Existing microstructure parameters of computed tomography (CT) are able to compute architectural properties of the bone from ex-situ and ex-vivo scans while they are highly affected by the issues of noise and low resolution when applied to clinical in-vivo imaging. A set of improvements of the standard workflow for the quantitative computation of micro-structure from clinical in-vivo scans is proposed in this thesis. Robust methods are proposed (1) for the calibration of density values, (2) the binarization into bone and marrow phase, (3) fuzzy skeletonization and (4) the calibration of the CT volumes in particular for the computation of micro-structural parameters. Furthermore, novel algorithms for the computation of rod-volume fraction with 3D rose diagrams and fractal approaches are proposed and the application of local texture operators to diffusion tensor imaging is proposed. Finally an existing computer program for the application in radiology departments, Structural Insight, was improved and largely extended. In particular the methods of the microstructural calibration, the fractal and the texture operators showed significant improvements of accuracy and precision for the prediction of fracture risk and the quantitative assessment of the progress of Alzheimer's disease, in comparison to existing state-of-the art methods. The methods were tested on artificial and in-vitro data and as well on real-world computed tomography and magnetic resonance imaging (MRI) studies. The proposed novel methods improve the computation of bone characteristics from in-vivo CT and MRI in particular if the methods are combined with each other. In consequence, this allows to assess more information from existing data or to conduct studies with less ray exposure and regarding the MRI method in shorter time than nowadays required.

A framework for assessing the key statistical parameters of complex flows in choosing appropriate turbulence prediction methods on a quantitative basis is developed. These parameters characterise flow/modelling matching conditions quantified in this work. Matching conditions are important in classifying complex turbulent flows in order to frame best practice for model predictions to inform computational aerodynamics design optimisation in the context of virtual test beds. In the incompressible low Reynolds number shear flows considered here, the boundaries of the 'conforming domain' within which turbulence models are valid need to be defined, based on basic mechanisms of turbulence, and the statistical parameters. This has led to a new guideline ‘localness map’ for standard model applications. Since the choice of turbulence model depends on the complexity of the flows considered, it is useful if systematic sets of the parameters indicate the type of flow. They are that of residence time, the degree of spatial non-locality, the straining, and the non-Gaussianity, each of which is appropriately normalised. It can be demonstrated that the quantified map, in particular that of localness for the shear flows, provides a firm foundation for evaluating a wider range of Underlying Flow Regimes, including locating the Underlying Flow Regimes on the generalised localness modeling map as a framework for best practice guidelines. This work produces 7 sets of quantitative localness-structural parameters, which are used as baseline sets for grouping the Underlying Flow Regimes, and hence it opens the possibility of having complete modelling maps for Application Challenges to assess the need for zonal modelling.

A framework for assessing the key statistical parameters of complex flows in choosing appropriate turbulence prediction methods on a quantitative basis is developed. These parameters characterise flow/modelling matching conditions quantified in this work. Matching conditions are important in classifying complex turbulent flows in order to frame best practice for model predictions to inform computational aerodynamics design optimisation in the context of virtual test beds. In the incompressible low Reynolds number shear flows considered here, the boundaries of the 'conforming domain' within which turbulence models are valid need to be defined, based on basic mechanisms of turbulence, and the statistical parameters. This has led to a new guideline ‘localness map’ for standard model applications. Since the choice of turbulence model depends on the complexity of the flows considered, it is useful if systematic sets of the parameters indicate the type of flow. They are that of residence time, the degree of spatial non-locality, the straining, and the non-Gaussianity, each of which is appropriately normalised. It can be demonstrated that the quantified map, in particular that of localness for the shear flows, provides a firm foundation for evaluating a wider range of Underlying Flow Regimes, including locating the Underlying Flow Regimes on the generalised localness modeling map as a framework for best practice guidelines. This work produces 7 sets of quantitative localness-structural parameters, which are used as baseline sets for grouping the Underlying Flow Regimes, and hence it opens the possibility of having complete modelling maps for Application Challenges to assess the need for zonal modelling.

Cette thèse explore l'influence des contraintes et des paramètres structurels sur la sensibilité au vieillissement de la céramique à base de zircone. Il traite d'abord de l'influence des contraintes externes (appliquées) et des contraintes internes (résiduelles). Des contraintes extérieures sont appliquées par des tests de flexion in situ, tandis que des contraintes internes sont obtenues en contrôlant la microstructure des composites d'alumine durcis à la zircone. Le comportement de vieillissement de différents matériaux (3Y-TZP, 4Y-TZP et ZTA) est étudié par diffraction des rayons X (XRD) et spectroscopie Micro-Raman. Le résultat principal est l'influence principale des contraintes résiduelles sur les contraintes appliquées, principalement dans les matériaux de zircone. Il détruit alors l'effet de différents paramètres microstructuraux sur la cinétique du vieillissement. 3Y-TZP échantillons de même composition nominale mais différentes microstructures (caractérisées par leur taille de grain, la teneur en Y2O3 en phase tétragonale et la proportion de phase cubique) sont obtenues en utilisant différents procédés de frittage (frittage en deux étapes ou frittage normal pour différents temps et à différents moments Températures). En utilisant deux modèles semi-empiriques, on peut d'abord quantifier la relation entre la microstructure et les paramètres de traitement, puis la relation entre la cinétique du vieillissement et la microstructure. Enfin, il qualifie différents traitements de surface pour améliorer la résistance au vieillissement de 3Y-TZP. Les échantillons 3Y-TZP sont recuits sur des poudres de différentes compositions (TZ3YE, TZ4YS, 12ceTZP) et leur comportement de vieillissement est comparé. Les résultats montrent qu'une amélioration significative de la résistance au vieillissement peut être atteinte à 134 °C, sans compromettre la ténacité, mais ce gain n'est pas toujours valable à température ambiante ou corporelle. Étant donné que cette thèse traite de nombreux matériaux et des temps de vieillissement très long (jusqu'à plusieurs milliers d'heures), il était essentiel d'accélérer les tests de vieillissement et de réduire le nombre d'échantillons. Ainsi, nous avons mis en place une méthode rapide permettant d'accéder à l'énergie d'activation du vieillissement, avec une réduction de dix fois de la durée des études vieillissantes (présenté en annexe). / This thesis explores the influence of stresses and structural parameters on the sensitivity to ageing of zirconia-based ceramics. It first addresses the influence of both external (applied) stresses and internal (residual) stresses. External stresses are applied by in-situ bending tests, while internal stresses are obtained by controlling the microstructure of zirconia-toughened alumina composites. The ageing behavior of different materials (3Y-TZP, 4Y-TZP and ZTA) is investigated by X-ray diffraction (XRD) and Micro-Raman spectroscopy. The main result is the primary influence of residual stresses over applied stresses, mainly in zirconia materials. It then discriminates the effect of different microstructural parameters on the ageing kinetics. 3Y-TZP samples of same nominal composition but different microstructures (characterized by their grain sizes, content of Y2O3 in tetragonal phase and proportion of cubic phase) are obtained by using different sintering processes (two step sintering or normal sintering for different times and at different temperatures). Using two semi-empirical models, we are first able to quantify the relation between microstructure and processing parameters, and then the relation between ageing kinetics and microstructure. Finally it qualifies different surface treatments to improve the ageing resistance of 3-TZP. 3Y-TZP samples are annealed on powders of different compositions (TZ3YE, TZ4YS, 12ceTZP) and their ageing behavior are compared. The results show that a significant improvement of the ageing resistance can be reached at 134°C, without compromising the toughness, however this gain is not always valid at room or body temperature. Since this thesis deals with many materials and very long ageing times (up to several thousand hours), it was crucial to accelerate ageing tests and reduce the number of samples. Thus we set up a fast method enabling access to the activation energy of ageing, with a tenfold reduction in the duration of the ageing studies (presented in the appendix).

Deutsch: Die vorliegende Arbeit beinhaltet die kombinatorische Synthese sowie biomedizinische Aspekte von neuen, lipophilisierten Nucleosiden (Nucleolipiden) als small molecules. Für die Synthesen wurden sowohl Nucleosid-Metabolite als auch -Antimetabolite lipophilisiert. Als Lipidreste wurden natürlich vorkommende Verbindungen, wie azyklische Terpene und (a)symmetrische Ketone verwendet. Diese wurden am O-2‘,3‘-cis-glycosidischen Rest oder an der N(3)-Position von β-D-Pyrimidinen oder an der N(1)-Position von β-D-Purinen eingeführt. Die Einführung der Reste erfolgte durch Ketalisierung der glyconischen Hydroxylgruppen oder durch direkte Alkylierung sowie durch Dimroth-Umlagerung des Aglycons. Zusätzlich wurden in weiteren Reaktionen ausgewählte Nucleolipide in 2-(Cyanoethyl)phosphoramidit für die automatische DNA-Festphasensynthese von Oligo-nucleotiden umgewandelt. Diese wurden für eine Reihe von Penetrationsversuchen hinsichtlich ihres Einlagerungs-und Penetrationsverhaltens in eine künstliche Lipidmembran untersucht und untereinander verglichen. Die synthetisierten Nucleolipide wurden NMR-spektroskopisch im Hinblick auf die strukturellen Parameter (1) Zuckerpucker (3’T2‘⇌3’T2‘) und (2) die Konformation um die exozyklische C(4‘)-C(5‘)-Bindung (γ+(g)⇌γt⇌γ-(g)) charakterisiert. Außerdem wurden die Nucleolipide hinsichtlich ihrer biologischen Aktivität in in vitro-Tests auf humane, differenzierte THP-1-Makrophagen bezüglich des Immunoeffekts und auf eine Rattengliom- sowie einer humanen Gliom-Zellline bezüglich der Antitumoraktivität getestet. English: The thesis comprises the combinatorial synthesis and biomedicinal aspects of novel lipophilized nucleosides (Nucleolipids) as small molecules. Nucleoside-metabolites, as well as -antimetabolites, were used for the lipophilization. The chemical structure of the lipid residues resembles naturally-occurring compounds, namely acyclic terpenes, and (a)symmetric ketones. They are positioned either at the O-2’,3’-cis-glyconic moiety or at the N(3) of β-D-pyrimidines or N(1) of β-D-purines. The introduction of the lipophilic residues was performed either by ketalization of the glyconic hydroxyls or by direct alkylation as well as by Dimroth rearrangement at the N-alkylated aglycone. Additionally, selected nucleolipids were further converted to 2-(cyanoethyl) phosphoramidites as building blocks for automated solid phase nucleic acid synthesis. The latters were used for the preparation of a series of lipo-oligonucleotides which were studied with respect to their immobilization within artificial lipid bilayers and compared concerning immobilization rate and stability. The resulting nucleolipids were characterized with respect to the structural parameters (1) the sugar pucker (3’T2‘⇌3’T2‘) as well as (2) the conformation around the exocyclic C(4’)-C(5’)-bond (γ+(g)⇌γt⇌γ-(g)) by 1H-NMR-spectroscopy. Moreover, the biological activity of the nucleolipids was tested in-vitro on human, differentiated THP-1-macrophages for the immunoeffect and towards the rat gliom cell line BT4Ca as well as a human gliom (GOS-3) for anticancer activity.

In the present study, a neoclassical general equilibrium model is developed to study the dualistic economic development of a predominantly agrarian economy, Bangladesh. Quantitative analysis is undertaken in order to make assessments of several development strategies within the framework of the model. The linkages between the agricultural (rural) and the manufacturing (urban) sectors via the output and labour markets are incorporated in the model and empirical analysis. In specifying the aggregate relations in the model especially those of the rural sector, the analysis is based on the microeconomic relations of a 'representative peasant household'. The approach is to first estimate the structural parameters of the model (simultaneous system) and then to perform simulation exercises. These simulations permit us to move beyond the restrictions of growth theory, since the direction of influences on different variables and their quantitative dimensions may be assessed. The aim is to determine the differential impact of exogenous investments and related public policy measares on the two sectors, especially on the level of employment, output and wages. Within a disequilibrium growth process which allows for differences in wages in the two sectors, the impact of rural-urban migration of people on the economy of Bangladesh and its policy implications are assessed. The policy simulations suggest that strategies which favour agricultural rather than industrial development have a more positive impact on output, employment, and the reduction of rural-to-urban migration of people. / Thesis / Doctor of Philosophy (PhD)

An innovative approach for characterization of one dimensional Photonic Band Gap structures comprised of metallic inclusions (i.e. subwavelength dipole elements or resonant ring elements) is presented. Through an efficient S- to T-parameters conversion technique, a detailed analysis has been performed to investigate the variation of the dispersion characteristics of 1-D PBG structures as a function of the cell element configuration. Also, for the first time, the angular sensitivity of the structure has been studied in order to obtain the projected band diagrams for both TE and TM polarizations. Polarization sensitivity of the subwavelength cell element is exploited to propose a novel combination of elements which allows achieving PBGs with simultaneous frequency and polarization selectivity. The proposed approach demonstrates that the dispersion characteristic of each orthogonal polarization can be independently adjusted with dipole elements parallel to that same polarization. Generally, the structure has potential applications in orthomode transducer, and generally whenever the polarization of the incoming signal is to be used as a means of separating it from another signal in the same frequency band that is of orthogonal polarization. The current distribution and the resonance behavior of the ring element is studied and the effect of resonance on dispersion characteristics of 1-D PBGs composed of rings is investigated for the first time, for both individual and coupled rings. Interestingly, it is observed that 1-D PBG composed of resonant elements consistently has a bandgap around the resonant frequency of the single layer structure.

An innovative approach for characterization of one dimensional Photonic Band Gap structures comprised of metallic inclusions (i.e. subwavelength dipole elements or resonant ring elements) is presented. Through an efficient S- to T-parameters conversion technique, a detailed analysis has been performed to investigate the variation of the dispersion characteristics of 1-D PBG structures as a function of the cell element configuration. Also, for the first time, the angular sensitivity of the structure has been studied in order to obtain the projected band diagrams for both TE and TM polarizations. Polarization sensitivity of the subwavelength cell element is exploited to propose a novel combination of elements which allows achieving PBGs with simultaneous frequency and polarization selectivity. The proposed approach demonstrates that the dispersion characteristic of each orthogonal polarization can be independently adjusted with dipole elements parallel to that same polarization. Generally, the structure has potential applications in orthomode transducer, and generally whenever the polarization of the incoming signal is to be used as a means of separating it from another signal in the same frequency band that is of orthogonal polarization. The current distribution and the resonance behavior of the ring element is studied and the effect of resonance on dispersion characteristics of 1-D PBGs composed of rings is investigated for the first time, for both individual and coupled rings. Interestingly, it is observed that 1-D PBG composed of resonant elements consistently has a bandgap around the resonant frequency of the single layer structure.

An innovative approach for characterization of one dimensional Photonic Band Gap structures comprised of metallic inclusions (i.e. subwavelength dipole elements or resonant ring elements) is presented. Through an efficient S- to T-parameters conversion technique, a detailed analysis has been performed to investigate the variation of the dispersion characteristics of 1-D PBG structures as a function of the cell element configuration. Also, for the first time, the angular sensitivity of the structure has been studied in order to obtain the projected band diagrams for both TE and TM polarizations. Polarization sensitivity of the subwavelength cell element is exploited to propose a novel combination of elements which allows achieving PBGs with simultaneous frequency and polarization selectivity. The proposed approach demonstrates that the dispersion characteristic of each orthogonal polarization can be independently adjusted with dipole elements parallel to that same polarization. Generally, the structure has potential applications in orthomode transducer, and generally whenever the polarization of the incoming signal is to be used as a means of separating it from another signal in the same frequency band that is of orthogonal polarization. The current distribution and the resonance behavior of the ring element is studied and the effect of resonance on dispersion characteristics of 1-D PBGs composed of rings is investigated for the first time, for both individual and coupled rings. Interestingly, it is observed that 1-D PBG composed of resonant elements consistently has a bandgap around the resonant frequency of the single layer structure.

In der klassischen Komplexitätstheorie unterscheiden wir zwischen der Klasse P von in Polynomialzeit lösbaren Problemen, und der Klasse NP-schwer von Problemen bei denen die allgemeine Annahme ist, dass diese nicht in Polynomialzeit lösbar sind. Allerdings sind viele Probleme, die wir lösen möchten, NP-schwer. Gleichzeitig besteht eine große Diskrepanz zwischen den empirisch beobachteten und den festgestellten worst-case Laufzeiten. Es ist bekannt, dass Vorverarbeitung oder Datenreduktion auf realen Instanzen zu Laufzeitverbesserungen führt. Hier stoßen wir an die Grenze der klassischen Komplexitätstheorie. Der Fokus dieser Arbeit liegt auf Vorverarbeitungsalgorithmen für NP-schwere Probleme. Unser Ziel ist es, bestimmte Instanzen eines NP-schweren Problems vorverarbeiten zu können, indem wir die Struktur betrachten. Genauer gesagt, für eine gegebene Instanz und einen zusätzlichen Parameter l, möchten wir in Polynomialzeit eine äquivalente Instanz berechnen, deren Größe und Parameterwert nur durch eine Funktion im Parameterwert l beschränkt ist. In der parametrisierten Komplexitätstheorie heißen diese Algorithmen Kernelisierung. Wir werden drei NP-schwere Graphenprobleme betrachten, nämlich Vertex Cover, Edge Dominating Set und Subset Feedback Vertex Set. Für Vertex Cover werden wir bekannte Ergebnisse für Kernelisierungen vereinheitlichen, wenn der Parameter die Größe einer Entfernungsmenge zu einer gegebenen Graphklasse ist. Anschließend untersuchen wir die Kernelisierbarkeit von Edge Dominating Set. Es stellt sich heraus, dass die Kernelisierbarkeit deutlich komplexer ist. Dennoch klassifizieren wir die Existenz einer polynomiellen Kernelisierung, wenn jeder Graph in der Graphklasse eine disjunkte Vereinigung von konstant großen Komponenten ist. Schließlich betrachten wir das Subset Feedback Vertex Set Problem und zeigen, dass es eine randomisierte polynomielle Kernelisierung hat, wenn der Parameter die Lösungsgröße ist. / In classical complexity theory, we distinguish between the class P, of polynomial-time solvable problems, and the class NP-hard, of problems where the widely-held belief is that we cannot solve these problems in polynomial time. Unfortunately, many of the problems we want to solve are NP-hard. At the same time, there is a large discrepancy between the empirically observed running times and the established worst-case bounds. Using preprocessing or data reductions on real-world instances is known to lead to huge improvements in the running time. Here we come to the limits of classical complexity theory. In this thesis, we focus on preprocessing algorithms for NP-hard problems. Our goal is to find ways to preprocess certain instances of an NP-hard problem by considering the structure of the input instance. More precisely, given an instance and an additional parameter l, we want to compute in polynomial time an equivalent instance whose size and parameter value is bounded by a function in the parameter l only. In the field of parameterized complexity, these algorithms are called kernelizations. We will consider three NP-hard graph problems, namely Vertex Cover, Edge Dominating Set, and Subset Feedback Vertex Set. For Vertex Cover, we will unify known results for kernelizations when parameterized by the size of a deletion set to a specified graph class. Afterwards, we study the existence of polynomial kernelizations for Edge Dominating Set when parameterized by the size of a deletion set to a graph class. We point out that the existence of polynomial kernelizations is much more complicated than for Vertex Cover. Nevertheless, we fully classify the existence of polynomial kernelizations when every graph in the graph class is a disjoint union of constant size components. Finally, we consider graph cut problems, especially the Subset Feedback Vertex Set problem. We show that this problem has a randomized polynomial kernelization when the parameter is the solution size.