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- Institut für Physik und Astronomie (403)
- Institut für Biochemie und Biologie (382)
- Institut für Geowissenschaften (325)
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This work incorporates three treatises which are commonly concerned with a stochastic theory of the Lyapunov exponents. With the help of this theory universal scaling laws are investigated which appear in coupled chaotic and disordered systems. First, two continuous-time stochastic models for weakly coupled chaotic systems are introduced to study the scaling of the Lyapunov exponents with the coupling strength (coupling sensitivity of chaos). By means of the the Fokker-Planck formalism scaling relations are derived, which are confirmed by results of numerical simulations. Next, coupling sensitivity is shown to exist for coupled disordered chains, where it appears as a singular increase of the localization length. Numerical findings for coupled Anderson models are confirmed by analytic results for coupled continuous-space Schrödinger equations. The resulting scaling relation of the localization length resembles the scaling of the Lyapunov exponent of coupled chaotic systems. Finally, the statistics of the exponential growth rate of the linear oscillator with parametric noise are studied. It is shown that the distribution of the finite-time Lyapunov exponent deviates from a Gaussian one. By means of the generalized Lyapunov exponents the parameter range is determined where the non-Gaussian part of the distribution is significant and multiscaling becomes essential.
Geometric electroelasticity
(2014)
In this work a diffential geometric formulation of the theory of electroelasticity is developed which also includes thermal and magnetic influences. We study the motion of bodies consisting of an elastic material that are deformed by the influence of mechanical forces, heat and an external electromagnetic field. To this end physical balance laws (conservation of mass, balance of momentum, angular momentum and energy) are established. These provide an equation that describes the motion of the body during the deformation. Here the body and the surrounding space are modeled as Riemannian manifolds, and we allow that the body has a lower dimension than the surrounding space. In this way one is not (as usual) restricted to the description of the deformation of three-dimensional bodies in a three-dimensional space, but one can also describe the deformation of membranes and the deformation in a curved space. Moreover, we formulate so-called constitutive relations that encode the properties of the used material. Balance of energy as a scalar law can easily be formulated on a Riemannian manifold. The remaining balance laws are then obtained by demanding that balance of energy is invariant under the action of arbitrary diffeomorphisms on the surrounding space. This generalizes a result by Marsden and Hughes that pertains to bodies that have the same dimension as the surrounding space and does not allow the presence of electromagnetic fields. Usually, in works on electroelasticity the entropy inequality is used to decide which otherwise allowed deformations are physically admissible and which are not. It is alsoemployed to derive restrictions to the possible forms of constitutive relations describing the material. Unfortunately, the opinions on the physically correct statement of the entropy inequality diverge when electromagnetic fields are present. Moreover, it is unclear how to formulate the entropy inequality in the case of a membrane that is subjected to an electromagnetic field. Thus, we show that one can replace the use of the entropy inequality by the demand that for a given process balance of energy is invariant under the action of arbitrary diffeomorphisms on the surrounding space and under linear rescalings of the temperature. On the one hand, this demand also yields the desired restrictions to the form of the constitutive relations. On the other hand, it needs much weaker assumptions than the arguments in physics literature that are employing the entropy inequality. Again, our result generalizes a theorem of Marsden and Hughes. This time, our result is, like theirs, only valid for bodies that have the same dimension as the surrounding space.
Die gewaltigen Strukturveränderungen im Bereich des Gesundheitswesens, die in den letzten Jahren bereits erfolgten und die, die noch bevorstehen, zwingen Unternehmen, mit geplanten und gesteuerten Veränderungsprozessen die Voraussetzungen für eine kontinuierliche Anpassung an die neuen Gegebenheiten zu schaffen und somit ihre Zukunftsfähigkeit sicherzustellen. Vor diesem Hintergrund wird gezeigt, wie das Excellence-Modell der EFQM als Instrument für Veränderungsprozesse eingesetzt werden kann und es geeignet ist, Veränderungsziele zu definieren und die Zielerreichung zu bewerten. Referenzobjekt der Fallstudienanalyse, die einen Zeitraum von 13 Jahren umfasst, ist der Medizinische Dienst der Krankenversicherung Rheinland-Pfalz. Neben der Analyse und Darstellung von theoretischen Grundlagen wird an einem Unternehmen des Gesundheitswesens beispielhaft gezeigt, wie die Umsetzung in der Praxis unter Einsatz des EFQM-Modells erfolgen kann. Da das EFQM-Modell mit seiner Systematik unternehmensunabhängig eingesetzt werden kann, sind Lern- und Übertragungsmöglichkeiten strukturiert möglich. Es wird der Nachweis erbracht, dass sich das EFQM-Modell im Rahmen eines Management- und Qualitätssteue-rungsmodells als Universalmethode nutzen lässt, sofern das Management über die Kompe-tenz branchenspezifischer Anpassung verfügt. Auf dem Weg zu organisatorischer Excel-lence wird gezielt an Planungs- und Prognosetechniken des strategischen Managements (SWOT, Szenario-Analyse, Portfolio-Analyse) angeknüpft und auf das VRIO-Paradigma des Resource-based View Bezug genommen. Das EFQM-Modell wird dem Stresstest des ressourcenstrategischen Ansatzes unterzogen, um so zu zeigen, dass es sich beim EFQM-Modell um ein einzigartiges, schwer imitierbares, kaum zu substituierendes, organisatorisch verankertes und kundennutzen-stiftendes Er-folgspotenzial handeln kann. Die Arbeit liefert Impulse und konkrete Anregungen, die zu einem hohen managementprakti-schen Erkenntniszuwachs für den erfolgreichen Umgang mit dem EFQM-Modell und dem Einsatz von Qualitätsmanagementsystemen führen können.
Hauptanliegen der Dissertation ist es, einen Entwurf einer praktischen Ästhetik zu lancieren, der an der Schnittstelle zwischen philosophischer Ästhetik und Kunst – genauer Performancekunst - im Zeichen der Bezugsgrösse der Verletzbarkeit steht. In jüngeren Ästhetikansätzen hat sich eine Auffassung herauskristallisiert, die nicht über, sondern mit Kunst reflektiert. Die Pointe im ‚Mit’ liegt darin, dass diese Ästhetiken die Kunst nicht erklären, sie bestimmen und damit ihre Bedeutung festlegen, sondern dass diese entlang der Kunst die Brüche, Widerstände und Zäsuren zwischen Wahrnehmen und Denken markieren und diese als produktiv bewerten. Diese Lesart etabliert ein Denken, das nicht aus der Distanz auf etwas schaut (theoria), sondern ästhetisch-reflektierend (zurückwendend, auch selbstkritisch) mit der Kunst denkt. Die Disziplin der Ästhetik - als aisthesis: Lehre der sinnlichen Wahrnehmung - nimmt innerhalb der Philosophie eine besondere Stellung ein, weil sie auf ebendiese Differenz verweist und deshalb sinnliche und nicht nur logisch-argumentatorische Denkfiguren stärkt. Als eine Möglichkeit, die Kluft, das Nicht-Einholbare, die brüchige Unzulänglichkeit des begrifflich Denkenden gegenüber ästhetischer Erfahrung zu stärken, schlage ich die Bezugsgrösse der Verletzbarkeit vor. Eine solche Ästhetik besteht aus dem Kreieren verletzbarer Orte, wobei diese auf zweierlei Weisen umkreist werden: Zum einen aus der Kunstpraxis heraus anhand der ästhetischen Figur des verletzbaren Körpes, wie er sich in der zeitgenössischen Performance zeigt. Zum anderen als ein Kreieren von Begriffen im Bewusstsein ihrer Verletzbarkeit. Ausgangspunkte sind die Denkentwürfe von Gilles Deleuze und Hans Blumenberg: Die Ästhetik von Gilles Deleuze entwirft eine konkrete Überschneidungsmöglichkeit von Kunst und Philosophie, aus der sich meine These des Mit-Kunst-Denkens entwickeln lässt. Sie kann aus der Grundvoraussetzung des Deleuzeschen Denkens heraus begründet werden, die besagt, dass nicht nur die Kunst, sondern auch die Philosophie eine schöpferische Tätigkeit ist. Beide Disziplinen beruhen auf dem Prinzip der creatio continua, durch welche die Kunst Empfindungen und die Philosophie Begriffe schöpft, wobei eben genau dieser schöpferische Prozess Kunst und Philosophie in ein produktives Verhältnis zueinander treten lässt. Wie Deleuze seine Begriffsarbeit entlang künstlerischer Praxis entwickelt, wird anhand der Analyse des bis heute wenig rezipierten Textes Ein Manifest weniger in Bezug auf das Theater von Carmelo Bene analysiert. Eine ganz anderen Zugang zum Entwurf einer praktischen Ästhetik liefert Hans Blumenberg, der eine Theorie der Unbegrifflichkeit in Aussicht stellt. Im Anschluss an seine Forderung, die Metapher wieder vermehrt in die philosophische Denkpraxis zu integrieren, radikalisiert er seine Forderung, auch das Nichtanschauliche zu berücksichtigen, indem er das gänzlich Unbegriffliche an die Seite des Begrifflichen stellt. Definitorische Schwäche zeigt sich als wahrhaftige Stärke, die in der Unbegrifflichkeit ihren Zenit erreicht. Der Schiffbruch wird von mir als zentrale Metapher – gewissermassen als Metapher der Metapher – verstanden, die das Auf-Grund-Laufen des Allwissenden veranschaulicht. Im Schiffbruch wird die produktive Kollision von Theorie und Praxis deutlich. Deleuze und Blumenberg zeigen über ‚creatio continua’ und ‚Unbegrifflichkeit’ die Grenzen des Begreifens, indem sie betonen, dass sich Ästhetik nicht nur auf künstlerische Erfahrungen bezieht, sondern selber in das Gegenwärtigmachen von Erfahrungen involviert ist. Daraus folgt, dass ästhetische Reflexion nicht nur begrifflich agieren muss. Die praktische Ästhetik animiert dazu, andere darstellerische Formen (Bilder, Töne, Körper) als differente und ebenbürtige reflexive Modi anzuerkennen und sie als verletzbarmachende Formate der Sprache an die Seite zu stellen. Diese Lesart betont den gestalterischen Aspekt der Ästhetik selber. Zur Verdeutlichung dieser Kluft zwischen (Körper-)Bild und Begriff ist der von mir mitgestaltete Film Augen blickeN der Dissertation als Kapitel beigefügt. Dieser Film zeigt Performer und Performerinnen, die sich bewusst entschieden haben, ihren ‚abweichenden’ Körper auf der Bühne zu präsentieren. Das Wort Verletzbarkeit verweist auf die paradoxe Situation, etwas Brüchiges tragfähig zu machen und dadurch auch auf eine besondere Beziehungsform und auf ein existenzielles Aufeinander-Verwiesensein der Menschen. Verletzbarkeit geht alle an, und stiftet deshalb eine Gemeinsamkeit besonderer Art. In diesem Sinne sind verletzbare Orte nicht nur ästhetische, sondern auch ethische Orte, womit die politische Dimension des Vorhabens betont wird.
Distances affect economic decision-making in numerous situations. The time at which we make a decision about future consumption has an impact on our consumption behavior. The spatial distance to employer, school or university impacts the place where we live and vice versa. The emotional closeness to other individuals influences our willingness to give money to them. This cumulative thesis aims to enrich the literature on the role of distance for economic decision-making. Thereby, each of my research projects sheds light on the impact of one kind of distance for efficient decision-making.
This thesis is concerned with the solution of the blind source separation problem (BSS). The BSS problem occurs frequently in various scientific and technical applications. In essence, it consists in separating meaningful underlying components out of a mixture of a multitude of superimposed signals. In the recent research literature there are two related approaches to the BSS problem: The first is known as Independent Component Analysis (ICA), where the goal is to transform the data such that the components become as independent as possible. The second is based on the notion of diagonality of certain characteristic matrices derived from the data. Here the goal is to transform the matrices such that they become as diagonal as possible. In this thesis we study the latter method of approximate joint diagonalization (AJD) to achieve a solution of the BSS problem. After an introduction to the general setting, the thesis provides an overview on particular choices for the set of target matrices that can be used for BSS by joint diagonalization. As the main contribution of the thesis, new algorithms for approximate joint diagonalization of several matrices with non-orthogonal transformations are developed. These newly developed algorithms will be tested on synthetic benchmark datasets and compared to other previous diagonalization algorithms. Applications of the BSS methods to biomedical signal processing are discussed and exemplified with real-life data sets of multi-channel biomagnetic recordings.
Information on the contemporary in-situ stress state of the earth’s crust is essential for geotechnical applications and physics-based seismic hazard assessment. Yet, stress data records for a data point are incomplete and their availability is usually not dense enough to allow conclusive statements. This demands a thorough examination of the in-situ stress field which is achieved by 3D geomechanicalnumerical models. However, the models spatial resolution is limited and the resulting local stress state is subject to large uncertainties that confine the significance of the findings. In addition, temporal variations of the in-situ stress field are naturally or anthropogenically induced. In my thesis I address these challenges in three manuscripts that investigate (1) the current crustal stress field orientation, (2) the 3D geomechanical-numerical modelling of the in-situ stress state, and (3) the phenomenon of injection induced temporal stress tensor rotations. In the first manuscript I present the first comprehensive stress data compilation of Iceland with 495 data records. Therefore, I analysed image logs from 57 boreholes in Iceland for indicators of the orientation of the maximum horizontal stress component. The study is the first stress survey from different kinds of stress indicators in a geologically very young and tectonically active area of an onshore spreading ridge. It reveals a distinct stress field with a depth independent stress orientation even very close to the spreading centre. In the second manuscript I present a calibrated 3D geomechanical-numerical modelling approach of the in-situ stress state of the Bavarian Molasse Basin that investigates the regional (70x70x10km³) and local (10x10x10km³) stress state. To link these two models I develop a multi-stage modelling approach that provides a reliable and efficient method to derive from the larger scale model initial and boundary conditions for the smaller scale model. Furthermore, I quantify the uncertainties in the models results which are inherent to geomechanical-numerical modelling in general and the multi-stage approach in particular. I show that the significance of the models results is mainly reduced due to the uncertainties in the material properties and the low number of available stress magnitude data records for calibration. In the third manuscript I investigate the phenomenon of injection induced temporal stress tensor rotation and its controlling factors. I conduct a sensitivity study with a 3D generic thermo-hydro-mechanical model. I show that the key control factors for the stress tensor rotation are the permeability as the decisive factor, the injection rate, and the initial differential stress. In particular for enhanced geothermal systems with a low permeability large rotations of the stress tensor are indicated. According to these findings the estimation of the initial differential stress in a reservoir is possible provided the permeability is known and the angle of stress rotation is observed. I propose that the stress tensor rotations can be a key factor in terms of the potential for induced seismicity on pre-existing faults due to the reorientation of the stress field that changes the optimal orientation of faults.
Self-adaptive data quality
(2017)
Carrying out business processes successfully is closely linked to the quality of the data inventory in an organization. Lacks in data quality lead to problems: Incorrect address data prevents (timely) shipments to customers. Erroneous orders lead to returns and thus to unnecessary effort. Wrong pricing forces companies to miss out on revenues or to impair customer satisfaction. If orders or customer records cannot be retrieved, complaint management takes longer. Due to erroneous inventories, too few or too much supplies might be reordered.
A special problem with data quality and the reason for many of the issues mentioned above are duplicates in databases. Duplicates are different representations of same real-world objects in a dataset. However, these representations differ from each other and are for that reason hard to match by a computer. Moreover, the number of required comparisons to find those duplicates grows with the square of the dataset size. To cleanse the data, these duplicates must be detected and removed. Duplicate detection is a very laborious process. To achieve satisfactory results, appropriate software must be created and configured (similarity measures, partitioning keys, thresholds, etc.). Both requires much manual effort and experience.
This thesis addresses automation of parameter selection for duplicate detection and presents several novel approaches that eliminate the need for human experience in parts of the duplicate detection process.
A pre-processing step is introduced that analyzes the datasets in question and classifies their attributes semantically. Not only do these annotations help understanding the respective datasets, but they also facilitate subsequent steps, for example, by selecting appropriate similarity measures or normalizing the data upfront. This approach works without schema information.
Following that, we show a partitioning technique that strongly reduces the number of pair comparisons for the duplicate detection process. The approach automatically finds particularly suitable partitioning keys that simultaneously allow for effective and efficient duplicate retrieval. By means of a user study, we demonstrate that this technique finds partitioning keys that outperform expert suggestions and additionally does not need manual configuration. Furthermore, this approach can be applied independently of the attribute types.
To measure the success of a duplicate detection process and to execute the described partitioning approach, a gold standard is required that provides information about the actual duplicates in a training dataset. This thesis presents a technique that uses existing duplicate detection results and crowdsourcing to create a near gold standard that can be used for the purposes above. Another part of the thesis describes and evaluates strategies how to reduce these crowdsourcing costs and to achieve a consensus with less effort.
Biofilms are complex living materials that form as bacteria get embedded in a matrix of self-produced protein and polysaccharide fibres. The formation of a network of extracellular biopolymer fibres contributes to the cohesion of the biofilm by promoting cell-cell attachment and by mediating biofilm-substrate interactions. This sessile mode of bacteria growth has been well studied by microbiologists to prevent the detrimental effects of biofilms in medical and industrial settings. Indeed, biofilms are associated with increased antibiotic resistance in bacterial infections, and they can also cause clogging of pipelines or promote bio-corrosion. However, biofilms also gained interest from biophysics due to their ability to form complex morphological patterns during growth. Recently, the emerging field of engineered living materials investigates biofilm mechanical properties at multiple length scales and leverages the tools of synthetic biology to tune the functions of their constitutive biopolymers.
This doctoral thesis aims at clarifying how the morphogenesis of Escherichia coli (E. coli) biofilms is influenced by their growth dynamics and mechanical properties. To address this question, I used methods from cell mechanics and materials science. I first studied how biological activity in biofilms gives rise to non-uniform growth patterns. In a second study, I investigated how E. coli biofilm morphogenesis and its mechanical properties adapt to an environmental stimulus, namely the water content of their substrate. Finally, I estimated how the mechanical properties of E. coli biofilms are altered when the bacteria express different extracellular biopolymers.
On nutritive hydrogels, micron-sized E. coli cells can build centimetre-large biofilms. During this process, bacterial proliferation and matrix production introduce mechanical stresses in the biofilm, which release through the formation of macroscopic wrinkles and delaminated buckles. To relate these biological and mechanical phenomena, I used time-lapse fluorescence imaging to track cell and matrix surface densities through the early and late stages of E. coli biofilm growth. Colocalization of high cell and matrix densities at the periphery precede the onset of mechanical instabilities at this annular region. Early growth is detected at this outer annulus, which was analysed by adding fluorescent microspheres to the bacterial inoculum. But only when high rates of matrix production are present in the biofilm centre, does overall biofilm spreading initiate along the solid-air interface. By tracking larger fluorescent particles for a long time, I could distinguish several kinematic stages of E. coli biofilm expansion and observed a transition from non-linear to linear velocity profiles, which precedes the emergence of wrinkles at the biofilm periphery. Decomposing particle velocities to their radial and circumferential components revealed a last kinematic stage, where biofilm movement is mostly directed towards the radial delaminated buckles, which verticalize. The resulting compressive strains computed in these regions were observed to substantially deform the underlying agar substrates. The co-localization of higher cell and matrix densities towards an annular region and the succession of several kinematic stages are thus expected to promote the emergence of mechanical instabilities at the biofilm periphery. These experimental findings are predicted to advance future modelling approaches of biofilm morphogenesis.
E. coli biofilm morphogenesis is further anticipated to depend on external stimuli from the environment. To clarify how the water could be used to tune biofilm material properties, we quantified E. coli biofilm growth, wrinkling dynamics and rigidity as a function of the water content of the nutritive substrates. Time-lapse microscopy and computational image analysis revealed that substrates with high water content promote biofilm spreading kinetics, while substrates with low water content promote biofilm wrinkling. The wrinkles observed on biofilm cross-sections appeared more bent on substrates with high water content, while they tended to be more vertical on substrates with low water content. Both wet and dry biomass, accumulated over 4 days of culture, were larger in biofilms cultured on substrates with high water content, despite extra porosity within the matrix layer. Finally, the micro-indentation analysis revealed that substrates with low water content supported the formation of stiffer biofilms. This study shows that E. coli biofilms respond to the water content of their substrate, which might be used for tuning their material properties in view of further applications.
Biofilm material properties further depend on the composition and structure of the matrix of extracellular proteins and polysaccharides. In particular, E. coli biofilms were suggested to present tissue-like elasticity due to a dense fibre network consisting of amyloid curli and phosphoethanolamine-modified cellulose. To understand the contribution of these components to the emergent mechanical properties of E. coli biofilms, we performed micro-indentation on biofilms grown from bacteria of several strains. Besides showing higher dry masses, larger spreading diameters and slightly reduced water contents, biofilms expressing both main matrix components also presented high rigidities in the range of several hundred kPa, similar to biofilms containing only curli fibres. In contrast, a lack of amyloid curli fibres provides much higher adhesive energies and more viscoelastic fluid-like material behaviour. Therefore, the combination of amyloid curli and phosphoethanolamine-modified cellulose fibres implies the formation of a composite material whereby the amyloid curli fibres provide rigidity to E. coli biofilms, whereas the phosphoethanolamine-modified cellulose rather acts as a glue. These findings motivate further studies involving purified versions of these protein and polysaccharide components to better understand how their interactions benefit biofilm functions.
All three studies depict different aspects of biofilm morphogenesis, which are interrelated. The first work reveals the correlation between non-uniform biological activities and the emergence of mechanical instabilities in the biofilm. The second work acknowledges the adaptive nature of E. coli biofilm morphogenesis and its mechanical properties to an environmental stimulus, namely water. Finally, the last study reveals the complementary role of the individual matrix components in the formation of a stable biofilm material, which not only forms complex morphologies but also functions as a protective shield for the bacteria it contains. Our experimental findings on E. coli biofilm morphogenesis and their mechanical properties can have further implications for fundamental and applied biofilm research fields.
Concerns have been raised that anthropogenic climate change could lead to large-scale singular climate events, i.e., abrupt nonlinear climate changes with repercussions on regional to global scales. One central goal of this thesis is the development of models of two representative components of the climate system that could exhibit singular behavior: the Atlantic thermohaline circulation (THC) and the Indian monsoon. These models are conceived so as to fulfill the main requirements of integrated assessment modeling, i.e., reliability, computational efficiency, transparency and flexibility. The model of the THC is an interhemispheric four-box model calibrated against data generated with a coupled climate model of intermediate complexity. It is designed to be driven by global mean temperature change which is translated into regional fluxes of heat and freshwater through a linear down-scaling procedure. Results of a large number of transient climate change simulations indicate that the reduced-form THC model is able to emulate key features of the behavior of comprehensive climate models such as the sensitivity of the THC to the amount, regional distribution and rate of change in the heat and freshwater fluxes. The Indian monsoon is described by a novel one-dimensional box model of the tropical atmosphere. It includes representations of the radiative and surface fluxes, the hydrological cycle and surface hydrology. Despite its high degree of idealization, the model satisfactorily captures relevant aspects of the observed monsoon dynamics, such as the annual course of precipitation and the onset and withdrawal of the summer monsoon. Also, the model exhibits the sensitivity to changes in greenhouse gas and sulfate aerosol concentrations that are known from comprehensive models. A simplified version of the monsoon model is employed for the identification of changes in the qualitative system behavior against changes in boundary conditions. The most notable result is that under summer conditions a saddle-node bifurcation occurs at critical values of the planetary albedo or insolation. Furthermore, the system exhibits two stable equilibria: besides the wet summer monsoon, a stable state exists which is characterized by a weak hydrological cycle. These results are remarkable insofar, as they indicate that anthropogenic perturbations of the planetary albedo such as sulfur emissions and/or land-use changes could destabilize the Indian summer monsoon. The reduced-form THC model is employed in an exemplary integrated assessment application. Drawing on the conceptual and methodological framework of the tolerable windows approach, emissions corridors (i.e., admissible ranges of CO2- emissions) are derived that limit the risk of a THC collapse while considering expectations about the socio-economically acceptable pace of emissions reductions. Results indicate, for example, a large dependency of the width of the emissions corridor on climate and hydrological sensitivity: for low values of climate and/or hydrological sensitivity, the corridor boundaries are far from being transgressed by any plausible emissions scenario for the 21st century. In contrast, for high values of both quantities low non-intervention scenarios leave the corridor already in the early decades of the 21st century. This implies that if the risk of a THC collapse is to be kept low, business-as-usual paths would need to be abandoned within the next two decades. All in all, this thesis highlights the value of reduced-form modeling by presenting a number of applications of this class of models, ranging from sensitivity and bifurcation analysis to integrated assessment. The results achieved and conclusions drawn provide a useful contribution to the scientific and policy debate about the consequences of anthropogenic climate change and the long-term goals of climate protection. --- Anmerkung: Die Autorin ist Trägerin des von der Mathematisch-Naturwissenschaftlichen Fakultät der Universität Potsdam vergebenen Michelson-Preises für die beste Promotion des Jahres 2003/2004.
The European Water Framework Directive (WFD) has identified river morphological alteration and diffuse pollution as the two main pressures affecting water bodies in Europe at the catchment scale. Consequently, river restoration has become a priority to achieve the WFD's objective of good ecological status. However, little is known about the effects of stream morphological changes, such as re-meandering, on in-stream nitrate retention at the river network scale. Therefore, catchment nitrate modeling is necessary to guide the implementation of spatially targeted and cost-effective mitigation measures. Meanwhile, Germany, like many other regions in central Europe, has experienced consecutive summer droughts from 2015-2018, resulting in significant changes in river nitrate concentrations in various catchments. However, the mechanistic exploration of catchment nitrate responses to changing weather conditions is still lacking.
Firstly, a fully distributed, process-based catchment Nitrate model (mHM-Nitrate) was used, which was properly calibrated and comprehensively evaluated at numerous spatially distributed nitrate sampling locations. Three calibration schemes were designed, taking into account land use, stream order, and mean nitrate concentrations, and they varied in spatial coverage but used data from the same period (2011–2019). The model performance for discharge was similar among the three schemes, with Nash-Sutcliffe Efficiency (NSE) scores ranging from 0.88 to 0.92. However, for nitrate concentrations, scheme 2 outperformed schemes 1 and 3 when compared to observed data from eight gauging stations. This was likely because scheme 2 incorporated a diverse range of data, including low discharge values and nitrate concentrations, and thus provided a better representation of within-catchment heterogenous. Therefore, the study suggests that strategically selecting gauging stations that reflect the full range of within-catchment heterogeneity is more important for calibration than simply increasing the number of stations.
Secondly, the mHM-Nitrate model was used to reveal the causal relations between sequential droughts and nitrate concentration in the Bode catchment (3200 km2) in central Germany, where stream nitrate concentrations exhibited contrasting trends from upstream to downstream reaches. The model was evaluated using data from six gauging stations, reflecting different levels of runoff components and their associated nitrate-mixing from upstream to downstream. Results indicated that the mHM-Nitrate model reproduced dynamics of daily discharge and nitrate concentration well, with Nash-Sutcliffe Efficiency ≥ 0.73 for discharge and Kling-Gupta Efficiency ≥ 0.50 for nitrate concentration at most stations. Particularly, the spatially contrasting trends of nitrate concentration were successfully captured by the model. The decrease of nitrate concentration in the lowland area in drought years (2015-2018) was presumably due to (1) limited terrestrial export loading (ca. 40% lower than that of normal years 2004-2014), and (2) increased in-stream retention efficiency (20% higher in summer within the whole river network). From a mechanistic modelling perspective, this study provided insights into spatially heterogeneous flow and nitrate dynamics and effects of sequential droughts, which shed light on water-quality responses to future climate change, as droughts are projected to be more frequent.
Thirdly, this study investigated the effects of stream restoration via re-meandering on in-stream nitrate retention at network-scale in the well-monitored Bode catchment. The mHM-Nitrate model showed good performance in reproducing daily discharge and nitrate concentrations, with median Kling-Gupta values of 0.78 and 0.74, respectively. The mean and standard deviation of gross nitrate retention efficiency, which accounted for both denitrification and assimilatory uptake, were 5.1 ± 0.61% and 74.7 ± 23.2% in winter and summer, respectively, within the stream network. The study found that in the summer, denitrification rates were about two times higher in lowland sub-catchments dominated by agricultural lands than in mountainous sub-catchments dominated by forested areas, with median ± SD of 204 ± 22.6 and 102 ± 22.1 mg N m-2 d-1, respectively. Similarly, assimilatory uptake rates were approximately five times higher in streams surrounded by lowland agricultural areas than in those in higher-elevation, forested areas, with median ± SD of 200 ± 27.1 and 39.1 ± 8.7 mg N m-2 d-1, respectively. Therefore, restoration strategies targeting lowland agricultural areas may have greater potential for increasing nitrate retention. The study also found that restoring stream sinuosity could increase net nitrate retention efficiency by up to 25.4 ± 5.3%, with greater effects seen in small streams. These results suggest that restoration efforts should consider augmenting stream sinuosity to increase nitrate retention and decrease nitrate concentrations at the catchment scale.
To what extent cities can be made sustainable under the mega-trends of urbanization and climate change remains a matter of unresolved scientific debate. Our inability in answering this question lies partly in the deficient knowledge regarding pivotal humanenvironment interactions. Regarded as the most well documented anthropogenic climate modification, the urban heat island (UHI) effect – the warmth of urban areas relative to the rural hinterland – has raised great public health concerns globally. Worse still, heat waves are being observed and are projected to increase in both frequency and intensity, which further impairs the well-being of urban dwellers. Albeit with a substantial increase in the number of publications on UHI in the recent decades, the diverse urban-rural definitions applied in previous studies have remarkably hampered the general comparability of results achieved. In addition, few studies have attempted to synergize the land use data and thermal remote sensing to systematically assess UHI and its contributing factors.
Given these research gaps, this work presents a general framework to systematically quantify the UHI effect based on an automated algorithm, whereby cities are defined as clusters of maximum spatial continuity on the basis of land use data, with their rural hinterland being defined analogously. By combining land use data with spatially explicit surface skin temperatures from satellites, the surface UHI intensity can be calculated in a consistent and robust manner. This facilitates monitoring, benchmarking, and categorizing UHI intensities for cities across scales. In light of this innovation, the relationship between city size and UHI intensity has been investigated, as well as the contributions of urban form indicators to the UHI intensity.
This work delivers manifold contributions to the understanding of the UHI, which have complemented and advanced a number of previous studies. Firstly, a log-linear relationship between surface UHI intensity and city size has been confirmed among the 5,000 European cities. The relationship can be extended to a log-logistic one, when taking a wider range of small-sized cities into account. Secondly, this work reveals a complex interplay between UHI intensity and urban form. City size is found to have the strongest influence on the UHI intensity, followed by the fractality and the anisometry. However, their relative contributions to the surface UHI intensity depict a pronounced regional heterogeneity, indicating the importance of considering spatial patterns of UHI while implementing UHI adaptation measures.
Lastly, this work presents a novel seasonality of the UHI intensity for individual clusters in the form of hysteresis-like curves, implying a phase shift between the time series of UHI intensity and background temperatures. Combining satellite observation and urban boundary layer simulation, the seasonal variations of UHI are assessed from both screen and skin levels. Taking London as an example, this work ascribes the discrepancies between the seasonality observed at different levels mainly to the peculiarities of surface skin temperatures associated with the incoming solar radiation. In addition, the efforts in classifying cities according to their UHI characteristics highlight the important role of regional climates in determining the UHI.
This work serves as one of the first studies conducted to systematically and statistically scrutinize the UHI. The outcomes of this work are of particular relevance for the overall spatial planning and regulation at meso- and macro levels in order to harness the benefits of rapid urbanization, while proactively minimizing its ensuing thermal stress.
Noise is ubiquitous in nature and usually results in rich dynamics in stochastic systems such as oscillatory systems, which exist in such various fields as physics, biology and complex networks. The correlation and synchronization of two or many oscillators are widely studied topics in recent years.
In this thesis, we mainly investigate two problems, i.e., the stochastic bursting phenomenon in noisy excitable systems and synchronization in a three-dimensional Kuramoto model with noise. Stochastic bursting here refers to a sequence of coherent spike train, where each spike has random number of followers due to the combined effects of both time delay and noise. Synchronization, as a universal phenomenon in nonlinear dynamical systems, is well illustrated in the Kuramoto model, a prominent model in the description of collective motion.
In the first part of this thesis, an idealized point process, valid if the characteristic timescales in the problem are well separated, is used to describe statistical properties such as the power spectral density and the interspike interval distribution. We show how the main parameters of the point process, the spontaneous excitation rate, and the probability to induce a spike during the delay action can be calculated from the solutions of a stationary and a forced Fokker-Planck equation. We extend it to the delay-coupled case and derive analytically the statistics of the spikes in each neuron, the pairwise correlations between any two neurons, and the spectrum of the total output from the network.
In the second part, we investigate the three-dimensional noisy Kuramoto model, which can be used to describe the synchronization in a swarming model with helical trajectory. In the case without natural frequency, the Kuramoto model can be connected with the Vicsek model, which is widely studied in collective motion and swarming of active matter. We analyze the linear stability of the incoherent state and derive the critical coupling strength above which the incoherent state loses stability. In the limit of no natural frequency, an exact self-consistent equation of the mean field is derived and extended straightforward to any high-dimensional case.
The plasmasphere is a dynamic region of cold, dense plasma surrounding the Earth. Its shape and size are highly susceptible to variations in solar and geomagnetic conditions. Having an accurate model of plasma density in the plasmasphere is important for GNSS navigation and for predicting hazardous effects of radiation in space on spacecraft. The distribution of cold plasma and its dynamic dependence on solar wind and geomagnetic conditions remain, however, poorly quantified. Existing empirical models of plasma density tend to be oversimplified as they are based on statistical averages over static parameters. Understanding the global dynamics of the plasmasphere using observations from space remains a challenge, as existing density measurements are sparse and limited to locations where satellites can provide in-situ observations. In this dissertation, we demonstrate how such sparse electron density measurements can be used to reconstruct the global electron density distribution in the plasmasphere and capture its dynamic dependence on solar wind and geomagnetic conditions.
First, we develop an automated algorithm to determine the electron density from in-situ measurements of the electric field on the Van Allen Probes spacecraft. In particular, we design a neural network to infer the upper hybrid resonance frequency from the dynamic spectrograms obtained with the Electric and Magnetic Field Instrument Suite and Integrated Science (EMFISIS) instrumentation suite, which is then used to calculate the electron number density. The developed Neural-network-based Upper hybrid Resonance Determination (NURD) algorithm is applied to more than four years of EMFISIS measurements to produce the publicly available electron density data set.
We utilize the obtained electron density data set to develop a new global model of plasma density by employing a neural network-based modeling approach. In addition to the location, the model takes the time history of geomagnetic indices and location as inputs, and produces electron density in the equatorial plane as an output. It is extensively validated using in-situ density measurements from the Van Allen Probes mission, and also by comparing the predicted global evolution of the plasmasphere with the global IMAGE EUV images of He+ distribution. The model successfully reproduces erosion of the plasmasphere on the night side as well as plume formation and evolution, and agrees well with data.
The performance of neural networks strongly depends on the availability of training data, which is limited during intervals of high geomagnetic activity. In order to provide reliable density predictions during such intervals, we can employ physics-based modeling. We develop a new approach for optimally combining the neural network- and physics-based models of the plasmasphere by means of data assimilation. The developed approach utilizes advantages of both neural network- and physics-based modeling and produces reliable global plasma density reconstructions for quiet, disturbed, and extreme geomagnetic conditions.
Finally, we extend the developed machine learning-based tools and apply them to another important problem in the field of space weather, the prediction of the geomagnetic index Kp. The Kp index is one of the most widely used indicators for space weather alerts and serves as input to various models, such as for the thermosphere, the radiation belts and the plasmasphere. It is therefore crucial to predict the Kp index accurately. Previous work in this area has mostly employed artificial neural networks to nowcast and make short-term predictions of Kp, basing their inferences on the recent history of Kp and solar wind measurements at L1. We analyze how the performance of neural networks compares to other machine learning algorithms for nowcasting and forecasting Kp for up to 12 hours ahead. Additionally, we investigate several machine learning and information theory methods for selecting the optimal inputs to a predictive model of Kp. The developed tools for feature selection can also be applied to other problems in space physics in order to reduce the input dimensionality and identify the most important drivers.
Research outlined in this dissertation clearly demonstrates that machine learning tools can be used to develop empirical models from sparse data and also can be used to understand the underlying physical processes. Combining machine learning, physics-based modeling and data assimilation allows us to develop novel methods benefiting from these different approaches.
Evaluation of nitrogen dynamics in high-order streams and rivers based on high-frequency monitoring
(2023)
Nutrient storage, transform and transport are important processes for achieving environmental and ecological health, as well as conducting water management plans. Nitrogen is one of the most noticeable elements due to its impacts on tremendous consequences of eutrophication in aquatic systems. Among all nitrogen components, researches on nitrate are blooming because of widespread deployments of in-situ high-frequency sensors. Monitoring and studying nitrate can become a paradigm for any other reactive substances that may damage environmental conditions and cause economic losses.
Identifying nitrate storage and its transport within a catchment are inspiring to the management of agricultural activities and municipal planning. Storm events are periods when hydrological dynamics activate the exchange between nitrate storage and flow pathways. In this dissertation, long-term high-frequency monitoring data at three gauging stations in the Selke river were used to quantify event-scale nitrate concentration-discharge (C-Q) hysteretic relationships. The Selke catchment is characterized into three nested subcatchments by heterogeneous physiographic conditions and land use. With quantified hysteresis indices, impacts of seasonality and landscape gradients on C-Q relationships are explored. For example, arable area has deep nitrate legacy and can be activated with high intensity precipitation during wetting/wet periods (i.e., the strong hydrological connectivity). Hence, specific shapes of C-Q relationships in river networks can identify targeted locations and periods for agricultural management actions within the catchment to decrease nitrate output into downstream aquatic systems like the ocean.
The capacity of streams for removing nitrate is of both scientific and social interest, which makes the quantification motivated. Although measurements of nitrate dynamics are advanced compared to other substances, the methodology to directly quantify nitrate uptake pathways is still limited spatiotemporally. The major problem is the complex convolution of hydrological and biogeochemical processes, which limits in-situ measurements (e.g., isotope addition) usually to small streams with steady flow conditions. This makes the extrapolation of nitrate dynamics to large streams highly uncertain. Hence, understanding of in-stream nitrate dynamic in large rivers is still necessary. High-frequency monitoring of nitrate mass balance between upstream and downstream measurement sites can quantitatively disentangle multi-path nitrate uptake dynamics at the reach scale (3-8 km). In this dissertation, we conducted this approach in large stream reaches with varying hydro-morphological and environmental conditions for several periods, confirming its success in disentangling nitrate uptake pathways and their temporal dynamics. Net nitrate uptake, autotrophic assimilation and heterotrophic uptake were disentangled, as well as their various diel and seasonal patterns. Natural streams generally can remove more nitrate under similar environmental conditions and heterotrophic uptake becomes dominant during post-wet seasons. Such two-station monitoring provided novel insights into reach-scale nitrate uptake processes in large streams.
Long-term in-stream nitrate dynamics can also be evaluated with the application of water quality model. This is among the first time to use a data-model fusion approach to upscale the two-station methodology in large-streams with complex flow dynamics under long-term high-frequency monitoring, assessing the in-stream nitrate retention and its responses to drought disturbances from seasonal to sub-daily scale. Nitrate retention (both net uptake and net release) exhibited substantial seasonality, which also differed in the investigated normal and drought years. In the normal years, winter and early spring seasons exhibited extensive net releases, then general net uptake occurred after the annual high-flow season at later spring and early summer with autotrophic processes dominating and during later summer-autumn low-flow periods with heterotrophy-characteristics predominating. Net nitrate release occurred since late autumn until the next early spring. In the drought years, the late-autumn net releases were not so consistently persisted as in the normal years and the predominance of autotrophic processes occurred across seasons. Aforementioned comprehensive results of nitrate dynamics on stream scale facilitate the understanding of instream processes, as well as raise the importance of scientific monitoring schemes for hydrology and water quality parameters.
Completely water-based systems are of interest for the development of novel material for various reasons: On one hand, they provide benign environment for biological systems and on the other hand they facilitate effective molecular transport in a membrane-free environment. In order to investigate the general potential of aqueous two-phase systems (ATPSs) for biomaterials and compartmentalized systems, various solid particles were applied to stabilize all-aqueous emulsion droplets. The target ATPS to be investigated should be prepared via mixing of two aqueous solutions of water-soluble polymers, which turn biphasic when exceeding a critical polymer concentration. Hydrophilic polymers with a wide range of molar mass such as dextran/poly(ethylene glycol) (PEG) can therefore be applied. Solid particles adsorbed at the interfaces can be exceptionally efficient stabilizers forming so-called Pickering emulsions, and nanoparticles can bridge the correlation length of polymer solutions and are thereby the best option for water-in-water emulsions.
The first approach towards the investigation of ATPS was conducted with all aqueous dextran-PEG emulsions in the presence of poly(dopamine) particles (PDP) in Chapter 4. The water-in-water emulsions were formed with a PEG/dextran system via utilizing PDP as stabilizers. Studies of the formed emulsions were performed via laser scanning confocal microscope (CLSM), optical microscope (OM), cryo-scanning electron microscope (SEM) and tensiometry. The stable emulsions (at least 16 weeks) were demulsified easily via dilution or surfactant addition. Furthermore, the solid PDP at the water-water interface were crosslinked in order to inhibit demulsification of the Pickering emulsion. Transmission electron microscope (TEM) and scanning electron microscope (SEM) were used to visualize the morphology of PDP before and after crosslinking. PDP stabilized water-in-water emulsions were utilized in the following Chapter 5 to form supramolecular compartmentalized hydrogels. Here, hydrogels were prepared in pre-formed water-in-water emulsions and gelled via α-cyclodextrin-PEG (α-CD-PEG) inclusion complex formation. Studies of the formed complexes were performed via X-ray powder diffraction (XRD) and the mechanical properties of the hydrogels were measured with oscillatory shear rheology. In order to verify the compartmentalized state and its triggered decomposition, hydrogels and emulsions were assessed via OM, SEM and CLSM. The last chapter broadens the investigations from the previous two systems by utilizing various carbon nitrides (CN) as different stabilizers in ATPS. CN introduces another way to trigger demulsification, namely irradiation with visible light. Therefore, emulsification and demulsification with various triggers were probed. The investigated all aqueous multi-phase systems will act as model for future fabrication of biocompatible materials, cell micropatterning as well as separation of compartmentalized systems.
Microfabricated solid-state surfaces, also called atom chip', have become a well-established technique to trap and manipulate atoms. This has simplified applications in atom interferometry, quantum information processing, and studies of many-body systems. Magnetic trapping potentials with arbitrary geommetries are generated with atom chip by miniaturized current-carrying conductors integrated on a solid substrate. Atoms can be trapped and cooled to microKelvin and even nanoKelvin temperatures in such microchip trap. However, cold atoms can be significantly perturbed by the chip surface, typically held at room temperature. The magnetic field fluctuations generated by thermal currents in the chip elements may induce spin flips of atoms and result in loss, heating and decoherence. In this thesis, we extend previous work on spin flip rates induced by magnetic noise and consider the more complex geometries that are typically encountered in atom chips: layered structures and metallic wires of finite cross-section. We also discuss a few aspects of atom chips traps built with superconducting structures that have been suggested as a means to suppress magnetic field fluctuations. The thesis describes calculations of spin flip rates based on magnetic Green functions that are computed analytically and numerically. For a chip with a top metallic layer, the magnetic noise depends essentially on the thickness of that layer, as long as the layers below have a much smaller conductivity. Based on this result, scaling laws for loss rates above a thin metallic layer are derived. A good agreement with experiments is obtained in the regime where the atom-surface distance is comparable to the skin depth of metal. Since in the experiments, metallic layers are always etched to separate wires carrying different currents, the impact of the finite lateral wire size on the magnetic noise has been taken into account. The local spectrum of the magnetic field near a metallic microstructure has been investigated numerically with the help of boundary integral equations. The magnetic noise significantly depends on polarizations above flat wires with finite lateral width, in stark contrast to an infinitely wide wire. Correlations between multiple wires are also taken into account. In the last part, superconducting atom chips are considered. Magnetic traps generated by superconducting wires in the Meissner state and the mixed state are studied analytically by a conformal mapping method and also numerically. The properties of the traps created by superconducting wires are investigated and compared to normal conducting wires: they behave qualitatively quite similar and open a route to further trap miniaturization, due to the advantage of low magnetic noise. We discuss critical currents and fields for several geometries.
This thesis aimed to investigate several fundamental and perplexing questions relating to the phloem loading and transport mechanisms of Cucurbita maxima, by combining metabolomic analysis with cell biological techniques. This putative symplastic loading species has long been used for experiments on phloem anatomy, phloem biochemistry, phloem transport physiology and phloem signalling. Symplastic loading species have been proposed to use a polymer trapping mechanism to accumulate RFO (raffinose family oligosaccharides) sugars to build up high osmotic pressure in minor veins which sustains a concentration gradient that drives mass flow. However, extensive evidence indicating a low sugar concentration in their phloem exudates is a long-known problem that conflicts with this hypothesis. Previous metabolomic analysis shows the concentration of many small molecules in phloem exudates is higher than that of leaf tissues, which indicates an active apoplastic loading step. Therefore, in the view of the phloem metabolome, a symplastic loading mechanism cannot explain how small molecules other than RFO sugars are loaded into phloem. Most studies of phloem physiology using cucurbits have neglected the possible functions of vascular architecture in phloem transport. It is well known that there are two phloem systems in cucurbits with distinctly different anatomical features: central phloem and extrafascicular phloem. However, mistaken conclusions on sources of cucurbit phloem exudation from previous reports have hindered consideration of the idea that there may be important differences between these two phloem systems. The major results are summarized as below: 1) O-linked glycans in C.maxima were structurally identified as beta-1,3 linked glucose polymers, and the composition of glycans in cucurbits was found to be species-specific. Inter-species grafting experiments proved that these glycans are phloem mobile and transported uni-directionally from scion to stock. 2) As indicated by stable isotopic labelling experiments, a considerable amount of carbon is incorporated into small metabolites in phloem exudates. However, the incorporation of carbon into RFO sugars is much faster than for other metabolites. 3) Both CO2 labelling experiments and comparative metabolomic analysis of phloem exudates and leaf tissues indicated that metabolic processes other than RFO sugar metabolism play an important role in cucurbit phloem physiology. 4) The underlying assumption that the central phloem of cucurbits continuously releases exudates after physical incision was proved wrong by rigorous experiments including direct observation by normal microscopy and combined multiple-microscopic methods. Errors in previous experimental confirmation of phloem exudation in cucurbits are critically discussed. 5) Extrafascicular phloem was proved to be functional, as indicated by phloem-mobile carboxyfluorescein tracer studies. Commissural sieve tubes interconnect phloem bundles into a complete super-symplastic network. 6) Extrafascicular phloem represents the main source of exudates following physical incision. The major transported metabolites by these extrafacicular phloem are non-sugar compounds including amino acids, O-glycans, amines. 7) Central phloem contains almost exclusively RFO sugars, the estimated amount of which is up to 1 to 2 molar. The major RFO sugar present in central phloem is stachyose. 8) Cucurbits utilize two structurally different phloem systems for transporting different group of metabolites (RFO sugars and non-RFO sugar compounds). This implies that cucurbits may use spatially separated loading mechanisms (apoplastic loading for extrafascicular phloem and symplastic loading for central phloem) for supply of nutrients to sinks. 9) Along the transport systems, RFO sugars were mainly distributed within central phloem tissues. There were only small amounts of RFO sugars present in xylem tissues (millimolar range) and trace amounts of RFO sugars in cortex and pith. The composition of small molecules in external central phloem is very different from that in internal central phloem. 10) Aggregated P-proteins were manually dissected from central phloem and analysed by both SDS-PAGE and mass spectrometry. Partial sequences of peptides were obtained by QTOF de novo sequencing from trypsin digests of three SDS-PAGE bands. None of these partial sequences shows significant homology to known cucurbit phloem proteins or other plant proteins. This proves that these central phloem proteins are a completely new group of proteins different from those in extrafascicular phloem. The extensively analysed P-proteins reported in literature to date are therefore now shown to arise from extrafascicular phloem and not central phloem, and therefore do not appear to be involved in the occlusion processes in central phloem.
In the present thesis I investigate the lattice dynamics of thin film hetero structures of magnetically ordered materials upon femtosecond laser excitation as a probing and manipulation scheme for the spin system. The quantitative assessment of laser induced thermal dynamics as well as generated picosecond acoustic pulses and their respective impact on the magnetization dynamics of thin films is a challenging endeavor. All the more, the development and implementation of effective experimental tools and comprehensive models are paramount to propel future academic and technological progress.
In all experiments in the scope of this cumulative dissertation, I examine the crystal lattice of nanoscale thin films upon the excitation with femtosecond laser pulses. The relative change of the lattice constant due to thermal expansion or picosecond strain pulses is directly monitored by an ultrafast X-ray diffraction (UXRD) setup with a femtosecond laser-driven plasma X-ray source (PXS). Phonons and spins alike exert stress on the lattice, which responds according to the elastic properties of the material, rendering the lattice a versatile sensor for all sorts of ultrafast interactions. On the one hand, I investigate materials with strong magneto-elastic properties; The highly magnetostrictive rare-earth compound TbFe2, elemental Dysprosium or the technological relevant Invar material FePt. On the other hand I conduct a comprehensive study on the lattice dynamics of Bi1Y2Fe5O12 (Bi:YIG), which exhibits high-frequency coherent spin dynamics upon femtosecond laser excitation according to the literature. Higher order standing spinwaves (SSWs) are triggered by coherent and incoherent motion of atoms, in other words phonons, which I quantified with UXRD. We are able to unite the experimental observations of the lattice and magnetization dynamics qualitatively and quantitatively. This is done with a combination of multi-temperature, elastic, magneto-elastic, anisotropy and micro-magnetic modeling.
The collective data from UXRD, to probe the lattice, and time-resolved magneto-optical Kerr effect (tr-MOKE) measurements, to monitor the magnetization, were previously collected at different experimental setups. To improve the precision of the quantitative assessment of lattice and magnetization dynamics alike, our group implemented a combination of UXRD and tr-MOKE in a singular experimental setup, which is to my knowledge, the first of its kind. I helped with the conception and commissioning of this novel experimental station, which allows the simultaneous observation of lattice and magnetization dynamics on an ultrafast timescale under identical excitation conditions. Furthermore, I developed a new X-ray diffraction measurement routine which significantly reduces the measurement time of UXRD experiments by up to an order of magnitude. It is called reciprocal space slicing (RSS) and utilizes an area detector to monitor the angular motion of X-ray diffraction peaks, which is associated with lattice constant changes, without a time-consuming scan of the diffraction angles with the goniometer. RSS is particularly useful for ultrafast diffraction experiments, since measurement time at large scale facilities like synchrotrons and free electron lasers is a scarce and expensive resource. However, RSS is not limited to ultrafast experiments and can even be extended to other diffraction techniques with neutrons or electrons.
The aim of this thesis is the quantum dynamical study of two examples of scanning tunneling microscope (STM)-controllable, Si(100)(2x1) surface-mounted switches of atomic and molecular scale. The first example considers the switching of single H-atoms between two dangling-bond chemisorption sites on a Si-dimer of the Si(100) surface (Grey et al., 1996). The second system examines the conformational switching of single 1,5-cyclooctadiene molecules chemisorbed on the Si(100) surface (Nacci et al., 2008). The temporal dynamics are provided by the propagation of the density matrix in time via an according set of equations of motion (EQM). The latter are based on the open-system density matrix theory in Lindblad form. First order perturbation theory is used to evaluate those transition rates between vibrational levels of the system part. In order to account for interactions with the surface phonons, two different dissipative models are used, namely the bilinear, harmonic and the Ohmic bath model. IET-induced vibrational transitions in the system are due to the dipole- and the resonance-mechanism. A single surface approach is used to study the influence of dipole scattering and resonance scattering in the below-threshold regime. Further, a second electronic surface was included to study the resonance-induced switching in the above-threshold regime. Static properties of the adsorbate, e.g., potentials and dipole function and potentials, are obtained from quantum chemistry and used within the established quantum dynamical models.