After the excavation of a cut slope ongoing deformations on the slope surface can often be measured. These deformations can be induced due to various processes and can also be used as an indicator of slope stability. If the reasons for the deformations are known, selective stabilization methods can help to decelerate, or stop, the movements. The potential for the recognition of displacement patterns in excavated slopes is studied in this dissertation. In the laboratory, the analysis of displacement patterns due to various processes is difficult as identical initial test conditions can hardly be reproduced. Furthermore, measurements of displacements can only be conducted to a limited degree. Therefore, numerical calculations using the finite element method were applied to simulate excavation processes and analyse the displacements. In addition, a suitable mathematical model has to be used to represent the stress-strain behaviour during the unloading process. Three different advanced constitutive soil models were chosen to calculate an excavation process of an idealized slope assuming drained conditions: - elasto-plastic Modified-Cam-Clay model - rate-independent hypoplastic model according to Masin - rate-dependent visco-hypoplastic model according to Niemunis Before conducting the excavation simulation, the soil parameters of the constitutive models were calibrated by means of numerical element tests, depicting the stress paths of conventional laboratory tests. Within the literature, those conventional laboratory tests are recommended for the determination of parameters for the constitutive models. A parameter set for the visco-hypoplastic model was chosen from literature. The parameters were adapted for the remaining models. Thus, all three models predicted approximately the same stress-strain behaviour during conventional laboratory tests. Despite the correlations during the element tests, the constitutive models predicted different displacements during the calculation of the excavation of an idealized slope under drained conditions. Thereupon, load-controlled triaxial compression tests were conducted reproducing the characteristic stress paths during an excavation process. At the same time, numerical calculations were carried out to reproduce the triaxial compression tests, and the measured and calculated displacement behaviour was compared. Different processes such as pure unloading due to excavation, excavation in overconsolidated soil, excavation coupled with consolidation, excavation coupled with previous ground water lowering and consolidation as well as the influence of creep effects were considered in the analysis of the displacement patterns during an excavation. It can be stated that the evaluation of displacements and changes in displacements in a single point on the slope surface cannot provide sufficient information about a certain physical process. Only the combination of displacement paths at different survey points will lead to a reliable conclusion. Thus, representative displacement patterns for different processes are recognizable during and after the excavation, which can be used for the identification. During the numerical simulation of an in-situ model test, where a slope was brought to failure by excavation, the calculated displacements were analysed for identifiable displacement patterns. It can be stated that despite different slope systems, consistencies were found within characteristic survey points. These points can be used to identify patterns within the displacement contours.

After the excavation of a cut slope ongoing deformations on the slope surface can often be measured. These deformations can be induced due to various processes and can also be used as an indicator of slope stability. If the reasons for the deformations are known, selective stabilization methods can help to decelerate, or stop, the movements. The potential for the recognition of displacement patterns in excavated slopes is studied in this dissertation. In the laboratory, the analysis of displacement patterns due to various processes is difficult as identical initial test conditions can hardly be reproduced. Furthermore, measurements of displacements can only be conducted to a limited degree. Therefore, numerical calculations using the finite element method were applied to simulate excavation processes and analyse the displacements. In addition, a suitable mathematical model has to be used to represent the stress-strain behaviour during the unloading process. Three different advanced constitutive soil models were chosen to calculate an excavation process of an idealized slope assuming drained conditions: - elasto-plastic Modified-Cam-Clay model - rate-independent hypoplastic model according to Masin - rate-dependent visco-hypoplastic model according to Niemunis Before conducting the excavation simulation, the soil parameters of the constitutive models were calibrated by means of numerical element tests, depicting the stress paths of conventional laboratory tests. Within the literature, those conventional laboratory tests are recommended for the determination of parameters for the constitutive models. A parameter set for the visco-hypoplastic model was chosen from literature. The parameters were adapted for the remaining models. Thus, all three models predicted approximately the same stress-strain behaviour during conventional laboratory tests. Despite the correlations during the element tests, the constitutive models predicted different displacements during the calculation of the excavation of an idealized slope under drained conditions. Thereupon, load-controlled triaxial compression tests were conducted reproducing the characteristic stress paths during an excavation process. At the same time, numerical calculations were carried out to reproduce the triaxial compression tests, and the measured and calculated displacement behaviour was compared. Different processes such as pure unloading due to excavation, excavation in overconsolidated soil, excavation coupled with consolidation, excavation coupled with previous ground water lowering and consolidation as well as the influence of creep effects were considered in the analysis of the displacement patterns during an excavation. It can be stated that the evaluation of displacements and changes in displacements in a single point on the slope surface cannot provide sufficient information about a certain physical process. Only the combination of displacement paths at different survey points will lead to a reliable conclusion. Thus, representative displacement patterns for different processes are recognizable during and after the excavation, which can be used for the identification. During the numerical simulation of an in-situ model test, where a slope was brought to failure by excavation, the calculated displacements were analysed for identifiable displacement patterns. It can be stated that despite different slope systems, consistencies were found within characteristic survey points. These points can be used to identify patterns within the displacement contours.

Das impedanzwandelnde Hören ist eine wichtige Verfeinerung des Gehörsystems der Tetrapoden indem es einen Energieverlust während der Schallübertragung vermeidet. Anatomisch ist es durch eine Unterteilung des Foramen Metoticum in eine vordere Fenestra Pseudorotunda und ein hinteres Vagus Foramen charakterisiert. Dieses System trat mehrmals unabhängig in Amniota auf, und obwohl schon vorher vermutet wurde, dass es eine Homoplasie für Archosauria darstellt, wurde diese Hypothese bisher noch nicht geprüft. Demnach wurden 17 Hirnschädel Merkmale für 111 Taxa kodiert und auf einem informellen Supertrees optimiert. Die Analyse ergab, dass die Fenestra Pseudorotunda unbhängig acht Mal in Archosauria auftrat, mit fünf Umkehrungen. Während dieses Merkmal plastisch für Dinosauria ist, es trat nur einmal in Pseudosuchia auf. Eine Tree Shape-Analyse ergab, dass sechs Verschiebungen in den Diversifizierungsraten in Pseudosuchia und sieben in Dinosauria zu finden sind, von denen nur die der Ornithischia mit der Fenestra Pseudorotunda in Beziehung stehen. Viele Zustandsveränderungen erfolgen an der Basis der Dinosauria aber bei Pseudosuchia sind diese vor der Entstehung der Crocodyliformes und an der Basis der Notosuchia und Thalattosuchia konzentriert. Die Korrelationen zwischen Zustandsveränderungen und Verschiebungen sind höher in Dinosauria, während bei Pseudosuchia nur Mesoeucrocodylia eine ähnliche Anzahl aufweist. Daraus folgt, dass das impedanzwandelnde Hören nicht homolog in Archosauria ist, und dass es nicht als Schlüsselinnovation zur Erklärung der Vielfalt betrachtet werden kann, obwohl es eine Rolle in der Diversifizierung der Ornithischia spielte. Insgesamt ist die Anatomie des Hirnschädels der Dinosauria plastischer als die der Pseudosuchia. Die Positionierung des Pterygoid-Quadratum-Komplexes an die Seitenwand des Hirnschädels in Crocodyliformes stellt eine anatomische Beschränkung dar, welche nur von Notosuchia und Thalattosuchia durchbrochen wurde. / Impedance-matching hearing is considered an important refinement of the auditory system of tetrapods because it reduces energy loss during sound transmission. Anatomically, it is characterized by the sub-division of the metotic foramen into a posterior vagus foramen and an anterior fenestra pseudorotunda. Impedance-matching hearing has evolved independently in several tetrapod groups including archosaurs and although it has been suggested that it represents a homoplasy, this hypothesis has never been tested. Therefore, 17 braincase characters were coded for 111 taxa and mapped on an informal supertree. Optimization of the characters revealed that the fenestra pseudorotunda appeared eight times independently in Archosauria, with five reversals. While this character is plastic in dinosaurs, it appeared only once in pseudosuchians. A tree-shape analysis revealed that pseudosuchians had six shifts in diversification rates, while dinosaurs had seven. Of these, only ornithischian ones are correlated to the appearance of impedance-matching hearing. Many of the overall state changes occur at the origin of major dinosaurian clades, but for pseudosuchians they are concentrated prior to the origin of Crocodyliformes and at the origin of Notosuchia and Thalattosuchia. The overall number of correspondences between character state changes and shifts in diversification rates is higher for dinosaurs, whereas in Pseudosuchia only Mesoeucrocodylia has a similar amount. It is thus possible to conclude that impedance-matching hearing is not homologous for archosaurs, and that it cannot be considered a key innovation triggering diversification. However, it may have played some role in ornithischian diversification. In general, the braincase anatomy of dinosaurs is more plastic than that of pseudosuchians. The abutting of the pterygo-quadrate complex against the lateral braincase wall was a strong anatomical constraint for crocodyliforms broken only by notosuchians and thalatosuchians.

In der vorliegenden Diplomarbeit wurden sekundäre Isotopeneffekte auf NMR-chemische Verschiebungen mit ab-initio quantenchemischen Methoden bestimmt. Um die zu erwartenden Fehler verschiedener Methoden abschätzen zu können, wurden die sekundären Isotopeneffekte von Fluor(2-2H1)ethan auf HF, MP2 und CCSD(T)-Niveau mit tripel- und quadrupel-Zeta Basissätzen berechnet. Anhand der Ergebnisse dieser Rechnungen lässt sich zeigen, dass gauche und antiperiplanare Konformere bereits mithilfe von sekundären Isotopenverschiebungen unterschieden werden können, die auf HF/tz2p-Niveau berechnet wurden. Weiterhin wurde untersucht, ob es eine Abhängingkeit des Isotopeneffektes von den Diederwinkeln zwischen Deuterium- und Fluorsubstituenten gibt. Die sekundären Isotopeneffekte auf 19F-NMR-chemische Verschiebungen von exo- und endo-2-Fluornorbornanen mit Deuterium Substituenten in den endo-3, exo-3, syn-7 oder anti-7 Positionen wurden auf HF/tz2p-Niveau berechnet. Es wird gezeigt, dass die berechneten Isotopeneffekte an 2-Fluornorbornanen eine Identifizierung der verschiedenen Stereoisomere erlauben. / In the present Diploma thesis secondary isotope effects on NMR chemical shieldings were determined using ab-initio quantum chemical methods. In order to estimate errors of various methods, secondary isotope effects on fluoro(2-2H1)ethane were calculated at the HF, MP2 and CCSD(T) level of theory using triple- and quadruple zeta basis sets. On the basis of these calculations it can be shown that gauche and antiperiplanar conformers can already be distinguished by their secondary isotope shifts calculated at the HF/tz2p level of theory. Furthermore it was investigated, whether a dependency of the isotope effects on dihedral angles between the deuterium and the fluorine substituent exists. The secondary isotope effects on 19F chemical shifts of exo- and endo-2-fluoronorbornanes with deuterium subsituents in the endo-3, exo-3, syn-7 or anti-7 positions were calculated at the HF/tz2p level. It is shown that the calculated isotope effects of 2-fluoronorbornanes allow to identify various stereoisomers.

The numerical simulation of a moving heat source from a fixed point observer is often done by discretely adjusting its position over the steps of a thermal transient analysis. The efficiency of these simulations is increased when using a coarse temporal discretization whilst maintaining the quality of results. One systematic error source is the rare update of a nonconstant moving heat source with regard to its magnitude and location. In this work, we present an analysis of the error and propose a correction approach based on conserving the specified heat from a continuous motion in analyses with large time-step sizes. Deficiencies associated with the correction in special motion situations are identified by means of performance studies and the approach is extended accordingly. The advantages of applying the proposed correction are demonstrated through examples.

In der vorliegenden Diplomarbeit wurden sekundäre Isotopeneffekte auf NMR-chemische Verschiebungen mit ab-initio quantenchemischen Methoden bestimmt. Um die zu erwartenden Fehler verschiedener Methoden abschätzen zu können, wurden die sekundären Isotopeneffekte von Fluor(2-2H1)ethan auf HF, MP2 und CCSD(T)-Niveau mit tripel- und quadrupel-Zeta Basissätzen berechnet. Anhand der Ergebnisse dieser Rechnungen lässt sich zeigen, dass gauche und antiperiplanare Konformere bereits mithilfe von sekundären Isotopenverschiebungen unterschieden werden können, die auf HF/tz2p-Niveau berechnet wurden. Weiterhin wurde untersucht, ob es eine Abhängingkeit des Isotopeneffektes von den Diederwinkeln zwischen Deuterium- und Fluorsubstituenten gibt. Die sekundären Isotopeneffekte auf 19F-NMR-chemische Verschiebungen von exo- und endo-2-Fluornorbornanen mit Deuterium Substituenten in den endo-3, exo-3, syn-7 oder anti-7 Positionen wurden auf HF/tz2p-Niveau berechnet. Es wird gezeigt, dass die berechneten Isotopeneffekte an 2-Fluornorbornanen eine Identifizierung der verschiedenen Stereoisomere erlauben. / In the present Diploma thesis secondary isotope effects on NMR chemical shieldings were determined using ab-initio quantum chemical methods. In order to estimate errors of various methods, secondary isotope effects on fluoro(2-2H1)ethane were calculated at the HF, MP2 and CCSD(T) level of theory using triple- and quadruple zeta basis sets. On the basis of these calculations it can be shown that gauche and antiperiplanar conformers can already be distinguished by their secondary isotope shifts calculated at the HF/tz2p level of theory. Furthermore it was investigated, whether a dependency of the isotope effects on dihedral angles between the deuterium and the fluorine substituent exists. The secondary isotope effects on 19F chemical shifts of exo- and endo-2-fluoronorbornanes with deuterium subsituents in the endo-3, exo-3, syn-7 or anti-7 positions were calculated at the HF/tz2p level. It is shown that the calculated isotope effects of 2-fluoronorbornanes allow to identify various stereoisomers.