This work is about the reaction around both isomeres of formylcations, formylcation (HCO+) and isoformylcation (HOC+). In interstellar chemistry these isomeres are of significant importance: radio astronomic measurements have detected the metastabil isomere HOC+ in present of the stabil isomere HCO+ in many objects. The HOC+ was found in photon dominated regions like (SgrB2, NGC 7538 und NGC 2024) as well as in dense clouds like DR21 (OH), W51M, W3 (OH), Orion (3N, 1E)). The ratecoefficiants for reactions forming both isomeres have been measured. Further more the ratecoefficiant for the isomerisation of isoformyl (HOC+) with molecular hydrogen has been measured at 25 K. / In der vorliegenden Arbeit werden Untersuchungen zu dem Ionensystem Formylkationen (HCO+) / Isoformylkationen (HOC+) vorgestellt. In der interstellaren Chemie kommt diesen Isomeren eine hohe Bedeutung zu: neuere radioastronomische Beobachtungen haben das metastabile Ion HOC+ in Anwesenheit des stabilen Isomers HCO+ in einer Vielzahl von interstellaren Umgebungen nachgewiesen. Das HOC+ - Isomer ist in signifikanter Dichte sowohl in Photon - dominierten Gebieten (wie z.B. SgrB2, NGC 7538 und NGC 2024) als auch in Dichten Molekularen Wolken (wie z.B. DR21 (OH), W51M, W3 (OH), Orion (3N, 1E), Orion KL, und G34.3) festgestellt worden. Es konnten die Ratenkoeffizienten für die Bildungsreaktionen beider Isomere bestimmt werden. Des weiteren konnte die Isomerisierung von Isoformylkationen (HOC+) mit Wasserstoff (H2) bei 25 K estimmt werden.

Gegenstand dieser Arbeit ist die Herstellung und Charakterisierung von metall-organisch deponierten (MOD) Pufferschichten für den Hochtemperatursupraleiter YBa2Cu3O7 . Dazu wurde die Texturbildung in CeO2, Gd-dotiertem CeO2 (CGO) und Yttrium-stabilisiertem Zirkondioxid (YSZ) durch epitaktisches Wachstum auf YSZ-Substraten verschiedener Rauhigkeit und Textur untersucht. Nach Deposition der Precursorlösung (Ce-Acetylacetonat in einem Essigsäure/iso-Propanolgemisch) mittels Spin-coating wurden die Proben in einer Ar/H2-Athmosphäre bzw. an Luft bei 700-1300°C ausgelagert, wobei zunächst ein nanokristallines Gefüge entsteht.Nach Bildung einer epitaktischen Keimschicht an der Substratoberfläche konkurrieren während des weiteren Wachstums Kornvergröberung in der polykristallinen Deckschicht und epitaktisches Schichtwachstum miteinander. Die treibende Kraft für beide Prozesse resultiert dabei aus der hohen Korngrenzenergiedichte des nanokristallinen Precursorgefüges. Das Schichtwachstum wurde u.a. mit Röntgenverfahren und RHEED (Reflection High Energy Electron Diffraction) verfolgt. Eine biaxiale Textur wurde mit Röntgenverfahren im Falle des CGO auf YSZ-(001)-Einkristallen schon bei Auslagerungstemperaturen von ca. 790°C beobachtet, während eine epitaxiefähige Oberfläche erst bei Temperaturen von 1200-1300°C auftrat. Bei Auslagerungstemperaturen von 790°C verhindert eine untexturierte Deckschicht in der MOD-Schicht ein epitaktisches Anwachsen des YBa2Cu3O7.Die Untersuchung des Wachstumsverhaltens auf technischen IBAD(Ion-Beam-Assisted-Deposition)-YSZ Substraten ergab, daß die Oberflächenrauhigkeit die maßgebliche Einflussgröße ist, die die Erhöhung der mit Röntgenmethoden gemessenen optimalen Auslagerungsbedingungen bestimmt.Die Eignung der mit MOD hergestellten Pufferschichten als Substrat für ein biaxiales Aufwachsen der supraleitenden Schicht wurde durch die hohen Stromtragfähigkeiten nachgewiesen, die in den supraleitenden Filmen erreicht wurden.

The origin of the Mixed Glass Former Effect (MGFE) is studied, which manifests itself in a non-monotonic behavior of the activation energy for long-range ion transport as a function of the mixing ratio of two glass formers. Two theoretical models are developed, the mixed barrier model and the network unit trap model, which consider different possible mechanisms for the occurrence of the MGFE. The mixed barrier model is based on the assumption that energy barriers are reduced for ionic jumps in regions of mixed composition. By employing percolation theory it is shown that this mechanism can successfully account for the behavior of the activation energy in various ion conducting mixed glass former glasses. The network unit trap model is based on the fact that a variety of network forming units, the so-called Q(n) species, can be associated with one glass former. Using a thermodynamic approach, the change of the concentration of these units in dependence of ionic concentration and the glass former mixing ratio is successfully predicted for alkali borate, phosphate and borophosphate glasses. In a second step, the charge distribution of the various units is considered and related to it, the binding energies to alkali ions. This gives rise to a modeling of the ionic transport in an energy landscape that changes in a defined manner with the glass former mixing ratio. Kinetic Monte Carlo simulations for alkali borophosphate glasses, which serve as a representative system for the MGFE in the literature, demonstrate that this approach succeeds to predict the behavior of the activation energy. In a further part of the thesis, Reverse Monte Carlo (RMC) simulations for the atomic structure of sodium borophosphate glasses are carried out with X-ray and neutron diffraction data as further input from experiments. Three-dimensional structures could be successfully generated that are in agreement with all experimental and theoretical constraints. Volume fractions of the ionic conduction pathways determined from these structures, however, do not show a substantial relationship to the activation energy, as earlier proposed in the iterature for alkali borate and alkali phosphate glasses.

We present a novel approach to the investigation of transport coefficients in condensed matter systems, which is based on a pertinent time-convolutionless (TCL) projection operator technique. In this context we analyze in advance the convergence of the corresponding perturbation expansion and the influence of the occurring inhomogeneity. The TCL method is used to establish a formalism for a consistent derivation of a Boltzmann equation from the underlying quantum dynamics, which is meant to apply to non-ideal quantum gases. We obtain a linear(ized) collision term that results as a finite non-singular rate matrix and is thus adequate for further considerations, e.g., the calculation of transport coefficients. In the work at hand we apply the provided scheme to numerically compute the diffusion coefficient of an atomic wire and especially analyze its dependence on certain model properties, in particular on the width of the wire.

A new approach to obtain visible luminescence from sol-gel derived SiOC films is proposed. This novel method is based on a simple processing route to produce nanostructured multicomponent ceramics. According to this route, hybrid sol-gel derived precursors are converted to ceramic materials by a pyrolysis process in controlled atmosphere at 800-1000°C. Higher temperatures lead to formation of Si-rich SiOC, C-rich SiOC or stoichiometric SiOC according to the starting composition. The final composition, which is relevant to line emission, can be easily controlled through a number of processing parameters like the composition of the preceramic gel and the heat treatment conditions. Thus, this new processing method seems very well suited for the production of white emitting materials since the Si- and C-based emission can be tuned across the visible spectral range from UV-blue to red by controlling film composition. A further advantage of this method is that the thin films can be formed on Si or quartz wafers and this can serve as starting material to process more complex photonic devices such as waveguides or LEDs. In the amorphous state (800-100°C), all SiOC films showed UV-blue luminescence peaking at about 410 nm, which is attributed to defect states present in the matrix such as dangling bonds. The increase of the pyrolysis temperature (≥1100°C) led to the partition of SiOC and formation of SiC, C and Si phases. The intense green-yellow luminescence observed in stoichiometric SiOC films caused by the presence of SiC and very low amount of free C. On the other hand, Si rich SiOC film showed a very broad and extremely intense white luminescence peak centred at 620 nm covering almost all visible range (430 nm-900 nm) at 1200 °C. This behaviour is explained by the simultaneous presence of SiC, C and Si in the film. External quantum efficiency measurements yielded 11.5% and 5% efficiencies in Si rich SiOC and stoichiometric SiOC films, respectively, pyrolysed at 1200°C. On the other hand, C rich SiOC films did not show any noticeable improvement in PL, indicating that C excess in the SiOC system is detrimental for the luminescence behaviour. Solutions which used in thin film production have been characterized extensively by means of several characterization properties. Moreover, the related powders and bulks have been characterized for the sake of coherency and widen the study. In addition, a study on volumetric shrinkage of films and powders has been done. The results showed that the shrinkage in films happens almost 200°C earlier than powder and higher amount of siloxane release due to the low dimension, the shrinkage is higher than powders. The last part of the study dedicated to two different systems, SiBOCs and SiOCNs, in order to understand the effect of the boron addition on SiOC system and study the optical properties of the SiOCN. Tunable (color emission change) SiOC films is obtained with high quantum efficiency by adding very few amount of boron in SiOC. Moreover, the processing temperature is decreased and very broad emission is obtained. Finally, results showed that SiOCN PDC gives very high emission in UV range and they are promising materials for UV-LEDs.

This thesis develops a computationally efficient way of employing Gaussian wave packets to study laser-induced electron dynamics in atomic and molecular systems by directly solving the time-dependent Schrödinger equation (TDSE). First, we investigate charge migration (treating the nuclei classically), high-order harmonic generation (HHG), and single-isolated attosecond pulse generation in the Hydrogen molecular ion subjected to intense laser fields in a different range of frequencies with a basis of static coherent states (SCS). Then, seeking for a smarter way of constructing and guiding a minimal set of time-dependent basis functions, we introduce a fast and accurate approach for optimizing s-type Gaussian type orbitals (GTOs) and apply it to calculate electronic states of different 1D and 3D time-independent systems. Finally, we apply our optimization approach to time-dependent problems. With our approach we obtain excellent agreement with the exact results for HHG spectra of the 1D Hydrogen atom and molecular ion exposed to intense laser fields, which is not possible even with a much larger basis of static s-type GTOs. / Diese Arbeit sucht nach einem computereffizienten Ansatz für die Verwendung von Gaußschen Wellenpaketen zur Untersuchung der Quantenelektronendynamik in atomaren und molekularen laserinduzierten Systemen durch direkte Lösung der zeitabhängigen Schrödingergleichung (TDSE). Beginnend mit statischen kohärenten Zuständen (SCS) untersuchen wir die Ladungsmigration (wobei wir die Kerne klassisch behandeln), die Erzeugung von Oberwellen höherer Ordnung (HHG) und die Erzeugung von isolierten Attosekundenimpulsen im 3D-Wasserstoffmolekül-Ion \ih, das intensiven Laserfeldern in einem unterschiedlichen Frequenzbereich ausgesetzt ist. Auf der Suche nach einer intelligenteren Methode zur Konstruktion und Führung eines minimalen Satzes von Basisfunktionen stellen wir einen schnellen und genauen Ansatz zur Optimierung von Gauß-Orbitalen (GTOs) vom s-Typ vor und wenden ihn erfolgreich zur Berechnung gewünschter elektronischer Zustände verschiedener 1D- und 3D-Quantensysteme an. Letztendlich erweitern wir unseren Optimierungsansatz auf zeitabhängige Szenarien. Wir demonstrieren, wie diese Methode eine ausgezeichnete Übereinstimmung mit den exakten Ergebnissen in den HHG-Spektren des 1D-Wasserstoffatoms und des 1D-\ih, die intensiven Laserfeldern ausgesetzt sind, erzielt, wo die nicht optimierten s-Typ GTOs nicht übereinstimmen, selbst nach den ersten paar Harmonien im Plateaubereich.

Due to an increasing attention to environment preservation and the need to accomplish new regulations, a general interest to improve the recyclability of composite materials has recently emerged. In order to fulfill this new requirements, a possible strategy could be represented by the development of so-called "single polymer composites" (SPCs), i.e. composite materials in which both matrix and reinforcement have the same chemical composition. The main advantage of SPCs is that, unlike traditional heterogeneous composites (such as glass- or carbon reinforced polymer composites), they can be entirely melted down at the end of the product life for recycling. After an optimization of the annealing treatment to improve the mechanical properties and thermal stability of the reinforcing phase, SPCs containing Vectran® micro- and nano- fibers as a reinforcement were prepared, and their thermo-mechanical properties and recyclability were investigated using a multidisciplinary approach. Single polymer micro composites (SPMCs) containing up to 30 wt% of reinforcing microfibers showed a outstanding improvement of tensile modulus (up to 160 %) compared with the unfilled matrix. FESEM observations evidenced some pull-out phenomena, indicating a poor interfacial adhesion. After a surface treatment on the reinforcement, a composite containing up to 20 wt% showed a remarkable improvement of almost 180% in the tensile modulus compared with the unfilled matrix. FTIR and thermal analysis evidenced its recyclability. Single polymer nano composites (SPNCs) containing up to 10 vol% of reinforcing nanofibers showed an increase by almost 20% of their tensile modulus and strength in comparison with the unfilled matrix. Optical observations revealed a consolidation problem in the unfilled matrix due to the adapted film-stacking process used. However, the addition of the nanofibers in the composite eliminated the problem. Thermal analysis was used to ensure the SPNCs recyclability. Vectran® single polymer micro- and nano- composites have been proven to be possible candidates to substitute traditional heterogeneous composites materials, with enhanced recyclability features.

This article provides a review of the recent development of biomimicking behaviors in active colloids. While the behavior of biological microswimmers is undoubtedly influenced by physics, it is frequently guided and manipulated by active sensing processes. Understanding the respective influences of the surrounding environment can help to engineering the desired response also in artificial swimmers. More often than not, the achievement of biomimicking behavior requires the understanding of both biological and artificial microswimmers swimming mechanisms and the parameters inducing mechanosensory responses. The comparison of both classes of microswimmers provides with analogies in their dependence on fuels, interaction with boundaries and stimuli induced motion, or taxis.

Die konforme Feldtheorie findet in verschiedenen Bereichen Anwendungen, von statistischen Systemen in der Nähe kritischer Punkte bis hin zur Quantengravitation durch die AdS/CFT-Korrespondenz. Diese Theorien unterliegen starken Einschränkungen, die eine systematische nicht-perturbative Analyse ermöglichen. Konforme Defekte bieten eine kontrollierte Möglichkeit, die Symmetrie zu brechen und neue physikalische Phänomene einzuführen, während wichtige Vorteile der zugrunde liegenden konformen Symmetrie erhalten bleiben. Diese Dissertation untersucht konforme Liniendefekte sowohl im schwachen als auch im starken Kopplungsregimes. Es werden zwei verschiedene Klassen von Modellen untersucht. Wir konzentrieren uns zuerst auf die supersymmetrische Wilson-Linie in N = 4 Super Yang-Mills, die als ideales Testfeld für die Entwicklung innovativer Techniken wie dem analytischen konformen Bootstrap dient. Die zweite Klasse besteht aus magnetische Linien in Yukawa-Modellen, die faszinierende Anwendungen in 3d kondensierten Materiesystemen haben. Diese Systeme haben das Potenzial, Phänomene des Standardmodells in einem Niedrigenergieszenario nachzubilden. / Conformal field theory finds applications across diverse fields, from statistical systems at criticality to quantum gravity through the AdS/CFT correspondence. These theories are subject to strong constraints, enabling a systematic non-perturbative analysis. Conformal defects provide a controlled means of breaking the symmetry, introducing new physical phenomena while preserving crucial benefits of the underlying conformal symmetry. This thesis investigates conformal line defects in both the weak- and strong-coupling regimes. Two distinct classes of models are studied. First, we focus on the supersymmetric Wilson line in N = 4 Super Yang–Mills, which serves as an ideal testing ground for the development of innovative techniques such as the analytic conformal bootstrap. The second class consists of magnetic lines in Yukawa models, which have fascinating applications in 3d condensed-matter systems. These systems have the potential to emulate phenomena observed in the Standard Model in a low-energy setting.

Diverse astrophysikalische Beobachtungen weisen auf bislang unerklärte Materie hin, die hauptsächlich gravitativ interagiert. Wenn diese Materie, bezeichnet als Dunkle Materie, ein Elementarteilchen ist, könnte sie in Teilchenkollisionen am Large Hadron Collider produziert werden. Aufgrund ihrer schwachen Wechselwirkung mit normaler Materie könnte sie jedoch nicht direkt mit den Vielzweckdetektoren am Large Hadron Collider beobachtet werden. Ihre Produktion würde sich stattdessen in Ereignissen zeigen, in denen ein Rückstoß von Detektor-sichtbaren Objekten gegen die Detektor-unsichtbare Dunkle Materie besteht, was fehlende transversale Energie verursacht. Diese Dissertation beschäftigt sich mit Endzuständen, in denen diese sichtbaren Objekte sogenannte Jets sind. In dieser Dissertation wird eine Messung des Endzustands aus großer fehlender transversaler Energie und mindestens einem Jet in 139/fb an Proton–Proton-Kollisionen bei 13 TeV, aufgezeichnet mit dem ATLAS-Detektor am Large Hadron Collider, durchgeführt. Zwischen den gemessenen Daten und der Standard-Modell-Vorhersage wird in einer statistischen Optimierung gute Übereinstimmung gefunden. Die Messung wird von Detektor-Effekten bereinigt, um spätere Reinterpretation zu vereinfachen. Messungen, die auf diese Art aufbereitet wurden, können beispielsweise von der Contur-Software benutzt werden, um Parametergrenzen für neue Theorien festzustellen. Sowohl die Ergebnisse der Messung, als auch die Contur-Software, welche auf existierende Messungen am Large Hadron Collider zurückgreift, werden verwendet, um Ausschlussgrenzen für ein Modell, das Dunkle Materie erklären kann, festzustellen. Betrachtet wird das Modell von zwei Higgs-Dubletts und einem pseudoskalaren Botenteilchen zu Dunkler Materie. / Various astrophysical observations point towards an as-of-yet unexplained, mainly gravitationally interacting type of matter. If this matter, called Dark Matter, is an elementary particle, it could be produced in particle collisions at the Large Hadron Collider. Given its weak interaction with ordinary matter, however, it would not be directly observable with the general-purpose detectors at the Large Hadron Collider. Its production would therefore manifest as events in which detector-visible objects recoil against the detector-invisible Dark Matter, giving rise to missing transverse energy. This thesis focuses on final states in which these visible objects are jets. A measurement of the final state of large missing transverse energy and at least one jet in 139/fb of proton–proton collisions at 13 TeV recorded with the ATLAS detector at the Large Hadron Collider is performed in this thesis. Good agreement between measured data and Standard-Model prediction is found in a statistical fit. The measurement is corrected for detector effects to facilitate later reinterpretation. Measurements prepared in such a way can, for example, be exploited by the Contur toolkit to set constraints on new theories. Both, the results of the measurement and the Contur toolkit making use of existing measurements at the Large Hadron Collider, are employed to set exclusion limits on a model able to explain Dark Matter, the two-Higgs-doublet model with a pseudoscalar mediator to Dark Matter.