objective of this work was to model the vertical transport of Zn and Cu in profile of agricultural soils receiving successive application of PS at high, moderate and low doses, evaluating the effects of soil tillage and water absorption by roots on the movement of these HM. We also aimed to predict the long-term accumulation of HM in soil surface and their transport into groundwater, comparing estimated results with the threshold values established for agricultural soils and groundwater by the Conselho Nacional do Meio Ambiente (CONAMA). Two studies were performed on field experiments composed by different PS doses, the first located on an Alfisol in Santa Maria RS, and the second on an Oxisol in Campos Novos SC. Hydro-physical and chemical characteristics of these soils were measured and, accompanied by atmospheric and PS application data sets, were introduced into HYDRUS-1D for parameterization of the two-site model used. In the first study, simulations for next 100 years were performed under scenarios combining two PS doses and four time intervals between soil tillage of the arable layer. The solute transport model used on these simulations was already validated for this local soil in another study. In the second study, the validation of a solute transport model was carried out primarily, following the same approaches used for the Alfisol. Afterwards, root water uptake and root growth modules were introduced to the model. The future scenarios were simulated using applications of different PS doses during the next 50 years. The solute transport model previously validated for the Alfisol was also validated for the Oxisol, and the introduction of the root modules in HYDRUS-1D produced even better results. This increased the usefulness of the model for its use in simulations related to Zn and Cu transport on other contaminated soils. Future scenarios exhibit a great accumulation of these two HM in soil surface layer during the simulated times. Moreover, when soils are submitted to high PS annual doses, its Cu concentrations reached the maximum values established by CONAMA for agricultural soils in approximately 94 years on the Alfisol and in 29 years on the Oxisol. Reduction in PS doses and sporadic soil tillage are strategies that slow the increase of these HM concentrations in soil surface layer, decreasing so the environmental risks and making PS additions on agricultural soils viable for longer time. / Solos submetidos a sucessivas aplicações de dejeto líquido de suínos (DLS) apresentam incrementos nos seus teores de zinco (Zn) e cobre (Cu), principalmente na camada superficial. A continuidade dessa prática faz com que esses metais pesados (MP) se acumulem no solo, aumentando o potencial de contaminação do ambiente. Dessa forma, o desenvolvimento de métodos que estimem o acúmulo superficial e o movimento de Zn e Cu no solo é de extrema importância no planejamento do manejo dos DLS e dos solos agrícolas que recebem esses resíduos. O trabalho objetivou modelar o transporte vertical de Zn e Cu no perfil de solos agrícolas contaminados por aplicações sucessivas de altas, moderadas e baixas doses de DLS, avaliando o efeito do revolvimento do solo e da absorção de água pelas raízes no movimento desses MP, prevendo, no longo prazo, seus acúmulos na camada superficial do solo e suas transferências rumo ao lençol freático, confrontando os resultados estimados com os respectivos limites de concentração para solos agrícolas e águas subterrâneas estabelecidos pelo Conselho Nacional do Meio Ambiente (CONAMA). Foram realizados dois estudos em experimentos de campo com diferentes doses de DLS, o primeiro localizado sobre um Argissolo, em Santa Maria RS, e o segundo sobre um Latossolo, em Campos Novos SC. Diversas características físico-hídricas e químicas foram determinadas nesses solos para, juntamente com os dados atmosféricos e do histórico de aplicação de DLS nessas áreas, serem introduzidos no HYDRUS-1D para parametrização do modelo químico de dois sítios utilizado. No primeiro estudo foram realizadas simulações para os próximos 100 anos, considerando cenários combinando duas doses de DLS e quatro intervalos de tempo entre revolvimentos periódicos da camada arável do solo. O modelo de transporte de solutos utilizado nessas simulações já havia sido validado para o solo deste local em outro trabalho. No segundo estudo foi feita a validação de um modelo de transporte de solutos, seguindo as mesmas premissas do modelo utilizado no Argissolo. Posteriormente, módulos de absorção de água e crescimento de raízes foram incorporados ao modelo. Realizaram-se então simulações futuras de cenários considerando aplicações de diferentes doses de DLS durante os próximos 50 anos. O modelo de transporte de solutos validado previamente no Argissolo foi validado também no Latossolo, apresentando resultados ainda melhores quando os módulos de raízes foram introduzidos no HYDRUS-1D. Isso aumenta a abrangência desse modelo para simular o transporte de Zn e Cu em outros solos contaminados. Os cenários futuros mostram que ocorre grande acúmulo desses MP na camada superficial do solo durante os períodos simulados. Além disso, quando os solos são submetidos a altas doses anuais de DLS, as suas concentrações de Cu atingem os valores máximos estipulados pelo CONAMA, para solos agrícolas, em aproximadamente 94 anos no Argissolo e 29 anos no Latossolo. Reduzir as doses de DLS e revolver o solo esporadicamente são alternativas que retardam o aumento da concentração desses MP na camada superficial do solo, diminuindo o potencial de impacto ao ambiente e tornando a adição de DLS em áreas agrícolas viável por mais tempo.