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Die Bienaymé-Galton-Watson Prozesse können für die Untersuchung von speziellen und sich entwickelnden Populationen verwendet werden. Die Populationen umfassen Individuen, welche sich identisch, zufällig, selbstständig und unabhängig voneinander fortpflanzen und die jeweils nur eine Generation existieren. Die n-te Generation ergibt sich als zufällige Summe der Individuen der (n-1)-ten Generation. Die Relevanz dieser Prozesse begründet sich innerhalb der Historie und der inner- und außermathematischen Bedeutung. Die Geschichte der Bienaymé-Galton-Watson-Prozesse wird anhand der Entwicklung des Konzeptes bis heute dargestellt. Dabei werden die Wissenschaftler:innen verschiedener Disziplinen angeführt, die Erkenntnisse zu dem Themengebiet beigetragen und das Konzept in ihren Fachbereichen angeführt haben. Somit ergibt sich die außermathematische Signifikanz. Des Weiteren erhält man die innermathematische Bedeutsamkeit mittels des Konzeptes der Verzweigungsprozesse, welches auf die Bienaymé-Galton-Watson Prozesse zurückzuführen ist. Die Verzweigungsprozesse stellen eines der aussagekräftigsten Modelle für die Beschreibung des Populationswachstums dar. Darüber hinaus besteht die derzeitige Wichtigkeit durch die Anwendungsmöglichkeit der Verzweigungsprozesse und der Bienaymé-Galton-Watson Prozesse innerhalb der Epidemiologie. Es werden die Ebola- und die Corona-Pandemie als Anwendungsfelder angeführt. Die Prozesse dienen als Entscheidungsstütze für die Politik und ermöglichen Aussagen über die Auswirkungen von Maßnahmen bezüglich der Pandemien. Neben den Prozessen werden ebenfalls der bedingte Erwartungswert bezüglich diskreter Zufallsvariablen, die wahrscheinlichkeitserzeugende Funktion und die zufällige Summe eingeführt. Die Konzepte vereinfachen die Beschreibung der Prozesse und bilden somit die Grundlage der Betrachtungen. Außerdem werden die benötigten und weiterführenden Eigenschaften der grundlegenden Themengebiete und der Prozesse aufgeführt und bewiesen. Das Kapitel erreicht seinen Höhepunkt bei dem Beweis des Kritikalitätstheorems, wodurch eine Aussage über das Aussterben des Prozesses in verschiedenen Fällen und somit über die Aussterbewahrscheinlichkeit getätigt werden kann. Die Fälle werden anhand der zu erwartenden Anzahl an Nachkommen eines Individuums unterschieden. Es zeigt sich, dass ein Prozess bei einer zu erwartenden Anzahl kleiner gleich Eins mit Sicherheit ausstirbt und bei einer Anzahl größer als Eins, die Population nicht in jedem Fall aussterben muss. Danach werden einzelne Beispiele, wie der linear fractional case, die Population von Fibroblasten (Bindegewebszellen) von Mäusen und die Entstehungsfragestellung der Prozesse, angeführt. Diese werden mithilfe der erlangten Ergebnisse untersucht und einige ausgewählte zufällige Dynamiken werden im nachfolgenden Kapitel simuliert. Die Simulationen erfolgen durch ein in Python erstelltes Programm und werden mithilfe der Inversionsmethode realisiert. Die Simulationen stellen beispielhaft die Entwicklungen in den verschiedenen Kritikalitätsfällen der Prozesse dar. Zudem werden die Häufigkeiten der einzelnen Populationsgrößen in Form von Histogrammen angebracht. Dabei lässt sich der Unterschied zwischen den einzelnen Fällen bestätigen und es wird die Anwendungsmöglichkeit der Bienaymé-Galton-Watson Prozesse bei komplexeren Problemen deutlich. Histogramme bekräftigen, dass die einzelnen Populationsgrößen nur endlich oft vorkommen. Diese Aussage wurde von Galton aufgeworfen und in der Extinktions-Explosions-Dichotomie verwendet. Die dargestellten Erkenntnisse über das Themengebiet und die Betrachtung des Konzeptes werden mit einer didaktischen Analyse abgeschlossen. Die Untersuchung beinhaltet die Berücksichtigung der Fundamentalen Ideen, der Fundamentalen Ideen der Stochastik und der Leitidee „Daten und Zufall“. Dabei ergibt sich, dass in Abhängigkeit der gewählten Perspektive die Anwendung der Bienaymé-Galton-Watson Prozesse innerhalb der Schule plausibel ist und von Vorteil für die Schüler:innen sein kann. Für die Behandlung wird exemplarisch der Rahmenlehrplan für Berlin und Brandenburg analysiert und mit dem Kernlehrplan Nordrhein-Westfalens verglichen. Die Konzeption des Lehrplans aus Berlin und Brandenburg lässt nicht den Schluss zu, dass die Bienaymé-Galton-Watson Prozesse angewendet werden sollten. Es lässt sich feststellen, dass die zugrunde liegende Leitidee nicht vollumfänglich mit manchen Fundamentalen Ideen der Stochastik vereinbar ist. Somit würde eine Modifikation hinsichtlich einer stärkeren Orientierung des Lehrplans an den Fundamentalen Ideen die Anwendung der Prozesse ermöglichen. Die Aussage wird durch die Betrachtung und Übertragung eines nordrhein-westfälischen Unterrichtsentwurfes für stochastische Prozesse auf die Bienaymé-Galton-Watson Prozesse unterstützt. Darüber hinaus werden eine Concept Map und ein Vernetzungspentagraph nach von der Bank konzipiert um diesen Aspekt hervorzuheben.
The Epoch of Reionization marks after recombination the second major change in the ionization state of the universe, going from a neutral to an ionized state. It starts with the appearance of the first stars and galaxies; a fraction of high-energy photons emitted from galaxies permeate into the intergalactic medium (IGM) and gradually ionize the hydrogen, until the IGM is completely ionized at z~6 (Fan et al., 2006). While the progress of reionization is driven by galaxy evolution, it changes the ionization and thermal state of the IGM substantially and affects subsequent structure and galaxy formation by various feedback mechanisms.
Understanding this interaction between reionization and galaxy formation is further impeded by a lack of understanding of the high-redshift galactic properties such as the dust distribution and the escape fraction of ionizing photons. Lyman Alpha Emitters (LAEs) represent a sample of high-redshift galaxies that are sensitive to all these galactic properties and the effects of reionization.
In this thesis we aim to understand the progress of reionization by performing cosmological simulations, which allows us to investigate the limits of constraining reionization by high-redshift galaxies as LAEs, and examine how galactic properties and the ionization state of the IGM affect the visibility and observed quantities of LAEs and Lyman Break galaxies (LBGs).
In the first part of this thesis we focus on performing radiative transfer calculations to simulate reionization. We have developed a mapping-sphere-scheme, which, starting from spherically averaged temperature and density fields, uses our 1D radiative transfer code and computes the effect of each source on the IGM temperature and ionization (HII, HeII, HeIII) profiles, which are subsequently mapped onto a grid. Furthermore we have updated the 3D Monte-Carlo radiative transfer pCRASH, enabling detailed reionization simulations which take individual source characteristics into account.
In the second part of this thesis we perform a reionization simulation by post-processing a smoothed-particle hydrodynamical (SPH) simulation (GADGET-2) with 3D radiative transfer (pCRASH), where the ionizing sources are modelled according to the characteristics of the stellar populations in the hydrodynamical simulation. Following the ionization fractions of hydrogen (HI) and helium (HeII, HeIII), and temperature in our simulation, we find that reionization starts at z~11 and ends at z~6, and high density regions near sources are ionized earlier than low density regions far from sources.
In the third part of this thesis we couple the cosmological SPH simulation and the radiative transfer simulations with a physically motivated, self-consistent model for LAEs, in order to understand the importance of the ionization state of the IGM, the escape fraction of ionizing photons from galaxies and dust in the interstellar medium (ISM) on the visibility of LAEs. Comparison of our models results with the LAE Lyman Alpha (Lya) and UV luminosity functions at z~6.6 reveals a three-dimensional degeneracy between the ionization state of the IGM, the ionizing photons escape fraction and the ISM dust distribution, which implies that LAEs act not only as tracers of reionization but also of the ionizing photon escape fraction and of the ISM dust distribution. This degeneracy does not even break down when we compare simulated with observed clustering of LAEs at z~6.6. However, our results show that reionization has the largest impact on the amplitude of the LAE angular correlation functions, and its imprints are clearly distinguishable from those of properties on galactic scales. These results show that reionization cannot be constrained tightly by exclusively using LAE observations. Further observational constraints, e.g. tomographies of the redshifted hydrogen 21cm line, are required.
In addition we also use our LAE model to probe the question when a galaxy is visible as a LAE or a LBG. Within our model galaxies above a critical stellar mass can produce enough luminosity to be visible as a LBG and/or a LAE. By finding an increasing duty cycle of LBGs with Lya emission as the UV magnitude or stellar mass of the galaxy rises, our model reveals that the brightest (and most massive) LBGs most often show Lya emission.
Predicting the Lya equivalent width (Lya EW) distribution and the fraction of LBGs showing Lya emission at z~6.6, we reproduce the observational trend of the Lya EWs with UV magnitude. However, the Lya EWs of the UV brightest LBGs exceed observations and can only be reconciled by accounting for an increased Lya attenuation of massive galaxies, which implies that the observed Lya brightest LAEs do not necessarily coincide with the UV brightest galaxies. We have analysed the dependencies of LAE observables on the properties of the galactic and intergalactic medium and the LAE-LBG connection, and this enhances our understanding of the nature of LAEs.
A polymer is a large molecule made up of many elementary chemical units, joined together by covalent bonds (for example, polyethylene). Polyelectrolytes (PELs) are polymer chains containing a certain amount of ionizable monomers. With their specific properties PELs acquire big importance in molecular and cell biology as well as in technology. Compared to neutral polymers the theory of PELs is less understood. In particular, this is valid for PELs in poor solvents. A poor solvent environment causes an effective attraction between monomers. Hence, for PELs in a poor solvent, there occurs a competition between attraction and repulsion. Strong or quenched PELs are completely dissociated at any accessible pH. The position of charges along the chain is fixed by chemical synthesis. On the other hand, in weak or annealed PELs dissociation of charges depends on solution pH. For the first time the simulation results have given direct evidence that at rather poor solvents an annealed PEL indeed undergoes a first-order phase transition when the chemical potential (solution pH) reaches at a certain value. The discontinuous transition occurs between a weakly charged compact globular structure and a strongly charged stretched configuration. At not too poor solvents theory predicts that globule would become unstable with respect to the formation of pearl-necklaces. The results show that pearl-necklaces exist in annealed PELs indeed. Furthermore, as predicted by theory, the simulation results have shown that annealed PELs display a sharp transition from a highly charged stretched state to a weakly charged globule at a critical salt concentration.
In many procedures of seismic risk mitigation, ground motion simulations are needed to test systems or improve their effectiveness. For example they may be used to estimate the level of ground shaking caused by future earthquakes. Good physical models for ground motion simulation are also thought to be important for hazard assessment, as they could close gaps in the existing datasets. Since the observed ground motion in nature shows a certain variability, part of which cannot be explained by macroscopic parameters such as magnitude or position of an earthquake, it would be desirable that a good physical model is not only able to produce one single seismogram, but also to reveal this natural variability.
In this thesis, I develop a method to model realistic ground motions in a way that is computationally simple to handle, permitting multiple scenario simulations. I focus on two aspects of ground motion modelling. First, I use deterministic wave propagation for the whole frequency range – from static deformation to approximately 10 Hz – but account for source variability by implementing self-similar slip distributions and rough fault interfaces. Second, I scale the source spectrum so that the modelled waveforms represent the correct radiated seismic energy. With this scaling I verify whether the energy magnitude is suitable as an explanatory variable, which characterises the amount of energy radiated at high frequencies – the advantage of the energy magnitude being that it can be deduced from observations, even in real-time.
Applications of the developed method for the 2008 Wenchuan (China) earthquake, the 2003 Tokachi-Oki (Japan) earthquake and the 1994 Northridge (California, USA) earthquake show that the fine source discretisations combined with the small scale source variability ensure that high frequencies are satisfactorily introduced, justifying the deterministic wave propagation approach even at high frequencies. I demonstrate that the energy magnitude can be used to calibrate the high-frequency content in ground motion simulations.
Because deterministic wave propagation is applied to the whole frequency range, the simulation method permits the quantification of the variability in ground motion due to parametric uncertainties in the source description. A large number of scenario simulations for an M=6 earthquake show that the roughness of the source as well as the distribution of fault dislocations have a minor effect on the simulated variability by diminishing directivity effects, while hypocenter location and rupture velocity more strongly influence the variability. The uncertainty in energy magnitude, however, leads to the largest differences of ground motion amplitude between different events, resulting in a variability which is larger than the one observed.
For the presented approach, this dissertation shows (i) the verification of the computational correctness of the code, (ii) the ability to reproduce observed ground motions and (iii) the validation of the simulated ground motion variability. Those three steps are essential to evaluate the suitability of the method for means of seismic risk mitigation.
Predicting Paris: Multi-Method Approaches to Forecast the Outcomes of Global Climate Negotiations
(2016)
We examine the negotiations held under the auspices of the United Nations Framework Convention of Climate Change in Paris, December 2015. Prior to these negotiations, there was considerable uncertainty about whether an agreement would be reached, particularly given that the world’s leaders failed to do so in the 2009 negotiations held in Copenhagen. Amid this uncertainty, we applied three different methods to predict the outcomes: an expert survey and two negotiation simulation models, namely the Exchange Model and the Predictioneer’s Game. After the event, these predictions were assessed against the coded texts that were agreed in Paris. The evidence suggests that combining experts’ predictions to reach a collective expert prediction makes for significantly more accurate predictions than individual experts’ predictions. The differences in the performance between the two different negotiation simulation models were not statistically significant.
Klossowski, who had originally started as a religious seeker of truth in his younger years, will – after his « reversal » – feel himself invested with the role of a « heretic » struggling with the libidinous search for truth. Even as the creator of a perverted metaphysics, he remains a seeker of the revelation of being, now in the role of the divine « adversary » who, thrown back on himself, tends to imitate a religious mystic. The divine is replaced by the whispers of the demon, which Klossowski experiences as « la complicité d'une force "démonique" » in the creation of his artworks. The Diana myth becomes a parable for the act of artistic creation. Sexuality, understood as the primordial ground of creative force that shapes the signe unique, the phantasm, shifts metaphysics to « phantasmaphysics » (Foucault), in which the mystery of the divine is exposed as a delusion (Wahnbild).
In dieser Arbeit werden nichtlineare Kopplungsmechanismen von akustischen Oszillatoren untersucht, die zu Synchronisation führen können. Aufbauend auf die Fragestellungen vorangegangener Arbeiten werden mit Hilfe theoretischer und experimenteller Studien sowie mit Hilfe numerischer Simulationen die Elemente der Tonentstehung in der Orgelpfeife und die Mechanismen der gegenseitigen Wechselwirkung von Orgelpfeifen identifiziert. Daraus wird erstmalig ein vollständig auf den aeroakustischen und fluiddynamischen Grundprinzipien basierendes nichtlinear gekoppeltes Modell selbst-erregter Oszillatoren für die Beschreibung des Verhaltens zweier wechselwirkender Orgelpfeifen entwickelt. Die durchgeführten Modellrechnungen werden mit den experimentellen Befunden verglichen. Es zeigt sich, dass die Tonentstehung und die Kopplungsmechanismen von Orgelpfeifen durch das entwickelte Oszillatormodell in weiten Teilen richtig beschrieben werden. Insbesondere kann damit die Ursache für den nichtlinearen Zusammenhang von Kopplungsstärke und Synchronisation des gekoppelten Zwei-Pfeifen Systems, welcher sich in einem nichtlinearen Verlauf der Arnoldzunge darstellt, geklärt werden. Mit den gewonnenen Erkenntnissen wird der Einfluss des Raumes auf die Tonentstehung bei Orgelpfeifen betrachtet. Dafür werden numerische Simulationen der Wechselwirkung einer Orgelpfeife mit verschiedenen Raumgeometrien, wie z. B. ebene, konvexe, konkave, und gezahnte Geometrien, exemplarisch untersucht. Auch der Einfluss von Schwellkästen auf die Tonentstehung und die Klangbildung der Orgelpfeife wird studiert. In weiteren, neuartigen Synchronisationsexperimenten mit identisch gestimmten Orgelpfeifen, sowie mit Mixturen wird die Synchronisation für verschiedene, horizontale und vertikale Pfeifenabstände in der Ebene der Schallabstrahlung, untersucht. Die dabei erstmalig beobachteten räumlich isotropen Unstetigkeiten im Schwingungsverhalten der gekoppelten Pfeifensysteme, deuten auf abstandsabhängige Wechsel zwischen gegen- und gleichphasigen Sychronisationsregimen hin. Abschließend wird die Möglichkeit dokumentiert, das Phänomen der Synchronisation zweier Orgelpfeifen durch numerische Simulationen, also der Behandlung der kompressiblen Navier-Stokes Gleichungen mit entsprechenden Rand- und Anfangsbedingungen, realitätsnah abzubilden. Auch dies stellt ein Novum dar.
Research on novel and advanced biomaterials is an indispensable step towards their applications in desirable fields such as tissue engineering, regenerative medicine, cell culture, or biotechnology. The work presented here focuses on such a promising material: polyelectrolyte multilayer (PEM) composed of hyaluronic acid (HA) and poly(L-lysine) (PLL). This gel-like polymer surface coating is able to accumulate (bio-)molecules such as proteins or drugs and release them in a controlled manner. It serves as a mimic of the extracellular matrix (ECM) in composition and intrinsic properties. These qualities make the HA/PLL multilayers a promising candidate for multiple bio-applications such as those mentioned above. The work presented aims at the development of a straightforward approach for assessment of multi-fractional diffusion in multilayers (first part) and at control of local molecular transport into or from the multilayers by laser light trigger (second part).
The mechanism of the loading and release is governed by the interaction of bioactives with the multilayer constituents and by the diffusion phenomenon overall. The diffusion of a molecule in HA/PLL multilayers shows multiple fractions of different diffusion rate. Approaches, that are able to assess the mobility of molecules in such a complex system, are limited. This shortcoming motivated the design of a novel evaluation tool presented here.
The tool employs a simulation-based approach for evaluation of the data acquired by fluorescence recovery after photobleaching (FRAP) method. In this approach, possible fluorescence recovery scenarios are primarily simulated and afterwards compared with the data acquired while optimizing parameters of a model until a sufficient match is achieved. Fluorescent latex particles of different sizes and fluorescein in an aqueous medium are utilized as test samples validating the analysis results. The diffusion of protein cytochrome c in HA/PLL multilayers is evaluated as well.
This tool significantly broadens the possibilities of analysis of spatiotemporal FRAP data, which originate from multi-fractional diffusion, while striving to be widely applicable. This tool has the potential to elucidate the mechanisms of molecular transport and empower rational engineering of the drug release systems.
The second part of the work focuses on the fabrication of such a spatiotemporarily-controlled drug release system employing the HA/PLL multilayer. This release system comprises different layers of various functionalities that together form a sandwich structure. The bottom layer, which serves as a reservoir, is formed by HA/PLL PEM deposited on a planar glass substrate. On top of the PEM, a layer of so-called hybrids is deposited. The hybrids consist of thermoresponsive poly(N-isopropylacrylamide) (PNIPAM) -based hydrogel microparticles with surface-attached gold nanorods. The layer of hybrids is intended to serve as a gate that controls the local molecular transport through the PEM–solution-interface. The possibility of stimulating the molecular transport by near-infrared (NIR) laser irradiation is being explored.
From several tested approaches for the deposition of hybrids onto the PEM surface, the drying-based approach was identified as optimal. Experiments, that examine the functionality of the fabricated sandwich at elevated temperature, document the reversible volume phase transition of the PEM-attached hybrids while sustaining the sandwich stability. Further, the gold nanorods were shown to effectively absorb light radiation in the tissue- and cell-friendly NIR spectral region while transducing the energy of light into heat. The rapid and reversible shrinkage of the PEM-attached hybrids was thereby achieved. Finally, dextran was employed as a model transport molecule. It loads into the PEM reservoir in a few seconds with the partition constant of 2.4, while it spontaneously releases in a slower, sustained manner. The local laser irradiation of the sandwich, which contains the fluorescein isothiocyanate tagged dextran, leads to a gradual reduction of fluorescence intensity in the irradiated region.
The release system fabricated employs renowned photoresponsivity of the hybrids in an innovative setting. The results of the research are a step towards a spatially-controlled on-demand drug release system that paves the way to spatiotemporally controlled drug release.
The approaches developed in this work have the potential to elucidate the molecular dynamics in ECM and to foster engineering of multilayers with properties tuned to mimic the ECM. The work aims at spatiotemporal control over the diffusion of bioactives and their presentation to the cells.
This study presents the development of 1D and 2D Surface Evolution Codes (SECs) and their coupling to any lithospheric-scale (thermo-)mechanical code with a quadrilateral structured surface mesh.
Both SECs involve diffusion as approach for hillslope processes and the stream power law to reflect riverbed incision. The 1D SEC settles sediment that was produced by fluvial incision in the appropriate minimum, while the supply-limited 2D SEC DANSER uses a fast filling algorithm to model sedimantation. It is based on a cellular automaton. A slope-dependent factor in the sediment flux extends the diffusion equation to nonlinear diffusion. The discharge accumulation is achieved with the D8-algorithm and an improved drainage accumulation routine. Lateral incision enhances the incision's modelling. Following empirical laws, it incises channels of several cells width.
The coupling method enables different temporal and spatial resolutions of the SEC and the thermo-mechanical code. It transfers vertical as well as horizontal displacements to the surface model. A weighted smoothing of the 3D surface displacements is implemented. The smoothed displacement vectors transmit the deformation by bilinear interpolation to the surface model. These interpolation methods ensure mass conservation in both directions and prevent the two surfaces from drifting apart.
The presented applications refer to the evolution of the Pamir orogen. A calibration of DANSER's parameters with geomorphological data and a DEM as initial topography highlights the advantage of lateral incision. Preserving the channel width and reflecting incision peaks in narrow channels, this closes the huge gap between current orogen-scale incision models and observed topographies.
River capturing models in a system of fault-bounded block rotations reaffirm the importance of the lateral incision routine for capturing events with channel initiation. The models show a low probability of river capturings with large deflection angles. While the probability of river capturing is directly depending on the uplift rate, the erodibility inside of a dip-slip fault speeds up headward erosion along the fault: The model's capturing speed increases within a fault.
Coupling DANSER with the thermo-mechanical code SLIM 3D emphasizes the versatility of the SEC. While DANSER has minor influence on the lithospheric evolution of an indenter model, the brittle surface deformation is strongly affected by its sedimentation, widening a basin in between two forming orogens and also the southern part of the southern orogen to south, east and west.
The North China Plain (NCP) is one of the most productive and intensive agricultural regions in China. High doses of mineral nitrogen (N) fertiliser, often combined with flood irrigation, are applied, resulting in N surplus, groundwater depletion and environmental pollution. The objectives of this thesis were to use the HERMES model to simulate the N cycle in winter wheat (Triticum aestivum L.)–summer maize (Zea mays L.) double crop rotations and show the performance of the HERMES model, of the new ammonia volatilisation sub-module and of the new nitrification inhibition tool in the NCP. Further objectives were to assess the models potential to save N and water on plot and county scale, as well as on short and long-term. Additionally, improved management strategies with the help of a model-based nitrogen fertiliser recommendation (NFR) and adapted irrigation, should be found.
Results showed that the HERMES model performed well under growing conditions of the NCP and was able to describe the relevant processes related to soil–plant interactions concerning N and water during a 2.5 year field experiment. No differences in grain yield between the real-time model-based NFR and the other treatments of the experiments on plot scale in Quzhou County could be found. Simulations with increasing amounts of irrigation resulted in significantly higher N leaching, higher N requirements of the NFR and reduced yields. Thus, conventional flood irrigation as currently practised by the farmers bears great uncertainties and exact irrigation amounts should be known for future simulation studies. In the best-practice scenario simulation on plot-scale, N input and N leaching, but also irrigation water could be reduced strongly within 2 years. Thus, the model-based NFR in combination with adapted irrigation had the highest potential to reduce nitrate leaching, compared to farmers practice and mineral N (Nmin)-reduced treatments. Also the calibrated and validated ammonia volatilisation sub-module of the HERMES model worked well under the climatic and soil conditions of northern China. Simple ammonia volatilisation approaches gave also satisfying results compared to process-oriented approaches. During the simulation with Ammonium sulphate Nitrate with nitrification inhibitor (ASNDMPP) ammonia volatilisation was higher than in the simulation without nitrification inhibitor, while the result for nitrate leaching was the opposite. Although nitrification worked well in the model, nitrification-born nitrous oxide emissions should be considered in future. Results of the simulated annual long-term (31 years) N losses in whole Quzhou County in Hebei Province were 296.8 kg N ha−1 under common farmers practice treatment and 101.7 kg N ha−1 under optimised treatment including NFR and automated irrigation (OPTai). Spatial differences in simulated N losses throughout Quzhou County, could only be found due to different N inputs. Simulations of an optimised treatment, could save on average more than 260 kg N ha−1a−1 from fertiliser input and 190 kg N ha−1a−1 from N losses and around 115.7 mm a−1 of water, compared to farmers practice. These long-term simulation results showed lower N and water saving potential, compared to short-term simulations and underline the necessity of long-term simulations to overcome the effect of high initial N stocks in soil.
Additionally, the OPTai worked best on clay loam soil except for a high simulated denitrification loss, while the simulations using farmers practice irrigation could not match the actual water needs resulting in yield decline, especially for winter wheat. Thus, a precise adaption of management to actual weather conditions and plant growth needs is necessary for future simulations. However, the optimised treatments did not seem to be able to maintain the soil organic matter pools, even with full crop residue input. Extra organic inputs seem to be required to maintain soil quality in the optimised treatments.
HERMES is a relatively simple model, with regard to data input requirements, to simulate the N cycle. It can offer interpretation of management options on plot, on county and regional scale for extension and research staff. Also in combination with other N and water saving methods the model promises to be a useful tool.
Modeling a secular trend by Monte Carlo simulation of height biased migration in a spatial network
(2017)
Background: In a recent Monte Carlo simulation, the clustering of body height of Swiss military conscripts within a spatial network with characteristic features of the natural Swiss geography was investigated. In this study I examined the effect of migration of tall individuals into network hubs on the dynamics of body height within the whole spatial network. The aim of this study was to simulate height trends. Material and methods: Three networks were used for modeling, a regular rectangular fishing net like network, a real world example based on the geographic map of Switzerland, and a random network. All networks contained between 144 and 148 districts and between 265-307 road connections. Around 100,000 agents were initially released with average height of 170 cm, and height standard deviation of 6.5 cm. The simulation was started with the a priori assumption that height variation within a district is limited and also depends on height of neighboring districts (community effect on height). In addition to a neighborhood influence factor, which simulates a community effect, body height dependent migration of conscripts between adjacent districts in each Monte Carlo simulation was used to re-calculate next generation body heights. In order to determine the direction of migration for taller individuals, various centrality measures for the evaluation of district importance within the spatial network were applied. Taller individuals were favored to migrate more into network hubs, backward migration using the same number of individuals was random, not biased towards body height. Network hubs were defined by the importance of a district within the spatial network. The importance of a district was evaluated by various centrality measures. In the null model there were no road connections, height information could not be delivered between the districts. Results: Due to the favored migration of tall individuals into network hubs, average body height of the hubs, and later, of the whole network increased by up to 0.1 cm per iteration depending on the network model. The general increase in height within the network depended on connectedness and on the amount of height information that was exchanged between neighboring districts. If higher amounts of neighborhood height information were exchanged, the general increase in height within the network was large (strong secular trend). The trend in the homogeneous fishnet like network was lowest, the trend in the random network was highest. Yet, some network properties, such as the heteroscedasticity and autocorrelations of the migration simulation models differed greatly from the natural features observed in Swiss military conscript networks. Autocorrelations of district heights for instance, were much higher in the migration models. Conclusion: This study confirmed that secular height trends can be modeled by preferred migration of tall individuals into network hubs. However, basic network properties of the migration simulation models differed greatly from the natural features observed in Swiss military conscripts. Similar network-based data from other countries should be explored to better investigate height trends with Monte Carlo migration approach.
Zwischen 1990 und 1994 wurden rund 1000 Liegenschaften, die in der ehemaligen DDR von der Sowjetarmee und der NVA für militärische Übungen genutzt wurden, an Bund und Länder übergeben. Die größten Truppenübungsplätze liegen in Brandenburg und sind heute teilweise in Großschutzgebiete integriert, andere Plätze werden von der Bundeswehr weiterhin aktiv genutzt. Aufgrund des militärischen Betriebs sind die Böden dieser Truppenübungsplätze oft durch Blindgänger, Munitionsreste, Treibstoff- und Schmierölreste bis hin zu chemischen Kampfstoffen belastet. Allerdings existieren auf fast allen Liegenschaften neben diesen durch Munition und militärische Übungen belasteten Bereichen auch naturschutzfachlich wertvolle Flächen; gerade in den Offenlandbereichen kann dies durchaus mit einer Belastung durch Kampfmittel einhergehen. Charakteristisch für diese offenen Flächen, zu denen u.a. Zwergstrauchheiden, Trockenrasen, wüstenähnliche Sandflächen und andere nährstoffarme baumlose Lebensräume gehören, sind Großflächigkeit, Abgeschiedenheit sowie ihre besondere Nutzung und Bewirtschaftung, d.h. die Abwesenheit von land- und forstwirtschaftlichem Betrieb sowie von Siedlungsflächen. Diese Charakteristik war die Grundlage für die Entwicklung einer speziell angepassten Flora und Fauna. Nach Beendigung des Militärbetriebs setzte dann in weiten Teilen eine großflächige Sukzession – die allmähliche Veränderung der Zusammensetzung von Pflanzen- und Tiergesellschaften – ein, die diese offenen Bereiche teilweise bereits in Wald verwandelte und somit verschwinden ließ. Dies wiederum führte zum Verlust der an diese Offenlandflächen gebundenen Tier- und Pflanzenarten. Zur Erhaltung, Gestaltung und Entwicklung dieser offenen Flächen wurden daher von einer interdisziplinären Gruppe von Naturwissenschaftlern verschiedene Methoden und Konzepte auf ihre jeweilige Wirksamkeit untersucht. So konnten schließlich die für die jeweiligen Standortbedingungen geeigneten Maßnahmen eingeleitet werden. Voraussetzung für die Einleitung der Maßnahmen sind zum einen Kenntnisse zu diesen jeweiligen Standortbedingungen, d.h. zum Ist-Zustand, sowie zur Entwicklung der Flächen, d.h. zur Dynamik. So kann eine Abschätzung über die zukünftige Flächenentwicklung getroffen werden, damit ein effizienter Maßnahmeneinsatz stattfinden kann. Geoinformationssysteme (GIS) spielen dabei eine entscheidende Rolle zur digitalen Dokumentation der Biotop- und Nutzungstypen, da sie die Möglichkeit bieten, raum- und zeitbezogene Geometrie- und Sachdaten in großen Mengen zu verarbeiten. Daher wurde ein fachspezifisches GIS für Truppenübungsplätze entwickelt und implementiert. Die Aufgaben umfassten die Konzeption der Datenbank und des Objektmodells sowie fachspezifischer Modellierungs-, Analyse- und Präsentationsfunktionen. Für die Integration von Fachdaten in die GIS-Datenbank wurde zudem ein Metadatenkatalog entwickelt, der in Form eines zusätzlichen GIS-Tools verfügbar ist. Die Basisdaten für das GIS wurden aus Fernerkundungsdaten, topographischen Karten sowie Geländekartierungen gewonnen. Als Instrument für die Abschätzung der zukünftigen Entwicklung wurde das Simulationstool AST4D entwickelt, in dem sowohl die Nutzung der (Raster-)Daten des GIS als Ausgangsdaten für die Simulationen als auch die Nutzung der Simulationsergebnisse im GIS möglich ist. Zudem können die Daten in AST4D raumbezogen visualisiert werden. Das mathematische Konstrukt für das Tool war ein so genannter Zellulärer Automat, mit dem die Flächenentwicklung unter verschiedenen Voraussetzungen simuliert werden kann. So war die Bildung verschiedener Szenarien möglich, d.h. die Simulation der Flächenentwicklung mit verschiedenen (bekannten) Eingangsparametern und den daraus resultierenden unterschiedlichen (unbekannten) Endzuständen. Vor der Durchführung einer der drei in AST4D möglichen Simulationsstufen können angepasst an das jeweilige Untersuchungsgebiet benutzerspezifische Festlegungen getroffen werden.
Background: Recent research reported height biased migration of taller individuals and a Monte Carlo simulation showed that such preferential migration of taller individuals into network hubs can induce a secular trend of height. In the simulation model taller agents in the hubs raise the overall height of all individuals in the network by a community effect. However, it could be seen that the actual network structure influences the strength of this effect. In this paper the background and the influence of the network structure on the strength of the secular trend by migration is investigated. Material and methods: Three principal network types are analyzed: networks derived from street connections in Switzerland, more regular fishing net like networks and randomly generated ones. Our networks have between 10 and 152 nodes and between 20 and 307 edges connecting the nodes. Depending on the network size between 5.000 and 90.000 agents with an average height of 170 cm (SD 6.5 cm) are initially released into the network. In each iteration new agents are regenerated based on the actual average body height of the previous iteration and, to a certain proportion, corrected by body heights in the neighboring nodes. After generating new agents, a certain number of them migrated into neighbor nodes, the model let preferentially taller agents migrate into network hubs. Migration is balanced by back migration of the same number of agents from nodes with high centrality measures to less connected nodes. The latter is random as well, but not biased by the agents height. Furthermore the distribution of agents per node and their correlation to the centrality of the nodes is varied in a systematic manner. After 100 iterations, the secular trend, i.e. the gain in body height for the different networks, is investigated in relation to the network properties. Results: We observe an increase of average agent body height after 100 iterations if height biased migration is enabled. The increase rate depends on the height of the neighboring factor, the population distribution, the relationship between population in the nodes and their centrality as well as on the network topology. Networks with uniform like distributions of the agents in the nodes, uncorrelated associations between node centrality and agent number per node, as well as very heterogeneous networks with very different node centralities lead to biggest gains in average body height. Conclusion: Our simulations show, that height biased migration into network hubs can possibly contribute to the secular trend of height increase in the human population. The strength of this "tall by migration" event depends on the actual properties of the underlying network. There is a possible significance of this mechanism for social networks, when hubs are represented by individuals and edges as their personal relationships. However, the required high number of iterations to achieve significant effects in more natural network structures in our models requires further studies to test the relevance and real effect sizes in real world scenarios.
Mechanical and/or chemical removal of material from the subsurface may generate large subsurface cavities, the destabilisation of which can lead to ground collapse and the formation of sinkholes. Numerical simulation of the interaction of cavity growth, host material deformation and overburden collapse is desirable to better understand the sinkhole hazard but is a challenging task due to the involved high strains and material discontinuities. Here, we present 2-D distinct element method numerical simulations of cavity growth and sinkhole development. Firstly, we simulate cavity formation by quasi-static, stepwise removal of material in a single growing zone of an arbitrary geometry and depth. We benchmark this approach against analytical and boundary element method models of a deep void space in a linear elastic material. Secondly, we explore the effects of properties of different uniform materials on cavity stability and sinkhole development. We perform simulated biaxial tests to calibrate macroscopic geotechnical parameters of three model materials representative of those in which sinkholes develop at the Dead Sea shoreline: mud, alluvium and salt. We show that weak materials do not support large cavities, leading to gradual sagging or suffusion-style subsidence. Strong materials support quasi-stable to stable cavities, the overburdens of which may fail suddenly in a caprock or bedrock collapse style. Thirdly, we examine the consequences of layered arrangements of weak and strong materials. We find that these are more susceptible to sinkhole collapse than uniform materials not only due to a lower integrated strength of the overburden but also due to an inhibition of stabilising stress arching. Finally, we compare our model sinkhole geometries to observations at the Ghor Al-Haditha sinkhole site in Jordan. Sinkhole depth ∕ diameter ratios of 0.15 in mud, 0.37 in alluvium and 0.33 in salt are reproduced successfully in the calibrated model materials. The model results suggest that the observed distribution of sinkhole depth ∕ diameter values in each material type may partly reflect sinkhole growth trends.
Evaluating the performance of self-adaptive systems is challenging due to their interactions with often highly dynamic environments. In the specific case of self-healing systems, the performance evaluations of self-healing approaches and their parameter tuning rely on the considered characteristics of failure occurrences and the resulting interactions with the self-healing actions. In this paper, we first study the state-of-the-art for evaluating the performances of self-healing systems by means of a systematic literature review. We provide a classification of different input types for such systems and analyse the limitations of each input type. A main finding is that the employed inputs are often not sophisticated regarding the considered characteristics for failure occurrences. To further study the impact of the identified limitations, we present experiments demonstrating that wrong assumptions regarding the characteristics of the failure occurrences can result in large performance prediction errors, disadvantageous design-time decisions concerning the selection of alternative self-healing approaches, and disadvantageous deployment-time decisions concerning parameter tuning. Furthermore, the experiments indicate that employing multiple alternative input characteristics can help with reducing the risk of premature disadvantageous design-time decisions.
This dissertation consists of five self-contained essays, addressing different aspects of career choices, especially the choice of entrepreneurship, under risk and ambiguity. In Chapter 2, the first essay develops an occupational choice model with boundedly rational agents, who lack information, receive noisy feedback, and are restricted in their decisions by their personality, to analyze and explain puzzling empirical evidence on entrepreneurial decision processes. In the second essay, in Chapter 3, I contribute to the literature on entrepreneurial choice by constructing a general career choice model on the basis of the assumption that outcomes are partially ambiguous. The third essay, in Chapter 4, theoretically and empirically analyzes the impact of media on career choices, where information on entrepreneurship provided by the media is treated as an informational shock affecting prior beliefs. The fourth essay, presented in Chapter 5, contains an empirical analysis of the effects of cyclical macro variables (GDP and unemployment) on innovative start-ups in Germany. In the fifth, and last, essay in Chapter 6, we examine whether information on personality is useful for advice, using the example of career advice.
Diagenetic trends of synthetic reservoir sandstone properties assessed by digital rock physics
(2021)
Quantifying interactions and dependencies among geometric, hydraulic and mechanical properties of reservoir sandstones is of particular importance for the exploration and utilisation of the geological subsurface and can be assessed by synthetic sandstones comprising the microstructural complexity of natural rocks. In the present study, three highly resolved samples of the Fontainebleau, Berea and Bentheim sandstones are generated by means of a process-based approach, which combines the gravity-driven deposition of irregularly shaped grains and their diagenetic cementation by three different schemes. The resulting evolution in porosity, permeability and rock stiffness is examined and compared to the respective micro-computer tomographic (micro-CT) scans. The grain contact-preferential scheme implies a progressive clogging of small throats and consequently produces considerably less connected and stiffer samples than the two other schemes. By contrast, uniform quartz overgrowth continuously alters the pore space and leads to the lowest elastic properties. The proposed stress-dependent cementation scheme combines both approaches of contact-cement and quartz overgrowth, resulting in granulometric, hydraulic and elastic properties equivalent to those of the respective micro-CT scans, where bulk moduli slightly deviate by 0.8%, 4.9% and 2.5% for the Fontainebleau, Berea and Bentheim sandstone, respectively. The synthetic samples can be further altered to examine the impact of mineral dissolution or precipitation as well as fracturing on various petrophysical correlations, which is of particular relevance for numerous aspects of a sustainable subsurface utilisation.
Modern production infrastructures of globally operating companies usually consist of multiple distributed production sites. While the organization of individual sites consisting of Industry 4.0 components itself is demanding, new questions regarding the organization and allocation of resources emerge considering the total production network. In an attempt to face the challenge of efficient distribution and processing both within and across sites, we aim to provide a hybrid simulation approach as a first step towards optimization. Using hybrid simulation allows us to include real and simulated concepts and thereby benchmark different approaches with reasonable effort. A simulation concept is conceptualized and demonstrated qualitatively using a global multi-site example.
Volatile supply and sales markets, coupled with increasing product individualization and complex production processes, present significant challenges for manufacturing companies. These must navigate and adapt to ever-shifting external and internal factors while ensuring robustness against process variabilities and unforeseen events. This has a pronounced impact on production control, which serves as the operational intersection between production planning and the shop- floor resources, and necessitates the capability to manage intricate process interdependencies effectively. Considering the increasing dynamics and product diversification, alongside the need to maintain constant production performances, the implementation of innovative control strategies becomes crucial.
In recent years, the integration of Industry 4.0 technologies and machine learning methods has gained prominence in addressing emerging challenges in production applications. Within this context, this cumulative thesis analyzes deep learning based production systems based on five publications. Particular attention is paid to the applications of deep reinforcement learning, aiming to explore its potential in dynamic control contexts. Analysis reveal that deep reinforcement learning excels in various applications, especially in dynamic production control tasks. Its efficacy can be attributed to its interactive learning and real-time operational model. However, despite its evident utility, there are notable structural, organizational, and algorithmic gaps in the prevailing research. A predominant portion of deep reinforcement learning based approaches is limited to specific job shop scenarios and often overlooks the potential synergies in combined resources. Furthermore, it highlights the rare implementation of multi-agent systems and semi-heterarchical systems in practical settings. A notable gap remains in the integration of deep reinforcement learning into a hyper-heuristic.
To bridge these research gaps, this thesis introduces a deep reinforcement learning based hyper- heuristic for the control of modular production systems, developed in accordance with the design science research methodology. Implemented within a semi-heterarchical multi-agent framework, this approach achieves a threefold reduction in control and optimisation complexity while ensuring high scalability, adaptability, and robustness of the system. In comparative benchmarks, this control methodology outperforms rule-based heuristics, reducing throughput times and tardiness, and effectively incorporates customer and order-centric metrics. The control artifact facilitates a rapid scenario generation, motivating for further research efforts and bridging the gap to real-world applications. The overarching goal is to foster a synergy between theoretical insights and practical solutions, thereby enriching scientific discourse and addressing current industrial challenges.
A crucial question facing cognitive science concerns the nature of conceptual representations as well as the constraints on the interactions between them. One specific question we address in this paper is what makes cross-representational interplay possible? We offer two distinct theoretical scenarios: according to the first scenario, co-activated knowledge representations interact with the help of an interface established between them via congruent activation in a mediating third-party general cognitive mechanism, e.g., attention. According to the second scenario, co-activated knowledge representations interact due to an overlap between their features, for example when they share a magnitude component. First, we make a case for cross representational interplay based on grounded and situated theories of cognition. Second, we discuss interface-based interactions between distinct (i.e., non-overlapping) knowledge representations. Third, we discuss how co-activated representations may share their architecture via partial overlap. Finally, we outline constraints regarding the flexibility of these proposed mechanisms.
Coarse-grained molecular model for the Glycosylphosphatidylinositol anchor with and without protein
(2020)
Glycosylphosphatidylinositol (GPI) anchors are a unique class of complex glycolipids that anchor a great variety of proteins to the extracellular leaflet of plasma membranes of eukaryotic cells. These anchors can exist either with or without an attached protein called GPI-anchored protein (GPI-AP) both in vitro and in vivo. Although GPIs are known to participate in a broad range of cellular functions, it is to a large extent unknown how these are related to GPI structure and composition. Their conformational flexibility and microheterogeneity make it difficult to study them experimentally. Simplified atomistic models are amenable to all-atom computer simulations in small lipid bilayer patches but not suitable for studying their partitioning and trafficking in complex and heterogeneous membranes. Here, we present a coarse-grained model of the GPI anchor constructed with a modified version of the MARTINI force field that is suited for modeling carbohydrates, proteins, and lipids in an aqueous environment using MARTINI's polarizable water. The nonbonded interactions for sugars were reparametrized by calculating their partitioning free energies between polar and apolar phases. In addition, sugar-sugar interactions were optimized by adjusting the second virial coefficients of osmotic pressures for solutions of glucose, sucrose, and trehalose to match with experimental data. With respect to the conformational dynamics of GPI-anchored green fluorescent protein, the accessible time scales are now at least an order of magnitude larger than for the all-atom system. This is particularly important for fine-tuning the mutual interactions of lipids, carbohydrates, and amino acids when comparing to experimental results. We discuss the prospective use of the coarse-grained GPI model for studying protein-sorting and trafficking in membrane models.
Coarse-grained molecular model for the Glycosylphosphatidylinositol anchor with and without protein
(2020)
Glycosylphosphatidylinositol (GPI) anchors are a unique class of complex glycolipids that anchor a great variety of proteins to the extracellular leaflet of plasma membranes of eukaryotic cells. These anchors can exist either with or without an attached protein called GPI-anchored protein (GPI-AP) both in vitro and in vivo. Although GPIs are known to participate in a broad range of cellular functions, it is to a large extent unknown how these are related to GPI structure and composition. Their conformational flexibility and microheterogeneity make it difficult to study them experimentally. Simplified atomistic models are amenable to all-atom computer simulations in small lipid bilayer patches but not suitable for studying their partitioning and trafficking in complex and heterogeneous membranes. Here, we present a coarse-grained model of the GPI anchor constructed with a modified version of the MARTINI force field that is suited for modeling carbohydrates, proteins, and lipids in an aqueous environment using MARTINI's polarizable water. The nonbonded interactions for sugars were reparametrized by calculating their partitioning free energies between polar and apolar phases. In addition, sugar-sugar interactions were optimized by adjusting the second virial coefficients of osmotic pressures for solutions of glucose, sucrose, and trehalose to match with experimental data. With respect to the conformational dynamics of GPI-anchored green fluorescent protein, the accessible time scales are now at least an order of magnitude larger than for the all-atom system. This is particularly important for fine-tuning the mutual interactions of lipids, carbohydrates, and amino acids when comparing to experimental results. We discuss the prospective use of the coarse-grained GPI model for studying protein-sorting and trafficking in membrane models.
One of the rules-of-thumb of colloid and surface physics is that most surfaces are charged when in contact with a solvent, usually water. This is the case, for instance, in charge-stabilized colloidal suspensions, where the surface of the colloidal particles are charged (usually with a charge of hundreds to thousands of e, the elementary charge), monolayers of ionic surfactants sitting at an air-water interface (where the water-loving head groups become charged by releasing counterions), or bilayers containing charged phospholipids (as cell membranes). In this work, we look at some model-systems that, although being a simplified version of reality, are expected to capture some of the physical properties of real charged systems (colloids and electrolytes). We initially study the simple double layer, composed by a charged wall in the presence of its counterions. The charges at the wall are smeared out and the dielectric constant is the same everywhere. The Poisson-Boltzmann (PB) approach gives asymptotically exact counterion density profiles around charged objects in the weak-coupling limit of systems with low-valent counterions, surfaces with low charge density and high temperature (or small Bjerrum length). Using Monte Carlo simulations, we obtain the profiles around the charged wall and compare it with both Poisson-Boltzmann (in the low coupling limit) and the novel strong coupling (SC) theory in the opposite limit of high couplings. In the latter limit, the simulations show that the SC leads in fact to asymptotically correct density profiles. We also compare the Monte Carlo data with previously calculated corrections to the Poisson-Boltzmann theory. We also discuss in detail the methods used to perform the computer simulations. After studying the simple double layer in detail, we introduce a dielectric jump at the charged wall and investigate its effect on the counterion density distribution. As we will show, the Poisson-Boltzmann description of the double layer remains a good approximation at low coupling values, while the strong coupling theory is shown to lead to the correct density profiles close to the wall (and at all couplings). For very large couplings, only systems where the difference between the dielectric constants of the wall and of the solvent is small are shown to be well described by SC. Another experimentally relevant modification to the simple double layer is to make the charges at the plane discrete. The counterions are still assumed to be point-like, but we constraint the distance of approach between ions in the plane and counterions to a minimum distance D. The ratio between D and the distance between neighboring ions in the plane is, as we will see, one of the important quantities in determining the influence of the discrete nature of the charges at the wall over the density profiles. Another parameter that plays an important role, as in the previous case, is the coupling as we will demonstrate, systems with higher coupling are more subject to discretization effects than systems with low coupling parameter. After studying the isolated double layer, we look at the interaction between two double layers. The system is composed by two equally charged walls at distance d, with the counterions confined between them. The charge at the walls is smeared out and the dielectric constant is the same everywhere. Using Monte-Carlo simulations we obtain the inter-plate pressure in the global parameter space, and the pressure is shown to be negative (attraction) at certain conditions. The simulations also show that the equilibrium plate separation (where the pressure changes from attractive to repulsive) exhibits a novel unbinding transition. We compare the Monte Carlo results with the strong-coupling theory, which is shown to describe well the bound states of systems with moderate and high couplings. The regime where the two walls are very close to each other is also shown to be well described by the SC theory. Finally, Using a field-theoretic approach, we derive the exact low-density ("virial") expansion of a binary mixture of positively and negatively charged hard spheres (two-component hard-core plasma, TCPHC). The free energy obtained is valid for systems where the diameters d_+ and d_- and the charge valences q_+ and q_- of positive and negative ions are unconstrained, i.e., the same expression can be used to treat dilute salt solutions (where typically d_+ ~ d_- and q_+ ~ q_-) as well as colloidal suspensions (where the difference in size and valence between macroions and counterions can be very large). We also discuss some applications of our results.
Microswimmers, i.e. swimmers of micron size experiencing low Reynolds numbers, have received a great deal of attention in the last years, since many applications are envisioned in medicine and bioremediation. A promising field is the one of magnetic swimmers, since magnetism is biocom-patible and could be used to direct or actuate the swimmers. This thesis studies two examples of magnetic microswimmers from a physics point of view.
The first system to be studied are magnetic cells, which can be magnetic biohybrids (a swimming cell coupled with a magnetic synthetic component) or magnetotactic bacteria (naturally occurring bacteria that produce an intracellular chain of magnetic crystals). A magnetic cell can passively interact with external magnetic fields, which can be used for direction. The aim of the thesis is to understand how magnetic cells couple this magnetic interaction to their swimming strategies, mainly how they combine it with chemotaxis (the ability to sense external gradient of chemical species and to bias their walk on these gradients). In particular, one open question addresses the advantage given by these magnetic interactions for the magnetotactic bacteria in a natural environment, such as porous sediments. In the thesis, a modified Active Brownian Particle model is used to perform simulations and to reproduce experimental data for different systems such as bacteria swimming in the bulk, in a capillary or in confined geometries. I will show that magnetic fields speed up chemotaxis under special conditions, depending on parameters such as their swimming strategy (run-and-tumble or run-and-reverse), aerotactic strategy (axial or polar), and magnetic fields (intensities and orientations), but it can also hinder bacterial chemotaxis depending on the system.
The second example of magnetic microswimmer are rigid magnetic propellers such as helices or random-shaped propellers. These propellers are actuated and directed by an external rotating magnetic field. One open question is how shape and magnetic properties influence the propeller behavior; the goal of this research field is to design the best propeller for a given situation. The aim of the thesis is to propose a simulation method to reproduce the behavior of experimentally-realized propellers and to determine their magnetic properties. The hydrodynamic simulations are based on the use of the mobility matrix. As main result, I propose a method to match the experimental data, while showing that not only shape but also the magnetic properties influence the propellers swimming characteristics.
The correctness of model transformations is a crucial element for model-driven engineering of high quality software. In particular, behavior preservation is the most important correctness property avoiding the introduction of semantic errors during the model-driven engineering process. Behavior preservation verification techniques either show that specific properties are preserved, or more generally and complex, they show some kind of behavioral equivalence or refinement between source and target model of the transformation. Both kinds of behavior preservation verification goals have been presented with automatic tool support for the instance level, i.e. for a given source and target model specified by the model transformation. However, up until now there is no automatic verification approach available at the transformation level, i.e. for all source and target models specified by the model transformation.
In this report, we extend our results presented in [27] and outline a new sophisticated approach for the automatic verification of behavior preservation captured by bisimulation resp. simulation for model transformations specified by triple graph grammars and semantic definitions given by graph transformation rules. In particular, we show that the behavior preservation problem can be reduced to invariant checking for graph transformation and that the resulting checking problem can be addressed by our own invariant checker even for a complex example where a sequence chart is transformed into communicating automata. We further discuss today's limitations of invariant checking for graph transformation and motivate further lines of future work in this direction.
Pattern-process analysis is one of the main threads in landscape ecological research. It aims at understanding the complex relationships between ecological processes and landscape patterns, identifying the underlying mechanisms and deriving valid predictions for scenarios of landscape change and its consequences. Today, various studies cope with these tasks through so called "landscape modelling" approaches. They integrate different aspects of heterogeneous and dynamic landscapes and model different driving forces, often using both statistical and process-oriented techniques. We identify two main approaches to deal with the analysis of pattern-process interactions: the first starts with pattern detection, pattern description and pattern analysis, the second with process description, simulation and pattern generation. Focussing on the interplay between these two approaches, landscape analysis and landscape modelling will improve our understanding of pattern-process interactions. The comparison of simulated and observed pattern is a prerequisite for both approaches. Therefore, we identify a set of quantitative, robust, and reproducible methods for the analysis of spatiotemporal patterns that is a starting point for a standard toolbox for ecologists as major future challenge and suggest necessary further methodological developments. (c) 2006 Elsevier B.V. All rights reserved.
Air pollution is the number one environmental cause of premature deaths in Europe. Despite extensive regulations, air pollution remains a challenge, especially in urban areas. For studying summertime air quality in the Berlin-Brandenburg region of Germany, the Weather Research and Forecasting Model with Chemistry (WRF-Chem) is set up and evaluated against meteorological and air quality observations from monitoring stations as well as from a field campaign conducted in 2014. The objective is to assess which resolution and level of detail in the input data is needed for simulating urban background air pollutant concentrations and their spatial distribution in the Berlin-Brandenburg area. The model setup includes three nested domains with horizontal resolutions of 15, 3 and 1 km and anthropogenic emissions from the TNO-MACC III inventory. We use RADM2 chemistry and the MADE/SORGAM aerosol scheme. Three sensitivity simulations are conducted updating input parameters to the single-layer urban canopy model based on structural data for Berlin, specifying land use classes on a sub-grid scale (mosaic option) and downscaling the original emissions to a resolution of ca. 1 km x 1 km for Berlin based on proxy data including traffic density and population density. The results show that the model simulates meteorology well, though urban 2m temperature and urban wind speeds are biased high and nighttime mixing layer height is biased low in the base run with the settings described above. We show that the simulation of urban meteorology can be improved when specifying the input parameters to the urban model, and to a lesser extent when using the mosaic option. On average, ozone is simulated reasonably well, but maximum daily 8 h mean concentrations are underestimated, which is consistent with the results from previous modelling studies using the RADM2 chemical mechanism. Particulate matter is underestimated, which is partly due to an underestimation of secondary organic aerosols. NOx (NO + NO2) concentrations are simulated reasonably well on average, but nighttime concentrations are overestimated due to the model's underestimation of the mixing layer height, and urban daytime concentrations are underestimated. The daytime underestimation is improved when using downscaled, and thus locally higher emissions, suggesting that part of this bias is due to deficiencies in the emission input data and their resolution. The results further demonstrate that a horizontal resolution of 3 km improves the results and spatial representativeness of the model compared to a horizontal resolution of 15 km. With the input data (land use classes, emissions) at the level of detail of the base run of this study, we find that a horizontal resolution of 1 km does not improve the results compared to a resolution of 3 km. However, our results suggest that a 1 km horizontal model resolution could enable a detailed simulation of local pollution patterns in the Berlin-Brandenburg region if the urban land use classes, together with the respective input parameters to the urban canopy model, are specified with a higher level of detail and if urban emissions of higher spatial resolution are used.
Advanced mechatronic systems have to integrate existing technologies from mechanical, electrical and software engineering. They must be able to adapt their structure and behavior at runtime by reconfiguration to react flexibly to changes in the environment. Therefore, a tight integration of structural and behavioral models of the different domains is required. This integration results in complex reconfigurable hybrid systems, the execution logic of which cannot be addressed directly with existing standard modeling, simulation, and code-generation techniques. We present in this paper how our component-based approach for reconfigurable mechatronic systems, M ECHATRONIC UML, efficiently handles the complex interplay of discrete behavior and continuous behavior in a modular manner. In addition, its extension to even more flexible reconfiguration cases is presented.
Advanced mechatronic systems have to integrate existing technologies from mechanical, electrical and software engineering. They must be able to adapt their structure and behavior at runtime by reconfiguration to react flexibly to changes in the environment. Therefore, a tight integration of structural and behavioral models of the different domains is required. This integration results in complex reconfigurable hybrid systems, the execution logic of which cannot be addressed directly with existing standard modeling, simulation, and code-generation techniques. We present in this paper how our component-based approach for reconfigurable mechatronic systems, MECHATRONIC UML, efficiently handles the complex interplay of discrete behavior and continuous behavior in a modular manner. In addition, its extension to even more flexible reconfiguration cases is presented.
Situated in an active tectonic region, Santiago de Chile, the country´s capital with more than six million inhabitants, faces tremendous earthquake hazard. Macroseismic data for the 1985 Valparaiso and the 2010 Maule events show large variations in the distribution of damage to buildings within short distances indicating strong influence of local sediments and the shape of the sediment-bedrock interface on ground motion. Therefore, a temporary seismic network was installed in the urban area for recording earthquake activity, and a study was carried out aiming to estimate site amplification derived from earthquake data and ambient noise. The analysis of earthquake data shows significant dependence on the local geological structure with regards to amplitude and duration. Moreover, the analysis of noise spectral ratios shows that they can provide a lower bound in amplitude for site amplification and, since no variability in terms of time and amplitude is observed, that it is possible to map the fundamental resonance frequency of the soil for a 26 km x 12 km area in the northern part of the Santiago de Chile basin. By inverting the noise spectral rations, local shear wave velocity profiles could be derived under the constraint of the thickness of the sedimentary cover which had previously been determined by gravimetric measurements. The resulting 3D model was derived by interpolation between the single shear wave velocity profiles and shows locally good agreement with the few existing velocity profile data, but allows the entire area, as well as deeper parts of the basin, to be represented in greater detail. The wealth of available data allowed further to check if any correlation between the shear wave velocity in the uppermost 30 m (vs30) and the slope of topography, a new technique recently proposed by Wald and Allen (2007), exists on a local scale. While one lithology might provide a greater scatter in the velocity values for the investigated area, almost no correlation between topographic gradient and calculated vs30 exists, whereas a better link is found between vs30 and the local geology. When comparing the vs30 distribution with the MSK intensities for the 1985 Valparaiso event it becomes clear that high intensities are found where the expected vs30 values are low and over a thick sedimentary cover. Although this evidence cannot be generalized for all possible earthquakes, it indicates the influence of site effects modifying the ground motion when earthquakes occur well outside of the Santiago basin. Using the attained knowledge on the basin characteristics, simulations of strong ground motion within the Santiago Metropolitan area were carried out by means of the spectral element technique. The simulation of a regional event, which has also been recorded by a dense network installed in the city of Santiago for recording aftershock activity following the 27 February 2010 Maule earthquake, shows that the model is capable to realistically calculate ground motion in terms of amplitude, duration, and frequency and, moreover, that the surface topography and the shape of the sediment bedrock interface strongly modify ground motion in the Santiago basin. An examination on the dependency of ground motion on the hypocenter location for a hypothetical event occurring along the active San Ramón fault, which is crossing the eastern outskirts of the city, shows that the unfavorable interaction between fault rupture, radiation mechanism, and complex geological conditions in the near-field may give rise to large values of peak ground velocity and therefore considerably increase the level of seismic risk for Santiago de Chile.