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The growing computational power enables the establishment of the Population Balance Equation (PBE)
to model the steady state and dynamic behavior of multiphase flow unit operations. Accordingly, the twophase
flow
behavior inside liquid-liquid extraction equipment is characterized by different factors. These
factors include: interactions among droplets (breakage and coalescence), different time scales due to the
size distribution of the dispersed phase, and micro time scales of the interphase diffusional mass transfer
process. As a result of this, the general PBE has no well known analytical solution and therefore robust
numerical solution methods with low computational cost are highly admired.
In this work, the Sectional Quadrature Method of Moments (SQMOM) (Attarakih, M. M., Drumm, C.,
Bart, H.-J. (2009). Solution of the population balance equation using the Sectional Quadrature Method of
Moments (SQMOM). Chem. Eng. Sci. 64, 742-752) is extended to take into account the continuous flow
systems in spatial domain. In this regard, the SQMOM is extended to solve the spatially distributed
nonhomogeneous bivariate PBE to model the hydrodynamics and physical/reactive mass transfer
behavior of liquid-liquid extraction equipment. Based on the extended SQMOM, two different steady
state and dynamic simulation algorithms for hydrodynamics and mass transfer behavior of liquid-liquid
extraction equipment are developed and efficiently implemented. At the steady state modeling level, a
Spatially-Mixed SQMOM (SM-SQMOM) algorithm is developed and successfully implemented in a onedimensional
physical spatial domain. The integral spatial numerical flux is closed using the mean mass
droplet diameter based on the One Primary and One Secondary Particle Method (OPOSPM which is the
simplest case of the SQMOM). On the other hand the hydrodynamics integral source terms are closed
using the analytical Two-Equal Weight Quadrature (TEqWQ). To avoid the numerical solution of the
droplet rise velocity, an analytical solution based on the algebraic velocity model is derived for the
particular case of unit velocity exponent appearing in the droplet swarm model. In addition to this, the
source term due to mass transport is closed using OPOSPM. The resulting system of ordinary differential
equations with respect to space is solved using the MATLAB adaptive Runge–Kutta method (ODE45). At
the dynamic modeling level, the SQMOM is extended to a one-dimensional physical spatial domain and
resolved using the finite volume method. To close the mathematical model, the required quadrature nodes
and weights are calculated using the analytical solution based on the Two Unequal Weights Quadrature
(TUEWQ) formula. By applying the finite volume method to the spatial domain, a semi-discreet ordinary
differential equation system is obtained and solved. Both steady state and dynamic algorithms are
extensively validated at analytical, numerical, and experimental levels. At the numerical level, the
predictions of both algorithms are validated using the extended fixed pivot technique as implemented in
PPBLab software (Attarakih, M., Alzyod, S., Abu-Khader, M., Bart, H.-J. (2012). PPBLAB: A new
multivariate population balance environment for particulate system modeling and simulation. Procedia
Eng. 42, pp. 144-562). At the experimental validation level, the extended SQMOM is successfully used
to model the steady state hydrodynamics and physical and reactive mass transfer behavior of agitated
liquid-liquid extraction columns under different operating conditions. In this regard, both models are
found efficient and able to follow liquid extraction column behavior during column scale-up, where three
column diameters were investigated (DN32, DN80, and DN150). To shed more light on the local
interactions among the contacted phases, a reduced coupled PBE and CFD framework is used to model
the hydrodynamic behavior of pulsed sieve plate columns. In this regard, OPOSPM is utilized and
implemented in FLUENT 18.2 commercial software as a special case of the SQMOM. The dropletdroplet
interactions
(breakage
and
coalescence)
are
taken
into
account
using
OPOSPM,
while
the
required
information
about
the
velocity
field
and
energy
dissipation
is
calculated
by
the
CFD
model.
In
addition
to
this,
the proposed coupled OPOSPM-CFD framework is extended to include the mass transfer. The
proposed framework is numerically tested and the results are compared with the published experimental
data. The required breakage and coalescence parameters to perform the 2D-CFD simulation are estimated
using PPBLab software, where a 1D-CFD simulation using a multi-sectional gird is performed. A very
good agreement is obtained at the experimental and the numerical validation levels.
The present thesis describes the development and the evaluation of a design procedure of inducer with arbitrary meridional and blade shape. This special type of pump impeller, which is usually mounted upstream of a main pump impeller, is employed in many applications demanding the realization of low NPSH values. An inducer basically increases suction performance by producing mostly a small pressure rise while allowing for a greater degree of cavitation, that is the formation of vapor bubbles, at its inlet than a conventional pump impeller. This is achieved by specially designed blade channels promoting the collapse of the produced vapor bubbles.
The main focus of the present thesis is the description of the design method, which enables the generation of the three-dimensional blade geometry. The method is based on a parametric representation of the geometry considering the particular requirements for inducers and the publicly available design practice. Within this approach the sequence of design steps is adapted from the classical design process of mixed flow and radial impellers. As a consequence leading and trailing edge blade angles are determined based on simplifications and certain empirical assumptions for multiple blade sections and are used to design the blade camber curves. Along the camber curves the blade profile is generated following a thickness distribution that has to be prescribed. A special feature of the newly developed method is that arbitrary shaped, asymmetric thickness distributions can be realized.
Due to the detailed description of the design and calculation steps a fully comprehensible procedure is outlined, which covers the development of inducer bladings from an initial set of duty parameters to the final three-dimensional blade geometry.
The components involved in the design procedure are tested by designing two exemplary inducers and they are assessed by comparison with numerical simulations. Functioning of these inducers in the real application is finally demonstrated with water tests.
The main result of this dissertation is a design software for inducers allowing for the design of three-dimensional, asymmetrically profiled bladings. The developed software is free of commercial third-party libraries. As a consequence a program is available that can be modified and extended as desired. As potential future development goals inducers with splitter and tandem blades as well as an integrated design of inducer and impeller are proposed.
Medical cyber-physical systems (MCPS) emerged as an evolution of the relations between connected health systems, healthcare providers, and modern medical devices. Such systems combine independent medical devices at runtime in order to render new patient monitoring/control functionalities, such as physiological closed loops for controlling drug infusion or optimization of alarms. Despite the advances regarding alarm precision, healthcare providers still struggle with alarm flooding caused by the limited risk assessment models. Furthermore, these limitations also impose severe barriers on the adoption of automated supervision through autonomous actions, such as safety interlocks for avoiding overdosage. The literature has focused on the verification of safety parameters to assure the safety of treatment at runtime and thus optimize alarms and automated actions. Such solutions have relied on the definition of actuation ranges based on thresholds for a few monitored parameters. Given the very dynamic nature of the relevant context conditions (e.g., the patient’s condition, treatment details, system configurations, etc.), fixed thresholds are a weak means for assessing the current risk. This thesis presents an approach for enabling dynamic risk assessment for cooperative MCPS based on an adaptive Bayesian Networks (BN) model. The main aim of the approach is to support continuous runtime risk assessment of the current situation based on relevant context and system information. The presented approach comprises (i) a dynamic risk analysis constituent, which corresponds to the elicitation of relevant risk parameters, risk metric building, and risk metric management; and (ii) a runtime risk classification constituent, which aims to analyze the current situation risk, establish risk classes, and identify and deploy mitigation measures. The proposed approach was evaluated and its feasibility proved by means of simulated experiments guided by an international team of medical experts with a focus on the requirements of efficacy, efficiency, and availability of patient treatment.
This work deals with the simulation of the micro-cutting process of titanium. For this
purpose, a suitable crystal-plastic material model is developed and efficient implemen-
tations are investigated to simulate the micro-cutting process. Several challenges arise
for the material model. On the one hand, the low symmetry hexagonal close-packed
crystal structure of titanium has to be considered. On the other hand, large defor-
mations and strains occur during the machining process. Another important part is
the algorithm for the determination of the active slip systems, which has a significant
influence on the stability of the simulation. In order to obtain a robust implemen-
tation, different aspects, such as the algorithm for the determination of the active
slip systems, the method for mesh separation between chip and workpiece as well as
the hardening process are investigated, and different approaches are compared. The
developed crystal-plastic material model and the selected implementations are first
validated and investigated using illustrative examples. The presented simulations of
the micro-cutting process show the influence of different machining parameters on the
process. Finally, the influence of a real microstructure on the plastic deformation and
the cutting force during the process is shown.
A prime motivation for using XML to directly represent pieces of information is the ability of supporting ad-hoc or 'schema-later' settings. In such scenarios, modeling data under loose data constraints is essential. Of course, the flexibility of XML comes at a price: the absence of a rigid, regular, and homogeneous structure makes many aspects of data management more challenging. Such malleable data formats can also lead to severe information quality problems, because the risk of storing inconsistent and incorrect data is greatly increased. A prominent example of such problems is the appearance of the so-called fuzzy duplicates, i.e., multiple and non-identical representations of a real-world entity. Similarity joins correlating XML document fragments that are similar can be used as core operators to support the identification of fuzzy duplicates. However, similarity assessment is especially difficult on XML datasets because structure, besides textual information, may exhibit variations in document fragments representing the same real-world entity. Moreover, similarity computation is substantially more expensive for tree-structured objects and, thus, is a serious performance concern. This thesis describes the design and implementation of an effective, flexible, and high-performance XML-based similarity join framework. As main contributions, we present novel structure-conscious similarity functions for XML trees - either considering XML structure in isolation or combined with textual information -, mechanisms to support the selection of relevant information from XML trees and organization of this information into a suitable format for similarity calculation, and efficient algorithms for large-scale identification of similar, set-represented objects. Finally, we validate the applicability of our techniques by integrating our framework into a native XML database management system; in this context we address several issues around the integration of similarity operations into traditional database architectures.
This thesis presents a novel, generic framework for information segmentation in document images.
A document image contains different types of information, for instance, text (machine printed/handwritten), graphics, signatures, and stamps.
It is necessary to segment information in documents so that to process such segmented information only when required in automatic document processing workflows.
The main contribution of this thesis is the conceptualization and implementation of an information segmentation framework that is based on part-based features.
The generic nature of the presented framework makes it applicable to a variety of documents (technical drawings, magazines, administrative, scientific, and academic documents) digitized using different methods (scanners, RGB cameras, and hyper-spectral imaging (HSI) devices).
A highlight of the presented framework is that it does not require large training sets, rather a few training samples (for instance, four pages) lead to high performance, i.e., better than previously existing methods.
In addition, the presented framework is simple and can be adapted quickly to new problem domains.
This thesis is divided into three major parts on the basis of document digitization method (scanned, hyper-spectral imaging, and camera captured) used.
In the area of scanned document images, three specific contributions have been realized.
The first of them is in the domain of signature segmentation in administrative documents.
In some workflows, it is very important to check the document authenticity before processing the actual content.
This can be done based on the available seal of authenticity, e.g., signatures.
However, signature verification systems expect pre-segmented signature image, while signatures are usually a part of document.
To use signature verification systems on document images, it is necessary to first segment signatures in documents.
This thesis shows that the presented framework can be used to segment signatures in administrative documents.
The system based on the presented framework is tested on a publicly available dataset where it outperforms the state-of-the-art methods and successfully segmented all signatures, while less than half of the found signatures are false positives.
This shows that it can be applied for practical use.
The second contribution in the area of scanned document images is segmentation of stamps in administrative documents.
A stamp also serves as a seal for documents authenticity.
However, the location of stamp on the document can be more arbitrary than a signature depending on the person sealing the document.
This thesis shows that a system based on our generic framework is able to extract stamps of any arbitrary shape and color.
The evaluation of the presented system on a publicly available dataset shows that it is also able to segment black stamps (that were not addressed in the past) with a recall and precision of 83% and 73%, respectively.
%Furthermore, to segment colored stamps, this thesis presents a novel feature set which is based on intensity gradient, is able to extract unseen, colored, arbitrary shaped, textual as well as graphical stamps, and outperforms the state-of-the-art methods.
The third contribution in the scanned document images is in the domain of information segmentation in technical drawings (architectural floorplans, maps, circuit diagrams, etc.) containing usually a large amount of graphics and comparatively less textual components. Further, as in technical drawings, text is overlapping with graphics.
Thus, automatic analysis of technical drawings uses text/graphics segmentation as a pre-processing step.
This thesis presents a method based on our generic information segmentation framework that is able to detect the text, which is touching graphical components in architectural floorplans and maps.
Evaluation of the method on a publicly available dataset of architectural floorplans shows that it is able to extract almost all touching text components with precision and recall of 71% and 95%, respectively.
This means that almost all of the touching text components are successfully extracted.
In the area of hyper-spectral document images, two contributions have been realized.
Unlike normal three channels RGB images, hyper-spectral images usually have multiple channels that range from ultraviolet to infrared regions including the visible region.
First, this thesis presents a novel automatic method for signature segmentation from hyper-spectral document images (240 spectral bands between 400 - 900 nm).
The presented method is based on a part-based key point detection technique, which does not use any structural information, but relies only on the spectral response of the document regardless of ink color and intensity.
The presented method is capable of segmenting (overlapping and non-overlapping) signatures from varying backgrounds like, printed text, tables, stamps, logos, etc.
Importantly, the presented method can extract signature pixels and not just the bounding boxes.
This is substantial when signatures are overlapping with text and/or other objects in image. Second, this thesis presents a new dataset comprising of 300 documents scanned using a high-resolution hyper-spectral scanner. Evaluation of the presented signature segmentation method on this hyper-spectral dataset shows that it is able to extract signature pixels with the precision and recall of 100% and 79%, respectively.
Further contributions have been made in the area of camera captured document images. A major problem in the development of Optical Character Recognition (OCR) systems for camera captured document images is the lack of labeled camera captured document images datasets. In the first place, this thesis presents a novel, generic, method for automatic ground truth generation/labeling of document images. The presented method builds large-scale (i.e., millions of images) datasets of labeled camera captured / scanned documents without any human intervention. The method is generic and can be used for automatic ground truth generation of (scanned and/or camera captured) documents in any language, e.g., English, Russian, Arabic, Urdu. The evaluation of the presented method, on two different datasets in English and Russian, shows that 99.98% of the images are correctly labeled in every case.
Another important contribution in the area of camera captured document images is the compilation of a large dataset comprising 1 million word images (10 million character images), captured in a real camera-based acquisition environment, along with the word and character level ground truth. The dataset can be used for training as well as testing of character recognition systems for camera-captured documents. Various benchmark tests are performed to analyze the behavior of different open source OCR systems on camera captured document images. Evaluation results show that the existing OCRs, which already get very high accuracies on scanned documents, fail on camera captured document images.
Using the presented camera-captured dataset, a novel character recognition system is developed which is based on a variant of recurrent neural networks, i.e., Long Short Term Memory (LSTM) that outperforms all of the existing OCR engines on camera captured document images with an accuracy of more than 95%.
Finally, this thesis provides details on various tasks that have been performed in the area closely related to information segmentation. This includes automatic analysis and sketch based retrieval of architectural floor plan images, a novel scheme for online signature verification, and a part-based approach for signature verification. With these contributions, it has been shown that part-based methods can be successfully applied to document image analysis.
For many years real-time task models have focused the timing constraints on execution windows defined by earliest start times and deadlines for feasibility.
However, the utility of some application may vary among scenarios which yield correct behavior, and maximizing this utility improves the resource utilization.
For example, target sensitive applications have a target point where execution results in maximized utility, and an execution window for feasibility.
Execution around this point and within the execution window is allowed, albeit at lower utility.
The intensity of the utility decay accounts for the importance of the application.
Examples of such applications include multimedia and control; multimedia application are very popular nowadays and control applications are present in every automated system.
In this thesis, we present a novel real-time task model which provides for easy abstractions to express the timing constraints of target sensitive RT applications: the gravitational task model.
This model uses a simple gravity pendulum (or bob pendulum) system as a visualization model for trade-offs among target sensitive RT applications.
We consider jobs as objects in a pendulum system, and the target points as the central point.
Then, the equilibrium state of the physical problem is equivalent to the best compromise among jobs with conflicting targets.
Analogies with well-known systems are helpful to fill in the gap between application requirements and theoretical abstractions used in task models.
For instance, the so-called nature algorithms use key elements of physical processes to form the basis of an optimization algorithm.
Examples include the knapsack problem, traveling salesman problem, ant colony optimization, and simulated annealing.
We also present a few scheduling algorithms designed for the gravitational task model which fulfill the requirements for on-line adaptivity.
The scheduling of target sensitive RT applications must account for timing constraints, and the trade-off among tasks with conflicting targets.
Our proposed scheduling algorithms use the equilibrium state concept to order the execution sequence of jobs, and compute the deviation of jobs from their target points for increased system utility.
The execution sequence of jobs in the schedule has a significant impact on the equilibrium of jobs, and dominates the complexity of the problem --- the optimum solution is NP-hard.
We show the efficacy of our approach through simulations results and 3 target sensitive RT applications enhanced with the gravitational task model.
This thesis is concerned with the modeling of the solid-solid phase transformation, such as the martensitic transformation. The allotropes austenite and martensite are important for industry applications. As a result of its ductility, austenite is desired in the bulk, as opposed to martensite, which desired in the near surface region. The phase field method is used to model the phase transformation by minimizing the free energy. It consists of a mechanical part, due to elastic strain and a chemical part, due to the martensitic transformation. The latter is temperature dependent. Therefore, a temperature dependent separation potential is presented here. To accommodate multiple orientation variants, a multivariant phase field model is employed. Using the Khachaturyan approach, the effective material parameters can be used to describe a constitutive model. This however, renders the nodal residual vector and elemental tangent matrix directly dependent on the phase, making a generalization complicated. An easier approach is the use of the Voigt/Taylor homogenization, in which the energy and their derivatives are interpolated creating an interface for material law of the individual phases.
Numerical Godeaux surfaces are minimal surfaces of general type with the smallest possible numerical invariants. It is known that the torsion group of a numerical Godeaux surface is cyclic of order \(m\leq 5\). A full classification has been given for the cases \(m=3,4,5\) by the work of Reid and Miyaoka. In each case, the corresponding moduli space is 8-dimensional and irreducible.
There exist explicit examples of numerical Godeaux surfaces for the orders \(m=1,2\), but a complete classification for these surfaces is still missing.
In this thesis we present a construction method for numerical Godeaux surfaces which is based on homological algebra and computer algebra and which arises from an experimental approach by Schreyer. The main idea is to consider the canonical ring \(R(X)\) of a numerical Godeaux surface \(X\) as a module over some graded polynomial ring \(S\). The ring \(S\) is chosen so that \(R(X)\) is finitely generated as an \(S\)-module and a Gorenstein \(S\)-algebra of codimension 3. We prove that the canonical ring of any numerical Godeaux surface, considered as an \(S\)-module, admits a minimal free resolution whose middle map is alternating. Moreover, we show that a partial converse of this statement is true under some additional conditions.
Afterwards we use these results to construct (canonical rings of) numerical Godeaux surfaces. Hereby, we restrict our study to surfaces whose bicanonical system has no fixed component but 4 distinct base points, in the following referred to as marked numerical Godeaux surfaces.
The particular interest of this thesis lies on marked numerical Godeaux surfaces whose torsion group is trivial. For these surfaces we study the fibration of genus 4 over \(\mathbb{P}^1\) induced by the bicanonical system. Catanese and Pignatelli showed that the general fibre is non-hyperelliptic and that the number \(\tilde{h}\) of hyperelliptic fibres is bounded by 3. The two explicit constructions of numerical Godeaux surfaces with a trivial torsion group due to Barlow and Craighero-Gattazzo, respectively, satisfy \(\tilde{h} = 2\).
With the method from this thesis, we construct an 8-dimensional family of numerical Godeaux surfaces with a trivial torsion group and whose general element satisfy \(\tilde{h}=0\).
Furthermore, we establish a criterion for the existence of hyperelliptic fibres in terms of a minimal free resolution of \(R(X)\). Using this criterion, we verify experimentally the
existence of a numerical Godeaux surface with \(\tilde{h}=1\).
Data is the new gold and serves as a key to answer the five W’s (Who, What, Where, When, Why) and How’s of any business. Companies are now mining data more than ever and one of the most important aspects while analyzing this data is to detect anomalous patterns to identify critical patterns and points. To tackle the vital aspects of timeseries analysis, this thesis presents a novel hybrid framework that stands on three pillars: Anomaly Detection, Uncertainty Estimation,
and Interpretability and Explainability.
The first pillar is comprised of contributions in the area of time-series anomaly detection. Deep Anomaly Detection for Time-series (DeepAnT), a novel deep learning-based anomaly detection method, lies at the foundation of the proposed hybrid framework and addresses the inadequacy of traditional anomaly detection methods. To the best of the author’s knowledge, Convolutional Neural Network (CNN) was used for the first time in Deep Anomaly Detection for Time-series (DeepAnT) to robustly detect multiple types of anomalies in the tricky
and continuously changing time-series data. To further improve the anomaly detection performance, a fusion-based method, Fusion of
Statistical and Deep Learning for Anomaly Detection (FuseAD) is proposed. This method aims to combine the strengths of existing wellfounded
statistical methods and powerful data-driven methods.
In the second pillar of this framework, a hybrid approach that combines the high accuracy of the deterministic models with the posterior distribution approximation of Bayesian neural networks is proposed.
In the third pillar of the proposed framework, mechanisms to enable both HOW and WHY parts are presented.
Embedded systems have become ubiquitous in everyday life, and especially in the automotive industry. New applications challenge their design by introducing a new class of problems that are based on a detailed analysis of the environmental situation. Situation analysis systems rely on models and algorithms of the domain of computational geometry. The basic model is usually an Euclidean plane, which contains polygons to represent the objects of the environment. Usual implementations of computational geometry algorithms cannot be directly used for safety-critical systems. First, a strict analysis of their correctness is indispensable and second, nonfunctional requirements with respect to the limited resources must be considered. This thesis proposes a layered approach to a polygon-processing system. On top of rational numbers, a geometry kernel is formalised at first. Subsequently, geometric primitives form a second layer of abstraction that is used for plane sweep and polygon algorithms. These layers do not only divide the whole system into manageable parts but make it possible to model problems and reason about them at the appropriate level of abstraction. This structure is used for the verification as well as the implementation of the developed polygon-processing library.
In the filling process of a car tank, the formation of foam plays an unwanted role, as it may prevent the tank from being completely filled or at least delay the filling. Therefore it is of interest to optimize the geometry of the tank using numerical simulation in such a way that the influence of the foam is minimized. In this dissertation, we analyze the behaviour of the foam mathematically on the mezoscopic scale, that is for single lamellae. The most important goals are on the one hand to gain a deeper understanding of the interaction of the relevant physical effects, on the other hand to obtain a model for the simulation of the decay of a lamella which can be integrated in a global foam model. In the first part of this work, we give a short introduction into the physical properties of foam and find that the Marangoni effect is the main cause for its stability. We then develop a mathematical model for the simulation of the dynamical behaviour of a lamella based on an asymptotic analysis using the special geometry of the lamella. The result is a system of nonlinear partial differential equations (PDE) of third order in two spatial and one time dimension. In the second part, we analyze this system mathematically and prove an existence and uniqueness result for a simplified case. For some special parameter domains the system can be further simplified, and in some cases explicit solutions can be derived. In the last part of the dissertation, we solve the system using a finite element approach and discuss the results in detail.
The detection and characterisation of undesired lead structures on shaft surfaces is a concern in production and quality control of rotary shaft lip-type sealing systems. The potential lead structures are generally divided into macro and micro lead based on their characteristics and formation. Macro lead measurement methods exist and are widely applied. This work describes a method to characterise micro lead on ground shaft surfaces. Micro lead is known as the deviation of main orientation of the ground micro texture from circumferential direction. Assessing the orientation of microscopic structures with arc minute accuracy with regard to circumferential direction requires exact knowledge of both the shaft’s orientation and the direction of surface texture. The shaft’s circumferential direction is found by calibration. Measuring systems and calibration procedures capable of calibrating shaft axis orientation with high accuracy and low uncertainty are described. The measuring systems employ areal-topographic measuring instruments suited for evaluating texture orientation. A dedicated evaluation scheme for texture orientation is based on the Radon transform of these topographies and parametrised for the application. Combining the calibration of circumferential direction with the evaluation of texture orientation the method enables the measurement of micro lead on ground shaft surfaces.
1,3-Diynes are frequently found as an important structural motif in natural products, pharmaceuticals and bioactive compounds, electronic and optical materials and supramolecular molecules. Copper and palladium complexes are widely used to prepare 1,3-diynes by homocoupling of terminal alkynes; albeit the potential of nickel complexes towards the same is essentially unexplored. Although a detailed study on the reported nickel-acetylene chemistry has not been carried out, a generalized mechanism featuring a nickel(II)/nickel(0) catalytic cycle has been proposed. In the present work, a detailed mechanistic aspect of the nickel-mediated homocoupling reaction of terminal alkynes is investigated through the isolation and/or characterization of key intermediates from both the stoichiometric and the catalytic reactions. A nickel(II) complex [Ni(L-N4Me2)(MeCN)2](ClO4)2 (1) containing a tetradentate N,N′-dimethyl-2,11-diaza[3.3](2,6)pyridinophane (L-N4Me2) as ligand was used as catalyst for homocoupling of terminal alkynes by employing oxygen as oxidant at room temperature. A series of dinuclear nickel(I) complexes bridged by a 1,3-diyne ligand have been isolated from stoichiometric reaction between [Ni(L-N4Me2)(MeCN)2](ClO4)2 (1) and lithium acetylides. The dinuclear nickel(I)-diyne complexes [{Ni(L-N4Me2)}2(RC4R)](ClO4)2 (2) were well characterized by X-ray crystal structures, various spectroscopic methods, SQUID and DFT calculation. The complexes not only represent as a key intermediate in aforesaid catalytic reaction, but also describe the first structurally characterized dinuclear nickel(I)-diyne complexes. In addition, radical trapping and low temperature UV-Vis-NIR experiments in the formation of the dinuclear nickel(I)-diyne confirm that the reactions occurring during the reduction of nickel(II) to nickel(I) and C-C bond formation of 1,3-diyne follow non-radical concerted mechanism. Furthermore, spectroscopic investigation on the reactivity of the dinuclear nickel(I)-diyne complex towards molecular oxygen confirmed the formation of a mononuclear nickel(I)-diyne species [Ni(L-N4Me2)(RC4R)]+ (4) and a mononuclear nickel(III)-peroxo species [Ni(L-N4Me2)(O2)]+ (5) which were converted to free 1,3-diyne and an unstable dinuclear nickel(II) species [{Ni(L-N4Me2)}2(O2)]2+ (6). A mononuclear nickel(I)-alkyne complex [Ni(L-N4Me2)(PhC2Ph)](ClO4).MeOH (3) and the mononuclear nickel(III)-peroxo species [Ni(L-N4Me2)(O2)]+ (5) were isolated/generated and characterized to confirm the formulation of aforementioned mononuclear nickel(I)-diyne and mononuclear nickel(III)-peroxo species. Spectroscopic experiments on the catalytic reaction mixture also confirm the presence of aforesaid intermediates. Results of both stoichiometric and catalytic reactions suggested an intriguing mechanism involving nickel(II)/nickel(I)/nickel(III) oxidation states in contrast to the reported nickel(II)/nickel(0) catalytic cycle. These findings are expected to open a new paradigm towards nickel-catalyzed organic transformations.
Nowadays, accounting, charging and billing users' network resource consumption are commonly used for the purpose of facilitating reasonable network usage, controlling congestion, allocating cost, gaining revenue, etc. In traditional IP traffic accounting systems, IP addresses are used to identify the corresponding consumers of the network resources. However, there are some situations in which IP addresses cannot be used to identify users uniquely, for example, in multi-user systems. In these cases, network resource consumption can only be ascribed to the owners of these hosts instead of corresponding real users who have consumed the network resources. Therefore, accurate accountability in these systems is practically impossible. This is a flaw of the traditional IP address based IP traffic accounting technique. This dissertation proposes a user based IP traffic accounting model which can facilitate collecting network resource usage information on the basis of users. With user based IP traffic accounting, IP traffic can be distinguished not only by IP addresses but also by users. In this dissertation, three different schemes, which can achieve the user based IP traffic accounting mechanism, are discussed in detail. The inband scheme utilizes the IP header to convey the user information of the corresponding IP packet. The Accounting Agent residing in the measured host intercepts IP packets passing through it. Then it identifies the users of these IP packets and inserts user information into the IP packets. With this mechanism, a meter located in a key position of the network can intercept the IP packets tagged with user information, extract not only statistic information, but also IP addresses and user information from the IP packets to generate accounting records with user information. The out-of-band scheme is a contrast scheme to the in-band scheme. It also uses an Accounting Agent to intercept IP packets and identify the users of IP traffic. However, the user information is transferred through a separated channel, which is different from the corresponding IP packets' transmission. The Multi-IP scheme provides a different solution for identifying users of IP traffic. It assigns each user in a measured host a unique IP address. Through that, an IP address can be used to identify a user uniquely without ambiguity. This way, traditional IP address based accounting techniques can be applied to achieve the goal of user based IP traffic accounting. In this dissertation, a user based IP traffic accounting prototype system developed according to the out-of-band scheme is also introduced. The application of user based IP traffic accounting model in the distributed computing environment is also discussed.
The present situation of control engineering in the context of automated production can be described as a tension field between its desired outcome and its actual consideration. On the one hand, the share of control engineering compared to the other engineering domains has significantly increased within the last decades due to rising automation degrees of production processes and equipment. On the other hand, the control engineering domain is still underrepresented within the production engineering process. Another limiting factor constitutes a lack of methods and tools to decrease the amount of software engineering efforts and to permit the development of innovative automation applications that ideally support the business requirements.
This thesis addresses this challenging situation by means of the development of a new control engineering methodology. The foundation is built by concepts from computer science to promote structuring and abstraction mechanisms for the software development. In this context, the key sources for this thesis are the paradigm of Service-oriented Architecture and concepts from Model-driven Engineering. To mold these concepts into an integrated engineering procedure, ideas from Systems Engineering are applied. The overall objective is to develop an engineering methodology to improve the efficiency of control engineering by a higher adaptability of control software and decreased programming efforts by reuse.
Cloud Computing, or the Cloud, became one of the most used technologies in today's world, right after its possibilities had been figured out. It is a renowned technology that enables ubiquitous access to tasks that need collaboration or remote monitoring. It is widely used in daily lives as well as the industry. The paradigm uses Internet Technologies which rely on best-effort communication. Best-effort communication limits the applicability of the technology in the domains where the timing is critical. Edge Computing is a paradigm that is seen as a complementary technology to the Cloud. It is expected to solve the Quality of Service (QoS) and latency problems that are raised due to the increased count of connected devices, and the physical distance between the infrastructure and devices. The Edge Computing adds a new tier between Information Technology (IT) and Operational Technology (OT) and brings the computing power close to the source of the data. Computing power near devices reduces the dependency to the Internet; hence, in case of a network failure, the computation can still continue. Close proximity deployments also enable the application of Edge Computing in the areas where real-timeliness is necessary. Computation and communication in Edge Computing are performed via Edge Servers. This thesis suggests a standardized and hardware-independent software reference architecture for Edge Servers that can be realized as a framework on servers, to be used on domains where the timing is critical. The suggested architecture is scalable, extensible, modular, multi-user supported, and decentralized. In decentralized systems, several precautions must be taken into consideration, such as latencies, delays, and available resources of the neighbouring servers. The resulting architecture evaluates these factors and enables real-time execution. It also hides the complexity of low-level communication and automates the collaboration between Edge Servers to enable seamless offloading in case of a need due to lack of resources. The thesis also validates an exemplary instance of the architecture with at framework, called Real-Time Execution Framework (RTEF), with multiple scenarios. The tasks used are resource-demanding and requested to be executed on an Edge Server in an Edge Network comprising multiple Edge Servers. The servers can make decisions by evaluating their availabilities, and determine the optimal location to execute the task, without causing deadline misses. Even under a heavy load, the decisions made by the servers to execute the tasks on time were correct, and the concept is proven.
A Multi-Phase Flow Model Incorporated with Population Balance Equation in a Meshfree Framework
(2011)
This study deals with the numerical solution of a meshfree coupled model of Computational Fluid Dynamics (CFD) and Population Balance Equation (PBE) for liquid-liquid extraction columns. In modeling the coupled hydrodynamics and mass transfer in liquid extraction columns one encounters multidimensional population balance equation that could not be fully resolved numerically within a reasonable time necessary for steady state or dynamic simulations. For this reason, there is an obvious need for a new liquid extraction model that captures all the essential physical phenomena and still tractable from computational point of view. This thesis discusses a new model which focuses on discretization of the external (spatial) and internal coordinates such that the computational time is drastically reduced. For the internal coordinates, the concept of the multi-primary particle method; as a special case of the Sectional Quadrature Method of Moments (SQMOM) is used to represent the droplet internal properties. This model is capable of conserving the most important integral properties of the distribution; namely: the total number, solute and volume concentrations and reduces the computational time when compared to the classical finite difference methods, which require many grid points to conserve the desired physical quantities. On the other hand, due to the discrete nature of the dispersed phase, a meshfree Lagrangian particle method is used to discretize the spatial domain (extraction column height) using the Finite Pointset Method (FPM). This method avoids the extremely difficult convective term discretization using the classical finite volume methods, which require a lot of grid points to capture the moving fronts propagating along column height.
A Multi-Sensor Intelligent Assistance System for Driver Status Monitoring and Intention Prediction
(2017)
Advanced sensing systems, sophisticated algorithms, and increasing computational resources continuously enhance the advanced driver assistance systems (ADAS). To date, despite that some vehicle based approaches to driver fatigue/drowsiness detection have been realized and deployed, objectively and reliably detecting the fatigue/drowsiness state of driver without compromising driving experience still remains challenging. In general, the choice of input sensorial information is limited in the state-of-the-art work. On the other hand, smart and safe driving, as representative future trends in the automotive industry worldwide, increasingly demands the new dimensional human-vehicle interactions, as well as the associated behavioral and bioinformatical data perception of driver. Thus, the goal of this research work is to investigate the employment of general and custom 3D-CMOS sensing concepts for the driver status monitoring, and to explore the improvement by merging/fusing this information with other salient customized information sources for gaining robustness/reliability. This thesis presents an effective multi-sensor approach with novel features to driver status monitoring and intention prediction aimed at drowsiness detection based on a multi-sensor intelligent assistance system -- DeCaDrive, which is implemented on an integrated soft-computing system with multi-sensing interfaces in a simulated driving environment. Utilizing active illumination, the IR depth camera of the realized system can provide rich facial and body features in 3D in a non-intrusive manner. In addition, steering angle sensor, pulse rate sensor, and embedded impedance spectroscopy sensor are incorporated to aid in the detection/prediction of driver's state and intention. A holistic design methodology for ADAS encompassing both driver- and vehicle-based approaches to driver assistance is discussed in the thesis as well. Multi-sensor data fusion and hierarchical SVM techniques are used in DeCaDrive to facilitate the classification of driver drowsiness levels based on which a warning can be issued in order to prevent possible traffic accidents. The realized DeCaDrive system achieves up to 99.66% classification accuracy on the defined drowsiness levels, and exhibits promising features such as head/eye tracking, blink detection, gaze estimation that can be utilized in human-vehicle interactions. However, the driver's state of "microsleep" can hardly be reflected in the sensor features of the implemented system. General improvements on the sensitivity of sensory components and on the system computation power are required to address this issue. Possible new features and development considerations for DeCaDrive are discussed as well in the thesis aiming to gain market acceptance in the future.
The simulation of cutting process challenges established methods due to large deformations and topological changes. In this work a particle finite element method (PFEM) is presented, which combines the benefits of discrete modeling techniques and methods based on continuum mechanics. A crucial part of the PFEM is the detection of the boundary of a set of particles. The impact of this boundary detection method on the structural integrity is examined and a relation of the key parameter of the method to the eigenvalues of strain tensors is elaborated. The influence of important process parameters on the cutting force is studied and a comparison to an empirical relation is presented.
The dissertation is concerned with the numerical solution of Fokker-Planck equations in high dimensions arising in the study of dynamics of polymeric liquids. Traditional methods based on tensor product structure are not applicable in high dimensions for the number of nodes required to yield a fixed accuracy increases exponentially with the dimension; a phenomenon often referred to as the curse of dimension. Particle methods or finite point set methods are known to break the curse of dimension. The Monte Carlo method (MCM) applied to such problems are 1/sqrt(N) accurate, where N is the cardinality of the point set considered, independent of the dimension. Deterministic version of the Monte Carlo method called the quasi Monte Carlo method (QMC) are quite effective in integration problems and accuracy of the order of 1/N can be achieved, up to a logarithmic factor. However, such a replacement cannot be carried over to particle simulations due to the correlation among the quasi-random points. The method proposed by Lecot (C.Lecot and F.E.Khettabi, Quasi-Monte Carlo simulation of diffusion, Journal of Complexity, 15 (1999), pp.342-359) is the only known QMC approach, but it not only leads to large particle numbers but also the proven order of convergence is 1/N^(2s) in dimension s. We modify the method presented there, in such a way that the new method works with reasonable particle numbers even in high dimensions and has better order of convergence. Though the provable order of convergence is 1/sqrt(N), the results show less variance and thus the proposed method still slightly outperforms standard MCM.
This thesis is concerned with a phase field model for martensitic transformations in metastable austenitic steels. Within the phase field approach an order parameter is introduced to indicate whether the present phase is austenite or martensite. The evolving microstructure is described by the evolution of the order parameter, which is assumed to follow the time-dependent Ginzburg-Landau equation. The elastic phase field model is enhanced in two different ways to take further phenomena into account. First, dislocation movement is considered by a crystal plasticity setting. Second, the elastic model for martensitic transformations is combined with a phase field model for fracture. Finite element simulations are used to study the single effects separately which contribute to the microstructure formation.
Human interferences within the Earth System are accelerating, leading to major impacts and feedback that we are just beginning to understand. Summarized under the term 'global change' these impacts put human and natural systems under ever-increasing stress and impose a threat to human well-being, particularly in the Global South. Global governance bodies have acknowledged that decisive measures have to be taken to mitigate the causes and to adapt to these new conditions. Nevertheless, neither current international nor national pledges and measures reach the effectiveness needed to sustain global human well-being under accelerating global change. On the contrary, competing interests are not only paralyzing the international debate but also playing an increasingly important role in debates over social fragmentation and societal polarization on national and local scales. This interconnectedness of the natural and the social system and its impact on social phenomena such as cooperation and conflicts need to be understood better, to strengthen social resilience to future disturbances, drive societal transformation towards socially desirable futures while at the same time avoiding path dependencies along continuing colonial continuities. As a case example, this thesis provides insights into southwestern Amazonia, where the intertwined challenges of human contribution to global change in all its dimensions, as well as human adaptation and mitigation attempts to the imposed changes become exaggeratedly visible. As such, southwestern Amazonia with its high social, economic, and biological diversity is a good example to study the deep interrelations of humans with nature and the consequences these relations have on social cohesion amid an ecological crisis.
Therefore, this thesis takes a social-ecological perspective on conflicts and social cohesion. Social cohesion is in a wider sense understood as the way "how members of a society, group, or organization relate to each other and work together" (Dany and Dijkzeul 2022, p. 12). In particular in contexts of violence, conflicts, and fragility, little has been investigated on the role of social cohesion to govern public goods and build resilience for (future) environmental crises. At the same time, governments and international decision-makers more and more acknowledge the role of social cohesion _ comprising both relations between social groups and between groups and the state _ to build upon resilience against crises. Facing uncertainty in how natural and social systems react to certain disturbances and shocks, the governance of potential tipping points, is an additional challenge for the governance of social-ecological systems (SES). Therefore, this thesis asks: "How does governance shape pathways towards cooperative or conflictive social-ecological tipping points?" The results of this thesis can be distinguished into theoretical/conceptual results and empirical results. Initial systematic literature research on the nexus of climate change, land use, and conflict revealed, an extensive body of literature on direct effects, for example, drought-related land use conflicts, with diverging opinions on whether global warming increases the risk for conflicts or not. Adding the perspective of indirect implications, we further identified research gaps, and also a lack of policy recognition, concerning the negative externalities on land use and conflict through climate mitigation and adaptation measures. On a conceptual note, taking a social cohesion perspective into the analysis is beneficial to shift the focus from the problem-oriented perspective of vulnerabilities and conflicts to global change and potential resulting conflicts to a solution-oriented perspective of enhancing agency and resilience to strengthen collaboration. The developed Social Cohesion Conceptual Model and the related analytical framework facilitate the incorporation of societal dynamics into the analysis of SES dynamics. In addition, the elaborated Tipping Multiverse Framework took up this idea and enhanced it with a more detailed perspective on the soil ecosystem and the household livelihood system to identify entry points to potential social-ecological tipping cascades. As such, the Tipping Multiverse Framework offered two matrices that can advance the understanding of regional SES by identifying core processes, functioning, and links in each TE and thus provide entry points to identify potential tipping cascades across SES sub-systems. The exemplified application of these two frameworks on southwestern Amazonia shows the analytical potential of both proposed frameworks in advancing the understanding of social-ecological tipping points and potential tipping cascades in a regional SES.
On an empirical note, zooming in on questions of governance by applying a political ecology lens to human security, we find that 'glocal' resource governance often reproduces, amplifies, or creates power imbalances and divisions on and between different scales. Our results show that the winners of resource extraction are mostly found at the national and international scale while local communities receive little benefit and are left vulnerable to externalities. Hence, our study contributes to the existing research by stressing the importance of one underlying question: "governance by whom and for whom?" This question raised the demand to understand the underlying dynamics of resource governance and resulting conflicts. Therefore, we aimed at analyzing how (environmental) institutions influence the major drivers of social-ecological conflicts over land in and around three protected areas, Tambopata (Peru), the Extractive Reserve Chico Mendes (Brazil), and Manuripi (Bolivia). We found that state institutions, in particular, have the following effects on key conflict drivers: Overlapping responsibilities of governance institutions and limited enforcement of regulations protecting and empowering rural and disadvantaged populations, enabling external actors to (illegally) access and control resources in the protected areas. Consequently, the already fragile social contract between the residents of the protected area and its surrounding areas and the central state is further weakened by the expanding influence of criminal organizations that oppose the state's authority. For state institutions to avoid aggravating these conflict drivers but instead better manage them or even contribute to conflict prevention and mitigation, a transformation from reactive to reflexive institutions and the development of new reflexive governance competencies is needed.
This need for reflexive governance becomes particularly visible when sudden disturbances or shocks impact the SES. Our analysis of the impacts of the COVID-19 pandemic on the interconnections of land use change, ecosystem services, human agency, conflict, and cooperation that the pandemic has had a severe influence on the human security of marginalized social groups in southwestern Amazonia. Civil society actions have been an essential strategy in the fight against COVID-19, not just in the health sector but also in the economic, political, social, and cultural realms. However, our research also showed that the pandemic has consolidated and partly renewed criminal structures, while the already weak state has fallen further behind due to additional tasks managing the pandemic and other disasters such as floods.
In conclusion, it can be said that the reflexivity of governance is crucial to foster cooperation and preventing conflicts in the realm of social-ecological systems. By not only reacting to already occurring changes but also reflecting upon potential future changes, governance can shape transformation pathways away from the detrimental and towards life-sustaining pathways. It can do so, by exercising agency across scales to avoid the crossing of detrimental social-ecological tipping points but rather to trigger life-sustaining tipping points that contribute to global social-ecological well-being.
Ecotoxicology is the science that researches effects of toxicants on biological entities. Following the famous toxicological principle formulated 1538 by von Hohenheim, known as Paracelsus, thereby generally all chemicals are able to act as toxicants. Unlike human toxicology that focuses on toxic effects on individuals and populations of one species, Homo sapiens, ecotoxicology is not constrained in its scope of biological entities. It is interested in toxic effects on individuals and populations of any species (excluding humans), and on communities and entire ecosystems (Walker et al., 2012; Köhler & Triebskorn, 2013; Newman 2014). One example of where the ecological foundation of ecotoxicology manifests itself are indirect effects, which are effects on biological entities that are not directly caused by chemicals but instead are mediated by ecological interactions and environmental conditions (Walker et al., 2012). With this large scope, ecotoxicology is an inter- and multidisciplinary science that links chemical, biological and environmental knowledge.
With millions of species and at least 100,000 chemicals that potentially interact with them in the environment (Wang et al., 2021), ecotoxicology has a large ground to cover. Among these sheer numbers, there are some groups that are of special importance regarding their potential environmental impact. Pesticides are one group of chemicals that have a large, if not the largest, ecotoxicological relevance: they are toxic for biological entities, sometimes in very low concentrations , and they are used in large amounts and globally (Bernhardt et al., 2017). The high toxicity of pesticides, much higher than that of most other groups of chemicals, is a result of their intended use: they are designed to reduce detrimental effects of, e.g., insects, plants or fungi on agriculture by controlling respective populations, often, and in the sense of their Latin name, through induced lethality (Walker et al., 2012). However, they act not specific enough to be toxic only for the intended species that are considered pests, but also show toxicity towards species living in habitats next to pesticide-treated areas. The widespread agricultural use of pesticides, on the other hand, is a result of their work-and-cost-efficiency for securing yields, but also results in exposure of ecosystems at a global scale (Sharma et al., 2019). In summary, pesticides can be abstractly seen as toxicity intentionally applied to agricultural areas, unintentionally also exposing organisms in non-agricultural areas to toxicity.
The risks of pesticide use for ecosystems have led major jurisdictions, like the United States of America (US) and the European Union (EU), to enact elaborated regulatory processes that require a registration of pesticides prior use (EFSA, 2013; EPA, 2011; Stehle & Schulz, 2015b). A by-product of these registration processes are regulatory threshold levels (RTL) which can be used for scientific risk analysis outside the regulatory process (Stehle & Schulz, 2015a). The RTL for an organism group is basically derived from the most sensitive effect concentrations found in standardized toxicity tests for species representative for the group, multiplied by a safety factor, although specifics differ among regulatory processes. Conceptually, they mark the threshold that separates environmental concentrations associated with acceptable risk (concentrations below the RTL) from concentrations associated with unacceptable risk (concentrations above the RTL).
Due to the high degree of procedural standardization in the derivation of RTLs, they have been found as a good measure to make the toxicities of different pesticides comparable, and they were employed in a series of studies to characterize environmental pesticide concentrations (e.g., Stehle & Schulz, 2015a; Stehle et al., 2018; Wolfram et al., 2018; Wolfram et al., 2021; Schulz et al., 2021, also, in Appendix B; Bub et al., 2023, also, in Appendix C). RTL reflect, for instance, that insecticides show regulatory unacceptable concentrations towards fish between 3 ng/L (deltamethrin, a pyrethroid) and 110 mg/L (imidacloprid, a neonicotinoid), a range of nine orders of magnitude. At the same, imidacloprid is very toxic to pollinators (RTL of 1.52 ng/organism), while more than 95% of all of the insecticides, with regulatory unacceptable concentrations among insecticides ranging as high as 1,6 mg/organism, indicating a toxicity six orders of magnitude lower than that of imidacloprid.
At large-scales, ecotoxicology deals with pesticide impacts on a national (e.g., Bub et al., 2023; Douglas & Tooker, 2015; Hallmann et al., 2014; Schulz et al., 2021; Stehle et al., 2019; Wolfram et al., 2018), continental (Wolfram et al., 2021) or the global scale (Stehle & Schulz, 2015a; Stehle et al., 2018). This maximization of considered scale is in line with the general tendency of ecotoxicology towards larger scales, but generally requires new methodological and conceptual approaches. Historically, individual chemicals and groups of chemicals have been identified that mark, caused by their immense release into the environment, main disruptors of processes in the Earth system, like greenhouses gases for the climate change, chlorofluorocarbons for the depletion of the atmosphere’s ozone layer, dichlorodiphenyl-trichloroethane and other organochlorides for bioaccumulation in food webs and declines in bird populations, etc., but for other phenomena, like declines in biodiversity or numbers of insect species (Outhwaite et al., 2020; Seibold et al., 2019; Vörösmarty et al., 2010), the active part of chemical pollution is only understood to a much lesser extent. There are indicators that pesticides may play a major role
This dissertation contributes to the research of large-scale risks of pesticide use, and of large-scale ecotoxicology in general, in several ways (Figure 1). In Chapter 2, it presents a labeled property graph, the MAGIC graph (Meta-Analysis of the Global Impact of Chemicals graph), as a solution to the methodological issues that arise when increasing amounts of data from more and more sources are combined for analysis (Bub et al., 2019; also, in Appendix A). The MAGIC graph is able to link chemical information from different sources, even if these sources use different nomenclatures. This enables analyses that incorporate toxicological data, like thousands of RTLs (for different organism groups and jurisdictions) for hundreds of pesticides, and information on pesticide use and chemical classes. The MAGIC graph is implemented in a way that allows it to be organically extended by additional chemical, biological and environmental data, and eventually scaled to all chemicals of environmental interest.
Chapter 3 shows, how the combination of the linked pesticide data with a systemic consideration of pesticide use supports the interpretation of pesticide risks in the US (Schulz et al., 2021; also, in Appendix B). This systemic approach includes a new measure, the total applied toxicity (TAT), which integrates used pesticide amounts and pesticide toxicities, and the consideration of pesticide use as a complex system whose state and evolution can be visualized in phase-space plots. The combination of the described methods and concepts led to a novel view on pesticide risks in the US and can provide a framework for future ecotoxicological research at large scales.
Chapter 4 displays the results of the methods and concepts of the US pesticide risk analysis applied to Germany (Bub et al., 2023; also, in Appendix C). A pesticide risk analysis of Germany is of special importance in the context of the EU’s goal to drastically reduce pesticide risks (European Commission, 2020) and Germany being one of the important agricultural producers in the EU. A comparison of the results for Germany to those for the US did also allow to evaluate the impact of scale and differing RTLs, information that can help other ecotoxicological large-scale assessments. Chapter 5 adds a conclusion and an outlook.
In this thesis, we investigate a statistical model for precipitation time series recorded at a single site. The sequence of observations consists of rainfall amounts aggregated over time periods of fixed duration. As the properties of this sequence depend strongly on the length of the observation intervals, we follow the approach of Rodriguez-Iturbe et. al. [1] and use an underlying model for rainfall intensity in continuous time. In this idealized representation, rainfall occurs in clusters of rectangular cells, and each observations is treated as the sum of cell contributions during a given time period. Unlike the previous work, we use a multivariate lognormal distribution for the temporal structure of the cells and clusters. After formulating the model, we develop a Markov-Chain Monte-Carlo algorithm for fitting it to a given data set. A particular problem we have to deal with is the need to estimate the unobserved intensity process alongside the parameter of interest. The performance of the algorithm is tested on artificial data sets generated from the model. [1] I. Rodriguez-Iturbe, D. R. Cox, and Valerie Isham. Some models for rainfall based on stochastic point processes. Proc. R. Soc. Lond. A, 410:269-288, 1987.
The main goal of this work is to model size effects, as they occur in materials with an intrinsic microstructure at the consideration of specimens that are not by orders larger than this microstructure. The micromorphic continuum theory as a generalized continuum theory is well suited to account for the occuring size effects. Thereby additional degrees of freedoms capture the independent deformations of these microstructures, while they provide additional balance equation. In this thesis, the deformational and configurational mechanics of the micromorphic continuum is exploited in a finite-deformation setting. A constitutive and numerical framework is developed, in which also the material-force method is advanced. Furthermore the multiscale modelling of thin material layers with a heterogeneous substructure is of interest. To this end, a computational homogenization framework is developed, which allows to obtain the constitutive relation between traction and separation based on the properties of the underlying micromorphic mesostructure numerically in a nested solution scheme. Within the context of micromorphic continuum mechanics, concepts of both gradient and micromorphic plasticity are developed by systematically varying key ingredients of the respective formulations.
The interest of the exploration of new hydrocarbon fields as well as deep geothermal reservoirs is permanently growing. The analysis of seismic data specific for such exploration projects is very complex and requires the deep knowledge in geology, geophysics, petrology, etc from interpreters, as well as the ability of advanced tools that are able to recover some particular properties. There again the existing wavelet techniques have a huge success in signal processing, data compression, noise reduction, etc. They enable to break complicate functions into many simple pieces at different scales and positions that makes detection and interpretation of local events significantly easier.
In this thesis mathematical methods and tools are presented which are applicable to the seismic data postprocessing in regions with non-smooth boundaries. We provide wavelet techniques that relate to the solutions of the Helmholtz equation. As application we are interested in seismic data analysis. A similar idea to construct wavelet functions from the limit and jump relations of the layer potentials was first suggested by Freeden and his Geomathematics Group.
The particular difficulty in such approaches is the formulation of limit and
jump relations for surfaces used in seismic data processing, i.e., non-smooth
surfaces in various topologies (for example, uniform and
quadratic). The essential idea is to replace the concept of parallel surfaces known for a smooth regular surface by certain appropriate substitutes for non-smooth surfaces.
By using the jump and limit relations formulated for regular surfaces, Helmholtz wavelets can be introduced that recursively approximate functions on surfaces with edges and corners. The exceptional point is that the construction of wavelets allows the efficient implementation in form of
a tree algorithm for the fast numerical computation of functions on the boundary.
In order to demonstrate the
applicability of the Helmholtz FWT, we study a seismic image obtained by the reverse time migration which is based on a finite-difference implementation. In fact, regarding the requirements of such migration algorithms in filtering and denoising the wavelet decomposition is successfully applied to this image for the attenuation of low-frequency
artifacts and noise. Essential feature is the space localization property of
Helmholtz wavelets which numerically enables to discuss the velocity field in
pointwise dependence. Moreover, the multiscale analysis leads us to reveal additional geological information from optical features.
The present thesis describes the development and validation of a viscosity adaption method for the numerical simulation of non-Newtonian fluids on the basis of the Lattice Boltzmann Method (LBM), as well as the development and verification of the related software bundle SAM-Lattice.
By now, Lattice Boltzmann Methods are established as an alternative approach to classical computational fluid dynamics
methods. The LBM has been shown to be an accurate and efficient tool for the numerical simulation of weakly compressible or incompressible fluids. Fields of application reach from turbulent simulations through thermal problems to acoustic calculations among others. The transient nature of the method and the need for a regular grid based, non body conformal discretization makes the LBM ideally suitable for simulations involving complex solids. Such geometries are common, for instance, in the food processing industry, where fluids are mixed by static mixers or agitators. Those fluid flows are often laminar and non-Newtonian.
This work is motivated by the immense practical use of the Lattice Boltzmann Method, which is limited due to stability issues. The stability of the method is mainly influenced by the discretization and the viscosity of the fluid. Thus, simulations of non-Newtonian fluids, whose kinematic viscosity depend on the shear rate, are problematic. Several authors have shown that the LBM is capable of simulating those fluids. However, the vast majority of the simulations in the literature are carried out for simple geometries and/or moderate shear rates, where the LBM is still stable. Special care has to be taken for practical non-Newtonian Lattice Boltzmann simulations in order to keep them stable. A straightforward way is to truncate the modeled viscosity range by numerical stability criteria. This is an effective approach, but from the physical point of view the viscosity bounds are chosen arbitrarily. Moreover, these bounds depend on and vary with the grid and time step size and, therefore, with the simulation Mach number, which is freely chosen at the start of the simulation. Consequently, the modeled viscosity range may not fit to the actual range of the physical problem, because the correct simulation Mach number is unknown a priori. A way around is, to perform precursor simulations on a fixed grid to determine a possible time step size and simulation Mach number, respectively. These precursor simulations can be time consuming and expensive, especially for complex cases and a number of operating points. This makes the LBM unattractive for use in practical simulations of non-Newtonian fluids.
The essential novelty of the method, developed in the course of this thesis, is that the numerically modeled viscosity range is consistently adapted to the actual physically exhibited viscosity range through change of the simulation time step and the simulation Mach number, respectively, while the simulation is running. The algorithm is robust, independent of the Mach number the simulation was started with, and applicable for stationary flows as well as transient flows. The method for the viscosity adaption will be referred to as the "viscosity adaption method (VAM)" and the combination with LBM leads to the "viscosity adaptive LBM (VALBM)".
Besides the introduction of the VALBM, a goal of this thesis is to offer assistance in the spirit of a theory guide to students and assistant researchers concerning the theory of the Lattice Boltzmann Method and its implementation in SAM-Lattice. In Chapter 2, the mathematical foundation of the LBM is given and the route from the BGK approximation of the Boltzmann equation to the Lattice Boltzmann (BGK) equation is delineated in detail.
The derivation is restricted to isothermal flows only. Restrictions of the method, such as low Mach number flows are highlighted and the accuracy of the method is discussed.
SAM-Lattice is a C++ software bundle developed by the author and his colleague Dipl.-Ing. Andreas Schneider. It is a highly automated package for the simulation of isothermal flows of incompressible or weakly compressible fluids in 3D on the basis of the Lattice Boltzmann Method. By the time of writing of this thesis, SAM-Lattice comprises 5 components. The main components are the highly automated lattice generator SamGenerator and the Lattice Boltzmann solver SamSolver. Postprocessing is done with ParaSam, which is our extension of the
open source visualization software ParaView. Additionally, domain decomposition for MPI
parallelism is done by SamDecomposer, which makes use of the graph partitioning library MeTiS. Finally, all mentioned components can be controlled through a user friendly GUI (SamLattice) implemented by the author using QT, including features to visually track output data.
In Chapter 3, some fundamental aspects on the implementation of the main components, including the corresponding flow charts will be discussed. Actual details on the implementation are given in the comprehensive programmers guides to SamGenerator and SamSolver.
In order to ensure the functionality of the implementation of SamSolver, the solver is verified in Chapter 4 for Stokes's First Problem, the suddenly accelerated plate, and for Stokes's Second Problem, the oscillating plate, both for Newtonian fluids. Non-Newtonian fluids are modeled in SamSolver with the power-law model according to Ostwald de Waele. The implementation for non-Newtonian fluids is verified for the Hagen-Poiseuille channel flow in conjunction with a convergence analysis of the method. At the same time, the local grid refinement as it is implemented in SamSolver, is verified. Finally, the verification of higher order boundary conditions is done for the 3D Hagen-Poiseuille pipe flow for both Newtonian and non-Newtonian fluids.
In Chapter 5, the theory of the viscosity adaption method is introduced. For the adaption process, a target collision frequency or target simulation Mach number must be chosen and the distributions must be rescaled according to the modified time step size. A convenient choice is one of the stability bounds. The time step size for the adaption step is deduced from the target collision frequency \(\Omega_t\) and the currently minimal or maximal shear rate in the system, while obeying auxiliary conditions for the simulation Mach number. The adaption is done in the collision step of the Lattice Boltzmann algorithm. We use the transformation matrices of the MRT model to map from distribution space to moment space and vice versa. The actual scaling of the distributions is conducted on the back mapping, because we use the transformation matrix on the basis of the new adaption time step size. It follows an additional rescaling of the non-equilibrium part of the distributions, because of the form of the definition for the discrete stress tensor in the LBM context. For that reason it is clear, that the VAM is applicable for the SRT model as well as the MRT model, where there is virtually no extra cost in the latter case. Also, in Chapter 5, the multi level treatment will be discussed.
Depending on the target collision frequency and the target Mach number, the VAM can be used to optimally use the viscosity range that can be modeled within the stability bounds or it can be used to drastically accelerate the simulation. This is shown in Chapter 6. The viscosity adaptive LBM is verified in the stationary case for the Hagen-Poiseuille channel flow and in the transient case for the Wormersley flow, i.e., the pulsatile 3D Hagen-Poiseuille pipe flow. Although, the VAM is used here for fluids that can be modeled with the power-law approach, the implementation of the VALBM is straightforward for other non-Newtonian models, e.g., the Carreau-Yasuda or Cross model. In the same chapter, the VALBM is validated for the case of a propeller viscosimeter developed at the chair SAM. To this end, the experimental data of the torque on the impeller of three shear thinning non-Newtonian liquids serve for the validation. The VALBM shows excellent agreement with experimental data for all of the investigated fluids and in every operating point. For reasons of comparison, a series of standard LBM simulations is carried out with different simulation Mach numbers, which partly show errors of several hundred percent. Moreover, in Chapter 7, a sensitivity analysis on the parameters used within the VAM is conducted for the simulation of the propeller viscosimeter.
Finally, the accuracy of non-Newtonian Lattice Boltzmann simulations with the SRT and the MRT model is analyzed in detail. Previous work for Newtonian fluids indicate that depending on the numerical value of the collision frequency \(\Omega\), additional artificial viscosity is introduced due to the finite difference scheme, which negatively influences the accuracy. For the non-Newtonian case, an error estimate in the form of a functional is derived on the basis of a series expansion of the Lattice Boltzmann equation. This functional can be solved analytically for the case of the Hagen-Poiseuille channel flow of non-Newtonian fluids. The estimation of the error minimum is excellent in regions where the \(\Omega\) error is the dominant source of error as opposed to the compressibility error.
Result of this dissertation is a verified and validated software bundle on the basis of the viscosity adaptive Lattice Boltzmann Method. The work restricts itself on the simulation of isothermal, laminar flows with small Mach numbers. As further research goals, the testing of the VALBM with minimal error estimate and the investigation of the VALBM in the case of turbulent flows is suggested.
The subject of this thesis is the probabilistic reliability assessment of notched metallic components under periodic constant-amplitude loads with respect to the failure mode of high-cycle fatigue. The latter refers to the crack initiation within the considered component caused by a high number, typically millions, of load cycles characterized by their small magnitude in terms of the material's static strength. In order to estimate the probability of failure due to high-cycle fatigue for a specified component under given loads, a new empirical model based on weakest-link theory is developed which describes a probabilistic and component specific constant-life diagram with respect to the anticipated design life. A conventional, non-probabilistic constant-life diagram reflects a discrete design boundary in terms of mean stress and stress amplitude, typically based on test results with respect to unnotched coupons made from the material of interest. Its application to the design of a notched component is established by identifying the stress conditions at the component's hot spot with those acting in the smooth coupons during the tests, and comparing those hot-spot conditions with the design boundary described in the constant-life diagram. Disregarded influences, such as notch and statistical size effect have to be incorporated by respective correction factors. The proposed probabilistic model on the other hand describes a continuous field of failure probabilities in the design stress plane, taking into account not only the hot-spot stresses, but the entire cyclic stress field acting throughout the component. In this way, the methodology directly accounts for notch and statistical size effects. Responsible for providing this greater scope is the weakest-link concept, which represents a non-local stochastic approach for quantifying the failure probability of loaded solids. The four model parameters can be calibrated with fatigue test data sets containing entirely unrelated test results on arbitrary specimen geometries, obliterating the constraining need for test data following staircase or probit schemes. This work contains the formulation, analysis, validation and application of the proposed model. After its introduction and a comparison with existing methods, it is analyzed in terms of its numerical properties when applied to finite element models, its efficient calibration and the corresponding model uncertainty. The validation is split into two parts. In a first analysis, the model is fitted to test data, containing results on several types of notched specimens, reflecting predominantly elastic material behavior. In a second step, this restriction is lifted and the model is used in order to predict the failure behavior of notched test specimens experiencing notch root plasticity due to high mean stresses. In both validation studies, the derived model predictions are, for the most part, well in line with the experimentally observed failure behavior of the test specimens. Finally, the applicability of the proposed probabilistic methodology in a design context is demonstrated on the example of a gas turbine compressor blade and the corresponding compressor stage.
This dissertation is intended to transport the theory of Serre functors into the context of A-infinity-categories. We begin with an introduction to multicategories and closed multicategories, which form a framework in which the theory of A-infinity-categories is developed. We prove that (unital) A-infinity-categories constitute a closed symmetric multicategory. We define the notion of A-infinity-bimodule similarly to Tradler and show that it is equivalent to an A-infinity-functor of two arguments which takes values in the differential graded category of complexes of k-modules, where k is a commutative ground ring. Serre A-infinity-functors are defined via A-infinity-bimodules following ideas of Kontsevich and Soibelman. We prove that a unital closed under shifts A-infinity-category over a field admits a Serre A-infinity-functor if and only if its homotopy category admits an ordinary Serre functor. The proof uses categories and Serre functors enriched in the homotopy category of complexes of k-modules. Another important ingredient is an A-infinity-version of the Yoneda Lemma.
In dieser Arbeit wurden für die Moleküle B3, B3- und C3+ mit dem MR-CI-Verfahren hochgenaue Potentialfächen für ein oder mehrere elektronische Zustände berechnet. Alle drei Moleküle besitzen elektronisch entartete Jahn-Teller-Zustände. Im Gegesatz zu den früher untersuchten Alkalitrimeren liegt hier die konische Durchschneidung so tief, dass sie bei der Schwingungsanalyse berücksichtigt werden muss und daher eine diabatische Behandlung erfordlich ist. Für den X<-1E'-Übergang im B3 konnte die Übereinstimmung des berechneten Spektrum mit dem gemessenen durch den Einsatz des größeren Basissatzes VQZ, im Vergleich zu den bereits veröffentlichten Ergebnissen, nochmals deutlich verbessert werden. Für den berechneten 00-Übergang ist im gemessen Spektrum kein Übergang zu beobachten. Neben der guten Übereinstimmung der anderen Peaks wird diese These auch die T00 Energie gestützt. Die einfache Progression des experimentellen X<-2E'-Übergangs im B3 konnte ebenfalls in gute Übereinstimmung berechnet werden. Die einfache und kurze Progression ergibt sich aus der Tatsache, dass praktisch keine Jahn-Teller-Verzerrung vorhanden ist, und beide Teilflächen fast deckungsgleich sind. Für den X<-1E'-Übergang des B3- wurde ebenfalls ein Spektrum simuliert, allerdings findet sich keine Übereinstimmung zu den gemessenen Übergängen. Da die beobachtete Elektronenablöseenergie nur unwesentlich oberhalb der Elektronenanregungsenergie liegt und im Hinblick auf die starken X<-2E'-Absorptionen des B3 in der gleichen Messung bleibt offen, welche Strukturn im Experiment zu sehen sind. Zum C3+ wurde eine Schwingungsanalyse für den E'-Grundzustand durchgeführt. Experimentelle Vergleichswerte fehlen in diesem Fall. Allerdings konnte die bereits seit mehr als einem Jahrzehnt diskutierte Höhe der Isomerisierungsenergie zwischen gewinkelter und linearer Geometrie sehr genau, auf nun 6.8 +- 0.5 kcal/mol festgelegt werden. Bei vibronischer Betrachtung unter Einbeziehung der Nullpunktsenergien reduziert sich diese auf bzw. 4.8 kcal/mol. Ausserdem wurde die Existenz eines linearen Minimums bestätigt. C3+ liefert auch ein sehr schönes Beispiel für die Verschränkung verschiedener lokaler und globaler Schwingungszustände, was zu einer irregulären Abfolge von Zuständen führt. Für die Reaktivität des C3+ wurde beobachtet, dass es unterhalb von 50 K die höchste Reaktivität besitzt und darüber deutlich abnimmt. Auf dieses Verhalten liefert die Schwingungsanalyse keine Antwort, da bis selbst zur Raumtemperatur keine thermische Schwingungsanregung statt finden kann.
Im Mittelpunkt der Untersuchungen standen Bismut-Aren-Komplexe der Reihen [(C6H6)BiCl3-n]n+ (n = 0 – 3) und [(MemC6H6-m)BiCl3] (m = 0 – 3). Außerdem wurden die leichteren Homologen [(C6H6)SbCl3] und [(C6H6)AsCl3] untersucht, um Gruppentrends zu erkennen. Es wurden auch die zu den Komplexen [(C6H6)BiCl3-n]n+ (n = 1 – 3) isoelektronischen Blei-Aren-Komplexe mit in die Betrachtungen einbezogen. Von prinzipiellem Interesse ist der Komplex [(C6H6)2Pb]2+, der als Prototyp eines bent-Sandwich-Bis(aren)hauptgruppenelement-Komplexes aufzufassen ist. Die Strukturen der Neutralkomplexe und Komplexkationen wurden auf MP2(fc)/6-31+G(d)(C,H);SBKJC(d)(Bi,Cl)-Niveau optimiert. Die Wechselwirkungsenergie in [(C6H6)BiCl3] beträgt –23 kJ/mol (MP4). Betrachtungen der Elektronenlokalisierungsfunktion und der Molekülorbitale trugen zum Verständnis der Bindungsverhältnisse in den untersuchten Aren-Komplexen bei. Eine Kristallstrukturanalyse bestätigte die gefundenen Trends der Rechnungen. Die Aren-Komplexe mit leichteren Zentralatomen sind weniger stabil. Außerdem steigt die Stabilität mit der Basizität des Aren-Liganden leicht und mit der Ladung der Komplexe stark an. Zur Untersuchung (B3LYP/6-311+G(d)) der Bindungsverhältnisse im P4-Ring des Tetrakis(amino)-1l5,3l5-Tetraphosphets und der P-P-Bindung seines [2+2]-Cycloreversionsprodukts wurden die Elektronenlokalisierungsfunktionen, wichtige Molekülorbitale, Bindungsordnungen, berechnete chemische Verschiebungen der Phosphorkerne und kernunabhängige chemische Verschiebungen betrachtet. Danach kann für die P-P-Bindung im P4-Ring des Tetraphosphets ein beträchtlicher p-Bindungsanteil angenommen werden. Die P-P-Bindung im [2+2]-Cycloreversionsprodukt kann als elektronisch ungewöhnliche, durch Coulombkräfte verkürzte Doppelbindung verstanden werden. Bei präparativen Arbeiten zu funktionalisierten Aminoarsanen wurde vor einiger Zeit ein Tetrakis(amino)diarsan mit einer außerordentlich langen As-As-Bindung (2,673(3) Å) erhalten. Quantenchemische Rechnungen (B3LYP/6-31+G(d)) bestätigen und unterstützen diesen Befund und räumen letzte Zweifel im Zusammenhang mit der kristallstrukturanalytischen Bestimmung der Bindungslänge aus.
Abbildung von Arbeitszufriedenheits-Strukturen im soziotechnischen Modell der Berufsgruppe Busfahrer
(2023)
Hintergrund: Die Übertragung von allgemeinen Erkenntnissen der Arbeitszufriedenheit (AZ) auf spezifische Berufsgruppen ist ohne Einbezug von Berufskontext und Persönlichkeit der involvierten Individuen nicht sinnhaft möglich. Mixed Methods Ansätze, samt darin inkludierter Experteninterviews, sind relevant um Zusammenhänge aus Expertensicht verstehen zu können. Der vorherrschenden Kritik der bestehenden Eindimensionalität der AZ Forschung soll damit begegnet werden.
Methode: Leitfadengestützte, teilstrukturierte Interviewerhebungen führten zu Faktorenidentifikation und Hypothesenmodellbildung der Berufsgruppe deutscher Busfahrer des öffentlichen Personennahverkehrs. In Fragebogenform wurden folgende Aspekte erhoben: Effort-Reward-Imbalance (ERI), Resilienz (RS 11), Arbeitszufriedenheitstypisierung (FEAT), Work-Life-Balance (TKS-WLB), Persönlichkeitsausprägungen (BFI-10), Gefährdungsbeurteilung gegenüber psychischen Belastungen am Arbeitsplatz (COPSOQ), Spillover zwischen Arbeit und Privatleben (BAOF). Strukturgleichungsmodelle (SGM) wurden zur teilweisen Quantifizierung der Hypothesenmodelle erstellt. Strukturiert wurde die Arbeit im soziotechnischen Modell (STM).
Ergebnisse: Die qualitative Datenanalyse wurde anhand des STMverfahrens geleitet und anschließend in Form von Causal-Loop-Diagrammen (CLD) abgebildet. Bestehende Faktoren der AZ (hemmend oder fördernd), ihre Interaktionen untereinander, sowie daraus entstehende Wirkketten konnten so abgebildet werden. Die SGM zeigten hohe Modellgüte (Chi²/df = 1.29; 1.90), hohe Modellaufklärung (TLI und CFI > .95; >.90) und gute Annäherung an ein perfektes Messmodell (RMSEA= .03; .06). TKS-WLB und BAOF zeigten reduzierte Werte. Die ERI identifizierte bei 68% der Probanden eine Gratifikationskrise (M=1.32, SD=.56). Mit einem Overcommitment (OC) von M=.63 neigen Busfahrer eher zu einer beruflichen Verausgabung. Arbeitsplatzsicherheit (M=5.03; SD= 1.71) wurde als adäquat eingeschätzt, Wertschätzung (M=4.51; SD=1.66) neutral und die Möglichkeit der Weiterqualifizierung (M=5.63; SD=1.89) als schwach. Die Resilienz (M=64; SD=3.58) wurde als stark ausgeprägt eingestuft. Die Persönlichkeitsmerkmale (BFI10) der Probanden weisen Normwerte der Verträglichkeit (M=3.30; SD=.77) und des Neurotizismus (M=2.18; SD=.79), etwas reduzierte Werte der Offenheit (M=3.31; SD=.92) und Extraversion (M=3.48; SD=.92) im Vergleich und deutlich ausgeprägte Ergebnisse der Gewissenhaftigkeit (M=4.08; SD=.84) auf. Im FEAT konnten 7 maßgebliche Typen identifiziert werden.
Fazit: Die Herangehensweise dieser Arbeit über die Gliederung des STM und die darin eingebettete Aufbereitung identifizierter Faktoren über CLD, zeigte Ausprägung, Ladung und Zusammenhang einwirkender Faktoren auf die AZ im Berufsbild Busfahrer und erschloss Systemverständnis in diesem Berufsbild hinsichtlich der AZ. Einbezug persönlichkeitsbezogener Aspekte erweiterten das Verständnis dieses bislang wenig beachteten Berufsbildes.
Diese Arbeit gehört in die algebraische Geometrie und die Darstellungstheorie und stellt eine Beziehung zwischen beiden Gebieten dar. Man beschäftigt sich mit den abgeleiteten Kategorien auf flachen Entartungen projektiver Geraden und elliptischer Kurven. Als Mittel benutzt man die Technik der Matrixprobleme. Das Hauptergebnis dieser Dissertation ist der folgende Satz: SATZ. Sei X ein Zykel projektiver Geraden. Dann gibt es drei Typen unzerlegbarer Objekte in D^-(Coh_X): - Shifts von Wolkenkratzergarben in einem regulären Punkt; - Bänder B(w,m,lambda), - Saiten S(w). Ganz analog beweist man die Zahmheit der abgeleiteten Kategorien vieler assoziativer Algebren.
Computer-based simulation and visualization of acoustics of a virtual scene can aid during the design process of concert halls, lecture rooms, theaters, or living rooms. Because, not only the visual aspect of the room is important, but also its acoustics. In factory floors noise reduction is important since noise is hazardous to health. Despite the obvious dissimilarity between our aural and visual senses, many techniques required for the visualization of photo-realistic images and for the auralization of acoustic environments are quite similar. Both applications can be served by geometric methods such as particle- and ray tracing if we neglect a number of less important effects. By means of the simulation of room acoustics we want to predict the acoustic properties of a virtual model. For auralization, a pulse response filter needs to be assembled for each pair of source and listener positions. The convolution of this filter with an anechoic source signal provides the signal received at the listener position. Hence, the pulse response filter must contain all reverberations (echos) of a unit pulse, including their frequency decompositions due to absorption at different surface materials. For the room acoustic simulation a method named phonon tracing, since it is based on particles, is developed. The approach computes the energy or pressure decomposition for each particle (phonon) sent out from a sound source and uses this in a second pass (phonon collection) to construct the response filters for different listeners. This step can be performed in different precision levels. During the tracing step particle paths and additional information are stored in a so called phonon map. Using this map several sound visualization approaches were developed. From the visualization, the effect of different materials on the spectral energy / pressure distribution can be observed. The first few reflections already show whether certain frequency bands are rapidly absorbed. The absorbing materials can be identified and replaced in the virtual model, improving the overall acoustic quality of the simulated room. Furthermore an insight into the pressure / energy received at the listener position is possible. The phonon tracing algorithm as well as several sound visualization approaches are integrated into a common system utilizing Virtual Reality technologies in order to facilitate the immersion into the virtual scene. The system is a prototype developed within a project at the University of Kaiserslautern and is still a subject of further improvements. It consists of a stereoscopic back-projection system for visual rendering as well as professional audio equipment for auralization purposes.
Three dimensional (3d) point data is used in industry for measurement and reverse engineering. Precise point data is usually acquired with triangulating laser scanners or high precision structured light scanners. Lower precision point data is acquired by real-time structured light devices or by stereo matching with multiple cameras. The basic principle of all these methods is the so-called triangulation of 3d coordinates from two dimensional (2d) camera images.
This dissertation contributes a method for multi-camera stereo matching that uses a system of four synchronized cameras. A GPU based stereo matching method is presented to achieve a high quality reconstruction at interactive frame rates. Good depth resolution is achieved by allowing large disparities between the images. A multi level approach on the GPU allows a fast processing of these large disparities. In reverse engineering, hand-held laser scanners are used for the scanning of complex shaped objects. The operator of the scanner can scan complex regions slower, multiple times, or from multiple angles to achieve a higher point density. Traditionally, computer aided design (CAD) geometry is reconstructed in a separate step after the scanning. Errors or missing parts in the scan prevent a successful reconstruction. The contribution of this dissertation is an on-line algorithm that allows the reconstruction during the scanning of an object. Scanned points are added to the reconstruction and improve it on-line. The operator can detect the areas in the scan where the reconstruction needs additional data.
First, the point data is thinned out using an octree based data structure. Local normals and principal curvatures are estimated for the reduced set of points. These local geometric values are used for segmentation using a region growing approach. Implicit quadrics are fitted to these segments. The canonical form of the quadrics provides the parameters of basic geometric primitives.
An improved approach uses so called accumulated means of local geometric properties to perform segmentation and primitive reconstruction in a single step. Local geometric values can be added and removed on-line to these means to get a stable estimate over a complete segment. By estimating the shape of the segment it is decided which local areas are added to a segment. An accumulated score estimates the probability for a segment to belong to a certain type of geometric primitive. A boundary around the segment is reconstructed using a growing algorithm that ensures that the boundary is closed and avoids self intersections.
Acrylamid und Acrolein gehören zu den alpha,beta-ungesättigten Carbonylverbindungen. Sie zeichnen sich wie andere alpha,beta-ungesättigte Carbonylverbindungen durch eine hohe Reaktionsfähigkeit aus. Einerseits können sie leicht mit Proteinen und DNA reagieren, was zytotoxische und genotoxische Wirkungen hervorrufen kann, andererseits können sie aber auch schnell durch Glutathionkonjugation detoxifiziert werden.
Acrylamid ist eine in großem Umfang produzierte Industriechemikalie, die hauptsächlich Anwendung bei der Herstellung von Polyacrylamidprodukten findet. Aus Acrylamid hergestellte Polymere und Copolymere werden in der Kosmetikindustrie, als Bindemittel bei der Papierherstellung, als Flockungsmittel in der Abwasseraufbereitung und in biochemischen Laboratorien verwendet. Nachdem Acrylamid-Hämoglobin-Addukte im Jahre 2002 auch in nicht Acrylamid-exponierten Personen gefunden wurden, vermutete man Lebensmittel als mögliche Expositionsquelle. Anschließende Studien konnten dies bestätigen und zeigten, dass Acrylamid beim Erhitzen von Lebensmitteln vor allem bei hohen Temperaturen im Verlauf der Maillard-Reaktion gebildet werden kann. Die World Health Organisation (WHO) beziffert die weltweite durchschnittliche Exposition mit Acrylamid über Lebensmittel auf 1-4 µg Acrylamid/kg Körpergewicht (KG) und Tag. Acrylamid zeigte in verschiedenen Studien neurotoxische, entwicklungs- und reproduktionstoxische, genotoxische und kanzerogene Wirkungen. Acrylamid wurde im Jahre 1994 von der International Agency for Research on Cancer (IARC) in die Gruppe 2A als Stoff eingestuft, der wahrscheinlich krebserzeugend beim Menschen ist.
Acrylamid wird im Organismus zum genotoxischen Metaboliten Glycidamid gegiftet. Glycidamid bildet DNA-Addukte vor allem mit dem N7 des Guanins. Glycidamid-DNA-Addukte konnten im Tierversuch an Nagern nach Verabreichung hoher Mengen Acrylamid in allen untersuchten Organen gefunden werden. Als Hauptweg der Entgiftung von Acrylamid und Glycidamid gilt die Bindung an Glutathion (GSH) und der Abbau und die Ausscheidung als Mercaptursäure (MA) in Urin. Aufgrund des oxidativen Metabolismus von Acrylamid hängt die biologische Wirkung wesentlich vom Gleichgewicht der giftenden und entgiftenden Metabolismuswege in der Leber ab.
Acrolein wird seit 1940 kommerziell zur Herstellung von Acrylsäure, dem Ausgangsprodukt für Acrylatpolymere industriell produziert. Außerdem kann Acrolein aus Aminosäuren, Fetten oder Kohlenhydraten während des Erhitzens von Lebensmitteln gebildet werden. Während der Zubereitung von kohlenhydratreichen Lebensmitteln kann Acrolein wie auch Acrylamid im Verlauf der Maillard-Reaktion entstehen. Acrolein ist als einfachster alpha,beta-ungesättigter Aldehyd hochreaktiv gegenüber Nukleophilen wie z.B. Thiol- oder Aminogruppen unter Ausbildung von Michael-Addukten. Die hohe Reaktivität und Flüchtigkeit von Acrolein führt dazu, dass derzeit nur wenig zuverlässige Daten zu Acrolein-Gehalten speziell in kohlenhydratreichen Lebensmitteln vorliegen; sofern Daten zu Gehalten vorhanden sind, bewegen sich diese im niedrigen µg/kg-Bereich. Zudem ist bisher ungeklärt, in welchem Ausmaß Acrolein zur humanen Gesamtexposition gegenüber hitzeinduzierten Schadstoffen neben Acrylamid in Lebensmitteln beiträgt. Die derzeitige Datenlage lässt eine eindeutige Risikobewertung nicht zu. Eine stetige Exposition mit Acrolein gilt als sicher. In verschiedenen Studien konnte gezeigt werden, dass die toxikologischen Effekte von Acrolein im Gegensatz zu Acrylamid insgesamt nicht auf einer erhöhten Tumorinzidenz beruhen. Daher wurde Acrolein von der IARC in Kategorie 3 eingestuft: Es gilt als möglicherweise krebserzeugend beim Menschen, allerdings ist die Datenlage nicht ausreichend, um eine eindeutige Beurteilung vornehmen zu können.
Ziel der vorliegenden Arbeit war es, die Toxikokinetik und -dynamik der beim Erhitzen von Lebensmitteln entstehenden Kontaminanten Acrylamid und Acrolein in vitro und in vivo zu untersuchen. Im Vordergrund stand die Erfassung dosisabhängiger Genotoxizität von Acrylamid sowie der MA als wichtigste Entgiftungsreaktion im Tierversuch im Bereich der derzeitigen Verbraucherexposition. Die Ergebnisse, insbesondere zur Toxikokinetik, sollten durch in vitro Versuche in primären Rattenhepatozyten untermauert werden. Außerdem sollte vergleichend die bisher kaum mithilfe von Biomarkern untersuchte nahrungsbezogene Exposition des Verbrauchers mit Acrylamid und Acrolein bestimmt werden. Eine Dosis-Wirkungsuntersuchung an Sprague Dawley (SD)-Ratten im Dosisbereich von 0,1 bis 10.000 µg/kg KG lieferte erstmals quantitative Informationen zur DNA-Adduktbildung durch den genotoxischen Acrylamid-Metaboliten Glycidamid bis in niedrigste Expositionsbereiche. In diesem Niedrigdosisbereich (0,1 bis 10 µg/kg KG) liegt die nach Einmaldosierung gemessene N7-GA-Gua-Bildung im unteren Bereich der humanen Hintergrundgewebsspiegel für DNA-Läsionen verschiedenen Ursprungs. Dieser Befund könnte die zukünftige Risikobewertung von Expositionen mit solchen genotoxischen Kanzerogenen auf eine neue und der Messung zugängliche Basis stellen. Mit der in dieser Arbeit eingesetzten extrem empfindlichen instrumentellen Analytik sind erstmals Messungen von genotoxischen Ereignissen bis in den Bereich der Verbraucherexposition möglich geworden. Es bleibt allerdings zu beachten, das Genotoxizität zwar eine notwendige, aber nicht hinreichende Bedingung für Mutagenität und maligne Transformation ist. Die auf ein genotoxisches Ereignis folgende biologische Antwort, muss jedoch in die Risikobewertung mit einbezogen werden.
In primären Rattenhepatozyten ließ sich bei Inkubation mit Acrylamid zeigen, dass GSH-Addukte deutlich früher bei niedrigeren Acrylamidkonzentrationen nachweisbar sind als Glycidamid und N7-GA-Gua-Addukte. Der direkte Vergleich der Bildung von Glycidamid mit jener der AA-GSH-Addukte ließ schließen, dass die Entgiftung von Acrylamid in primären Rattenhepatozyten bis zu dreifach schneller verläuft als die Giftung. Zusätzlich ließ sich erstmals zeigen, dass primäre Rattenhepatozyten neben der Kopplung von Xenobiotika an GSH, zumindest auch in kleinen Anteilen zur Umwandlung in die entsprechenden MA fähig sind.
Um das von Acrolein ausgehende Gefährdungspotential zu untersuchen, wurde dessen DNA-Adduktbildung in vitro untersucht. Als Biomarker für die Bildung eines Haupt-DNA-Adduktes wurde fünffach 15N-markiertes Hydroxypropanodeoxyguanosin (OH-[15N5]-PdG) synthetisiert und charakterisiert. DNA Inkubationsversuche mit Acrolein zeigten eine konzentrations- und zeitabhängige Bildung der OH-PdG-Addukte. Acrolein reagierte nur wenig langsamer als Glycidamid zu diesen Addukten.
Zur Untersuchung der Toxikokinetik von Acrylamid und Acrolein in vivo nach Aufnahme von hoch belasteten bzw. kommerziell erhältlichen Kartoffelchips wurden die Ergebnisse aus zwei Humanstudien durchgeführt und ausgewertet. Die Ausscheidungskinetiken Acrolein-assoziierter MA im Menschen korrelierten eindeutig mit der Aufnahme von Kartoffelchips. Der Vergleich der im Urin ausgeschiedenen Mengen an Acrolein- bzw. Acrylamid-assoziierten MA ließ auf eine wesentlich höhere nahrungsbezogene Exposition mit Acrolein (4- bis 12-fach) verglichen mit Acrylamid schließen. Analytische Messungen der Acroleingehalte in den Lebensmitteln hatten aber nur eine Kontamination ergeben, die nur einen geringen Anteil der expositionsbedingt im Urin erfassten MA-Mengen erklären kann. Ob Acrolein an der Lebensmittelmatrix in einer Weise gebunden vorliegt, dass es sich der analytischen Erfassung durch die zur Verfügung stehenden Verfahren wie Headspace-GC/MS entzieht und erst nach Aufnahme in den Organismus freigesetzt wird, wird Gegenstand künftiger Untersuchungen. Zusätzlich liefern die Ergebnisse beider Humanstudien starke Hinweise auf eine endogene Bildung von Acrolein, da auch in den Wash-out Phasen ein relativ hoher Anteil an Acrolein-assoziierten MA erfasst wurde. Zukünftige Untersuchungen sollten die endogene Exposition und die Bildungsmechanismen von Acrolein und anderen Alkenalen aus verschiedenen physiologischen Quellen genauer untersuchen, und in Beziehung setzen zur exogenen, ernährungsbezogenen Exposition. Ebenso sollten künftig verstärkt die Auswirkungen kombinierter Exposition durch solche erhitzungsbedingt gebildeten Stoffe untersucht werden.
At present the standardization of third generation (3G) mobile radio systems is the subject of worldwide research activities. These systems will cope with the market demand for high data rate services and the system requirement for exibility concerning the offered services and the transmission qualities. However, there will be de ciencies with respect to high capacity, if 3G mobile radio systems exclusively use single antennas. Very promising technique developed for increasing the capacity of 3G mobile radio systems the application is adaptive antennas. In this thesis, the benefits of using adaptive antennas are investigated for 3G mobile radio systems based on Time Division CDMA (TD-CDMA), which forms part of the European 3G mobile radio air interface standard adopted by the ETSI, and is intensively studied within the standardization activities towards a worldwide 3G air interface standard directed by the 3GPP (3rd Generation Partnership Project). One of the most important issues related to adaptive antennas is the analysis of the benefits of using adaptive antennas compared to single antennas. In this thesis, these bene ts are explained theoretically and illustrated by computer simulation results for both data detection, which is performed according to the joint detection principle, and channel estimation, which is applied according to the Steiner estimator, in the TD-CDMA uplink. The theoretical explanations are based on well-known solved mathematical problems. The simulation results illustrating the benefits of adaptive antennas are produced by employing a novel simulation concept, which offers a considerable reduction of the simulation time and complexity, as well as increased exibility concerning the use of different system parameters, compared to the existing simulation concepts for TD-CDMA. Furthermore, three novel techniques are presented which can be used in systems with adaptive antennas for additionally improving the system performance compared to single antennas. These techniques concern the problems of code-channel mismatch, of user separation in the spatial domain, and of intercell interference, which, as it is shown in the thesis, play a critical role on the performance of TD-CDMA with adaptive antennas. Finally, a novel approach for illustrating the performance differences between the uplink and downlink of TD-CDMA based mobile radio systems in a straightforward manner is presented. Since a cellular mobile radio system with adaptive antennas is considered, the ultimate goal is the investigation of the overall system efficiency rather than the efficiency of a single link. In this thesis, the efficiency of TD-CDMA is evaluated through its spectrum efficiency and capacity, which are two closely related performance measures for cellular mobile radio systems. Compared to the use of single antennas, the use of adaptive antennas allows impressive improvements of both spectrum efficiency and capacity. Depending on the mobile radio channel model and the user velocity, improvement factors range from six to 10.7 for the spectrum efficiency, and from 6.7 to 12.6 for the spectrum capacity of TD-CDMA. Thus, adaptive antennas constitute a promising technique for capacity increase of future mobile communications systems.
Adaptive Extraction and Representation of Geometric Structures from Unorganized 3D Point Sets
(2009)
The primary emphasis of this thesis concerns the extraction and representation of intrinsic properties of three-dimensional (3D) unorganized point clouds. The points establishing a point cloud as it mainly emerges from LiDaR (Light Detection and Ranging) scan devices or by reconstruction from two-dimensional (2D) image series represent discrete samples of real world objects. Depending on the type of scenery the data is generated from the resulting point cloud may exhibit a variety of different structures. Especially, in the case of environmental LiDaR scans the complexity of the corresponding point clouds is relatively high. Hence, finding new techniques allowing the efficient extraction and representation of the underlying structural entities becomes an important research issue of recent interest. This thesis introduces new methods regarding the extraction and visualization of structural features like surfaces and curves (e.g. ridge-lines, creases) from 3D (environmental) point clouds. One main part concerns the extraction of curve-like features from environmental point data sets. It provides a new method supporting a stable feature extraction by incorporating a probability-based point classification scheme that characterizes individual points regarding their affiliation to surface-, curve- and volume-like structures. Another part is concerned with the surface reconstruction from (environmental) point clouds exhibiting objects that are more or less complex. A new method providing multi-resolutional surface representations from regular point clouds is discussed. Following the applied principles of this approach a volumetric surface reconstruction method based on the proposed classification scheme is introduced. It allows the reconstruction of surfaces from highly unstructured and noisy point data sets. Furthermore, contributions in the field of reconstructing 3D point clouds from 2D image series are provided. In addition, a discussion concerning the most important properties of (environmental) point clouds with respect to feature extraction is presented.
Real-time systems are systems that have to react correctly to stimuli from the environment within given timing constraints.
Today, real-time systems are employed everywhere in industry, not only in safety-critical systems but also in, e.g., communication, entertainment, and multimedia systems.
With the advent of multicore platforms, new challenges on the efficient exploitation of real-time systems have arisen:
First, there is the need for effective scheduling algorithms that feature low overheads to improve the use of the computational resources of real-time systems.
The goal of these algorithms is to ensure timely execution of tasks, i.e., to provide runtime guarantees.
Additionally, many systems require their scheduling algorithm to flexibly react to unforeseen events.
Second, the inherent parallelism of multicore systems leads to contention for shared hardware resources and complicates system analysis.
At any time, multiple applications run with varying resource requirements and compete for the scarce resources of the system.
As a result, there is a need for an adaptive resource management.
Achieving and implementing an effective and efficient resource management is a challenging task.
The main goal of resource management is to guarantee a minimum resource availability to real-time applications.
A further goal is to fulfill global optimization objectives, e.g., maximization of the global system performance, or the user perceived quality of service.
In this thesis, we derive methods based on the slot shifting algorithm.
Slot shifting provides flexible scheduling of time-constrained applications and can react to unforeseen events in time-triggered systems.
For this reason, we aim at designing slot shifting based algorithms targeted for multicore systems to tackle the aforementioned challenges.
The main contribution of this thesis is to present two global slot shifting algorithms targeted for multicore systems.
Additionally, we extend slot shifting algorithms to improve their runtime behavior, or to handle non-preemptive firm aperiodic tasks.
In a variety of experiments, the effectiveness and efficiency of the algorithms are evaluated and confirmed.
Finally, the thesis presents an implementation of a slot-shifting-based logic into a resource management framework for multicore systems.
Thus, the thesis closes the circle and successfully bridges the gap between real-time scheduling theory and real-world implementations.
We prove applicability of the slot shifting algorithm to effectively and efficiently perform adaptive resource management on multicore systems.
Adaptive Strukturoptimierung von Faserkunststoffverbunden unter Berücksichtigung bionischer Aspekte
(2006)
Es finden immer häufiger Faserverbundmaterialien in Strukturbauteilen Anwendung,
da bei konventionellen Materialien die Zielkriterien, wie definierte Festigkeit, Steifigkeit,
etc. nicht mehr bzw. nicht mit hinreichend geringem Bauteilgewicht erreicht werden
können. Angesichts der hohen Kosten ist es verständlich, dass Faserkunststoffverbunde
(FKV) vorzugsweise in den Bereichen eingesetzt werden, wo die eingangs
erwähnten Optimierungsziele hohe Priorität haben. Besonders hervorzuheben ist
hierbei die Luft- und Raumfahrt. Zunehmende Bedeutung gewinnt der Einsatz von
Faserverbundwerkstoffen aber auch in der Automobil- bzw. Maschinenbauindustrie.
Mit fortschreitender Verbesserung der Optimierungsmethoden sowie der Fertigungstechnologien
und der damit verbundenen Kostenreduktion, werden heute bereits
komplexe Module hergestellt. Das zieht wiederum eine lastgerechte und werkstoffspezifische
Konstruktion nach sich. Gegenstand der Arbeit ist die Entwicklung eines
Topologieoptimierungswerkzeuges zur werkstoffgerechten Auslegung von FKVStrukturen.
Ziel ist, FKV - eine Klasse von Hochleistungswerkstoffen, deren Potenzial
sich nur mit geeigneten Modellen zur Nutzung ihrer anisotropen Eigenschaften ausschöpfen
lässt - unter Berücksichtigung der technischen Realisierbarkeit zu optimieren.
Dabei werden natürliche Wachstumsprinzipien in einen iterativen Prozess überführt.
Als Ziel dieses Algorithmus kann entweder eine gezielte Steifigkeit oder eine
gewichtsoptimale Lösung bei hinreichender Festigkeit mit möglichst gleichmäßiger
Spannungsverteilung im Bauteil definiert werden. Erreicht wird dies durch eine effektive
Lastverteilung von hoch belasteten auf geringer belastete Bereiche und somit
auch die Optimierung der Materialverteilung. In diesem Designvorschlag wird die
Grundorientierung der Basisschicht, die kraftflussgerechte Orientierung der Laminateinzellagen
sowie die Topologie von Zulagenschichten bzw. des Gesamtlaminates
optimiert. Besonders interessant ist die adaptive Strukturoptimierung von FKVStrukturen
bei lokalen Zulagen an hoch belasteten Krafteinleitungsstellen bzw. allgemein
in Bereichen hoher Spannungen. Wie weiterhin gezeigt wird, ist die entwickelte
adaptive Topologie- und Faserwinkeloptimierung in Kombination aus technologischer,werkstoffmechanischer sowie wirtschaftlicher Sicht vorteilhaft und kann
problemlos in der Praxis angewandt werden.
More and more fibre-reinforced composite materials are being used in structural building
components because with conventional materials, the target criteria, such as
defined strength, rigidity etc. can no longer be achieved with a sufficiently low weight
of the structural components, if at all. In view of the high costs, it is understandable
that fibre-reinforced plastic composites tend to be used in technical areas where the
optimization goals mentioned above have a high priority. The aviation and aerospace
industry deserves special mention here. The use of fibre composite materials is also
gaining significance in the automotive and mechanical engineering industry. Thanks
to increasing improvements in optimization methods and manufacturing technologies
and the reduction in costs that this brings with it, complex modules are being produced
even today. This in turn ensures specific-material construction with the necessary
load-bearing properties. The objective of the presentation is the development of
a topology optimization tool for designing Fibre-plastic-composite (FPC)-structures
which is appropriate for each material involved. The objective is to optimize FPC – a
class of high-performance materials the potential of which can only be exploited with
suitable models for the utilization of their anisotropic properties – under consideration
of their capability for technical realization. In doing so, natural growth principles are
implemented into an iterative process, thereby enabling computer simulation. The
main goal of this algorithm is maximum rigidity with as even a distribution of tension
as possible throughout the component, which is achieved by distributing the load
from high-load to lower load bearing areas, thereby optimizing the material distribution.
The weight optimization of specific components is possible in this way. The basic
orientation of the base layer, the orientation of the individual laminate layers in a
manner appropriate to the power flux, as well as the topology of bonding layers
and/or the entire laminate are optimized in this design recommendation. Of particular
interest here is the adaptive structural optimization of FPC structures with localized
bonding to high-load bearing load introduction points or generally, in areas with high
stresses. As continues to be shown, the developed adaptive topology and fibre angle optimization is beneficial from a technological, material-mechanical and economical
point of view, and can be applied in everyday practice without any problems.
Additive Fertigungsverfahren zeichnen sich durch eine hohe erreichbare Komplexität der zu erzeugenden Geometrien, bei gleichzeitig kaum steigendem Fertigungsaufwand, aus. Dies wird durch den schichtweisen Aufbau additiver Fertigungsverfahren erreicht, bei dem die zu fertigende Geometrie zunächst in einzelne Bauteilquerschnitte aufgeteilt und anschließend durch Fügen dieser Querschnitte aufgebaut wird. Ein etabliertes additives Fertigungsverfahren ist das selektive Laserschmelzen, bei dem die zu erzeugende Geometrie durch Aufschmelzen von Metallpulver mittels eines Lasers in einem Pulverbett erzeugt wird. Die durch selektives Laserschmelzen generierten Oberflächen müssen zur Erzeugung von Funktionsflächen spanend endbearbeitet werden, wobei die charakteristische Anisotropie additiv erzeugter Werkstoffe berücksichtigt werden muss. Diese Arbeit beschäftigt sich mit den Wirkmechanismen additiv-subtraktiver Prozessketten bei der spanenden Bearbeitung von Edelstahl 1.4404, wobei zunächst beide Prozesskettenteile getrennt voneinander analysiert werden. Es werden unterschiedliche Wirkzusammenhänge der Prozessparameter der additiven Fertigung und Pulvereigenschaften auf den erzeugten Werkstoff identifizert. Weiter werden durch den Einsatz des Mikrofräsens als Bearbeitungsverfahren (Werkzeugdurchmesser < 50 µm) Wechselwirkungen zwischen anisotropem Werkstoff sowie Prozess- und Prozessergebnisgrößen der spanenden Bearbeitung besonders deutlich. Die Untersuchungen ergaben, dass prozesskettenübergreifende Wirkmechanismen zwischen additiven und subtraktiven Prozesskettenteilen beim selektiven Laserschmelzen und Mikrofräsen von Edelstahl 1.4404 bestehen.
Additive 3D-Drucksverfahren ermöglichen eine automatisierte wie flexible Fertigung
komplexer 3D-Geometrien direkt aus einem CAD-Modell ohne die Notwendigkeit ei
nes bauteilspezifischen Werkzeugs. Nachteil vor allem beim 3D-Drucken von Kunst
stoffen sind jedoch die geringen mechanischen Eigenschaften, die auf verfahrensbe
dingte Herausforderungen, aber auch auf eine eingeschränkte Auswahl verarbeitba
rer Materialien zurückzuführen sind. Eine Möglichkeit die mechanischen Eigenschaf
ten von Kunststoffen zu verbessern, ist die Kombination mit Verstärkungsfasern. Die
höchste Verstärkungswirkung entfalten Faser-Kunststoff-Verbunde (FKV) wenn die
Fasern kontinuierlich und in Lastrichtung vorliegen. Um ihr volles Potential zu entfal
ten, müssen FKV daher möglichst gut an die jeweiligen Anwendungen angepasst
werden. Das erschwert eine automatisierte und effiziente Fertigung, gerade von
komplexeren Strukturen. Ziel der Arbeit war daher die Entwicklung eines 3D
Verfahrens für kontinuierlich faserverstärkte Kunststoffe. Hierdurch soll das Anwen
dungsspektrum kunststoffbasierter 3D-Druck-Verfahren vergrößert und gleichzeitig
eine effiziente sowie flexible Fertigung komplexer FKV-Strukturen ermöglicht werden.
Das entwickelte Prozesskonzept basiert dabei auf 3D-Druck-Extrusionsverfahren für
thermoplastische Kunststoffe. Im sogenannten Fiber Integrated Fused Deposition
Modeling Prozess, kurz FIFDM, werden bereits imprägnierte Halbzeuge in Form von
kontinuierlich faserverstärkten Thermoplaststrängen (FTS) verarbeitet. Um die Fa
serorientierung frei einstellen zu können, werden die Stränge nicht wie herkömmlich
nur schichtweise, sondern frei in alle Raumrichtungen positioniert. Realisiert wird dies
über die Steuerung der FTS-Temperatur nach der Extrusion. Im Rahmen dieser Ar
beit wurde zur Quantifizierung und zum einfachen Vergleich der Halbzeugqualität ein
Qualitätsanalyseverfahren entwickelt und damit ein geeigneter FTS für weitere Pro
zessuntersuchungen ausgewählt. Zudem wurde eine FIFDM-Prototypenanlage ent
wickelt und aufgebaut. Mithilfe der thermischen Simulation des Extrusions- und Ab
kühlprozesses konnten thermische Prozessgrenzen auch für die 3D-Ablage im Raum
definiert werden. In einer umfassenden experimentellen Prozessanalyse wurde zu
dem untersucht, welche Prozessparameter einen Einfluss auf verschiedene Zielgrö
ßen der Prozessstabilität und Bauteilqualität besitzen. Ausgehend von den Erkennt
nissen aus dieser Arbeit wurden eine erste Einschätzung des Prozesspotentials vor
genommen und Vorschläge zur Prozessoptimierung formuliert.
3D printing enables automated and flexible production of complex 3D geometries
directly from a CAD model without the need for a component-specific tool. However,
the disadvantage, especially in the Additive Manufacturing (AM) of polymers, is the
low mechanical properties, which can be attributed to process-related challenges and
to a limited selection of processable materials. One way of improving the mechanical
properties of polymers is to combine them with reinforcing fibers. The highest rein
forcing effect for Fiber Reinforced Polymer Composites (FRPC) is achieved when the
fibers are continuously present in load direction. In order to develop their full poten
tial, FRPC must therefore be adapted as well as possible to the respective applica
tion. This complicates automated and efficient production, especially of more com
plex structures. The aim of the work was therefore to develop an AM process for con
tinuously fiber-reinforced polymers. This should increase the range of applications for
polymer-based AM processes and at the same time enable efficient and flexible pro
duction of complex FRPC structures. The developed process concept is based on 3D
printing extrusion processes for thermoplastics. In the so-called Fiber Integrated
Fused Deposition Modeling Process (FIFDM) already impregnated semi-finished
products are processed in the form of continuously fiber-reinforced thermoplastic
strands (FTS). In order to be able to freely adjust the fiber orientation, the strands can
be positioned in all spatial directions, not just layer by layer as is the case with con
ventional AM systems. This is realized by controlling the FTS temperature after ex
trusion. As part of this work, a quality analysis method was developed for quantifying
and comparing the semi-finished product quality and a suitable FTS was thus select
ed for further process investigations. In addition, a FIFDM prototype unit was devel
oped and set up. With the help of thermal simulation of the extrusion and cooling
process, thermal process limits could also be defined for the 3D placement in all spa
tial directions. In a comprehensive experimental process analysis, it was investigated
which process parameters have an influence on different target parameters of pro
cess stability and component quality. Based on the results of this work, an initial as
sessment of the process potential was made and proposals for process optimization
were formulated.
Adjoint-Based Shape Optimization and Optimal Control with Applications to Microchannel Systems
(2021)
Optimization problems constrained by partial differential equations (PDEs) play an important role in many areas of science and engineering. They often arise in the optimization of technological applications, where the underlying physical effects are modeled by PDEs. This thesis investigates such problems in the context of shape optimization and optimal control with microchannel systems as novel applications. Such systems are used, e.g., as cooling systems, heat exchangers, or chemical reactors as their high surface-to-volume ratio, which results in beneficial heat and mass transfer characteristics, allows them to excel in these settings. Additionally, this thesis considers general PDE constrained optimization problems with particular regard to their efficient solution.
As our first application, we study a shape optimization problem for a microchannel cooling system: We rigorously analyze this problem, prove its shape differentiability, and calculate the corresponding shape derivative. Afterwards, we consider the numerical optimization of the cooling system for which we employ a hierarchy of reduced models derived via porous medium modeling and a dimension reduction technique. A comparison of the models in this context shows that the reduced models approximate the original one very accurately while requiring substantially less computational resources.
Our second application is the optimization of a chemical microchannel reactor for the Sabatier process using techniques from PDE constrained optimal control. To treat this problem, we introduce two models for the reactor and solve a parameter identification problem to determine the necessary kinetic reaction parameters for our models. Thereafter, we consider the optimization of the reactor's operating conditions with the objective of improving its product yield, which shows considerable potential for enhancing the design of the reactor.
To provide efficient solution techniques for general shape optimization problems, we introduce novel nonlinear conjugate gradient methods for PDE constrained shape optimization and analyze their performance on several well-established benchmark problems. Our results show that the proposed methods perform very well, making them efficient and appealing gradient-based shape optimization algorithms.
Finally, we continue recent software-based developments for PDE constrained optimization and present our novel open-source software package cashocs. Our software implements and automates the adjoint approach and, thus, facilitates the solution of general PDE constrained shape optimization and optimal control problems. Particularly, we highlight our software's user-friendly interface, straightforward applicability, and mesh independent behavior.
Die vorliegende Arbeit beschreibt die Trennung von kurzkettigen Alkan/Alken-Gemischen an nanostrukturierten porösen Adsorbentien. Zu diesem Zweck wurden unterschiedliche metallorganische Koordinationspolymere und Zeolithe synthetisiert und charakterisiert. Zur Untersuchung des Adsorptionsverhaltens dieser Adsorbentien wurden Adsorptionsisothermen von C2-, C3- und C4-Kohlenwasserstoffen bei verschiedenen Temperaturen gemessen. Die Messung der Adsorption der reinen Kohlenwasserstoffe ergab, dass die adsorbierte Stoffmenge mit der spezifischen Oberfläche des Adsorbens korreliert, sowie von der kritischen Temperatur des Adsorptivs abhängt und in der Reihenfolge C2 < C3 < C4 zunimmt. Eine Ausnahme hiervon bilden flexible metallorganische Koordinationspolymere, welche Atmungs- bzw. Porenöffnungseffekte zeigen. Die Isothermen dieser Materialien weisen Sprünge auf, wobei diese jedoch abhängig vom Druck, vom Adsorptiv und von der Temperatur sind. Die Trennung von Alkan/Alken-Gemischen an den hergestellten Adsorbentien wurde in einem kontinuierlich durchströmten Festbettadsorber untersucht. Es zeigten sich unterschiedliche Trennfaktoren in Abhängigkeit von der Porenöffnung und der Gerüststruktur der Adsorbentien. Die Untersuchung der Desorption der Kohlenwasserstoffe von Cu\(_3\)(btc)\(_2\) ergab, dass der Desorptionsprozess bei Raumtemperatur nur sehr langsam verläuft. Es zeigte sich, dass die zur Desorption erforderliche Temperatur nimmt steigender Kohlenstoffzahl des Kohlenwasserstoffs zunimmt.
In recent years the field of polymer tribology experienced a tremendous development
leading to an increased demand for highly sophisticated in-situ measurement methods.
Therefore, advanced measurement techniques were developed and established
in this study. Innovative approaches based on dynamic thermocouple, resistive electrical
conductivity, and confocal distance measurement methods were developed in
order to in-situ characterize both the temperature at sliding interfaces and real contact
area, and furthermore the thickness of transfer films. Although dynamic thermocouple
and real contact area measurement techniques were already used in similar
applications for metallic sliding pairs, comprehensive modifications were necessary to
meet the specific demands and characteristics of polymers and composites since
they have significantly different thermal conductivities and contact kinematics. By using
tribologically optimized PEEK compounds as reference a new measurement and
calculation model for the dynamic thermocouple method was set up. This method
allows the determination of hot spot temperatures for PEEK compounds, and it was
found that they can reach up to 1000 °C in case of short carbon fibers present in the
polymer. With regard to the non-isotropic characteristics of the polymer compound,
the contact situation between short carbon fibers and steel counterbody could be
successfully monitored by applying a resistive measurement method for the real contact
area determination. Temperature compensation approaches were investigated
for the transfer film layer thickness determination, resulting in in-situ measurements
with a resolution of ~0.1 μm. In addition to a successful implementation of the measurement
systems, failure mechanism processes were clarified for the PEEK compound
used. For the first time in polymer tribology the behavior of the most interesting
system parameters could be monitored simultaneously under increasing load
conditions. It showed an increasing friction coefficient, wear rate, transfer film layer
thickness, and specimen overall temperature when frictional energy exceeded the
thermal transport capabilities of the specimen. In contrast, the real contact area between
short carbon fibers and steel decreased due to the separation effect caused by
the transfer film layer. Since the sliding contact was more and more matrix dominated,
the hot spot temperatures on the fibers dropped, too. The results of this failure
mechanism investigation already demonstrate the opportunities which the new
measurement techniques provide for a deeper understanding of tribological processes,
enabling improvements in material composition and application design.
If gradient based derivative algorithms are used to improve industrial products by reducing their target functions, the derivatives need to be exact.
The last percent of possible improvement, like the efficiency of a turbine, can only be gained if the derivatives are consistent with the solution process that is used in the simulation software.
It is problematic that the development of the simulation software is an ongoing process which leads to the use of approximated derivatives.
If a derivative computation is implemented manually, it will be inconsistent after some time if it is not updated.
This thesis presents a generalized approach which differentiates the whole simulation software with Algorithmic Differentiation (AD), and guarantees a correct and consistent derivative computation after each change to the software.
For this purpose, the variable tagging technique is developed.
The technique checks at run-time if all dependencies, which are used by the derivative algorithms, are correct.
Since it is also necessary to check the correctness of the implementation, a theorem is developed which describes how AD derivatives can be compared.
This theorem is used to develop further methods that can detect and correct errors.
All methods are designed such that they can be applied in real world applications and are used within industrial configurations.
The process described above yields consistent and correct derivatives but the efficiency can still be improved.
This is done by deriving new derivative algorithms.
A fixed-point iterator approach, with a consistent derivation, yields all state of the art algorithms and produces two new algorithms.
These two new algorithms include all implementation details and therefore they produce consistent derivative results.
For detecting hot spots in the application, the state of the art techniques are presented and extended.
The data management is changed such that the performance of the software is affected only marginally when quantities, like the number of input and output variables or the memory consumption, are computed for the detection.
The hot spots can be treated with techniques like checkpointing or preaccumulation.
How these techniques change the time and memory consumption is analyzed and it is shown how they need to be used in selected AD tools.
As a last step, the used AD tools are analyzed in more detail.
The major implementation strategies for operator overloading AD tools are presented and implementation improvements for existing AD tools are discussed.
The discussion focuses on a minimal memory consumption and makes it possible to compare AD tools on a theoretical level.
The new AD tool CoDiPack is based on these findings and its design and concepts are presented.
The improvements and findings in this thesis make it possible, that an automatic, consistent and correct derivative is generated in an efficient way for industrial applications.
Automated theorem proving is a search problem and, by its undecidability, a very difficult one. The challenge in the development of a practically successful prover is the mapping of the extensively developed theory into a program that runs efficiently on a computer. Starting from a level-based system model for automated theorem provers, in this work we present different techniques that are important for the development of powerful equational theorem provers. The contributions can be divided into three areas: Architecture. We present a novel prover architecture that is based on a set-based compression scheme. With moderate additional computational costs we achieve a substantial reduction of the memory requirements. Further wins are architectural clarity, the easy provision of proof objects, and a new way to parallelize a prover which shows respectable speed-ups in practice. The compact representation paves the way to new applications of automated equational provers in the area of verification systems. Algorithms. To improve the speed of a prover we need efficient solutions for the most time-consuming sub-tasks. We demonstrate improvements of several orders of magnitude for two of the most widely used term orderings, LPO and KBO. Other important contributions are a novel generic unsatisfiability test for ordering constraints and, based on that, a sufficient ground reducibility criterion with an excellent cost-benefit ratio. Redundancy avoidance. The notion of redundancy is of central importance to justify simplifying inferences which are used to prune the search space. In our experience with unfailing completion, the usual notion of redundancy is not strong enough. In the presence of associativity and commutativity, the provers often get stuck enumerating equations that are permutations of each other. By extending and refining the proof ordering, many more equations can be shown redundant. Furthermore, our refinement of the unfailing completion approach allows us to use redundant equations for simplification without the need to consider them for generating inferences. We describe the efficient implementation of several redundancy criteria and experimentally investigate their influence on the proof search. The combination of these techniques results in a considerable improvement of the practical performance of a prover, which we demonstrate with extensive experiments for the automated theorem prover Waldmeister. The progress achieved allows the prover to solve problems that were previously out of reach. This considerably enhances the potential of the prover and opens up the way for new applications.
Stochastic Network Calculus (SNC) emerged from two branches in the late 90s:
the theory of effective bandwidths and its predecessor the Deterministic Network
Calculus (DNC). As such SNC’s goal is to analyze queueing networks and support
their design and control.
In contrast to queueing theory, which strives for similar goals, SNC uses in-
equalities to circumvent complex situations, such as stochastic dependencies or
non-Poisson arrivals. Leaving the objective to compute exact distributions behind,
SNC derives stochastic performance bounds. Such a bound would, for example,
guarantee a system’s maximal queue length that is violated by a known small prob-
ability only.
This work includes several contributions towards the theory of SNC. They are
sorted into four main contributions:
(1) The first chapters give a self-contained introduction to deterministic net-
work calculus and its two branches of stochastic extensions. The focus lies on the
notion of network operations. They allow to derive the performance bounds and
simplifying complex scenarios.
(2) The author created the first open-source tool to automate the steps of cal-
culating and optimizing MGF-based performance bounds. The tool automatically
calculates end-to-end performance bounds, via a symbolic approach. In a second
step, this solution is numerically optimized. A modular design allows the user to
implement their own functions, like traffic models or analysis methods.
(3) The problem of the initial modeling step is addressed with the development
of a statistical network calculus. In many applications the properties of included
elements are mostly unknown. To that end, assumptions about the underlying
processes are made and backed by measurement-based statistical methods. This
thesis presents a way to integrate possible modeling errors into the bounds of SNC.
As a byproduct a dynamic view on the system is obtained that allows SNC to adapt
to non-stationarities.
(4) Probabilistic bounds are fundamentally different from deterministic bounds:
While deterministic bounds hold for all times of the analyzed system, this is not
true for probabilistic bounds. Stochastic bounds, although still valid for every time
t, only hold for one time instance at once. Sample path bounds are only achieved by
using Boole’s inequality. This thesis presents an alternative method, by adapting
the theory of extreme values.
(5) A long standing problem of SNC is the construction of stochastic bounds
for a window flow controller. The corresponding problem for DNC had been solved
over a decade ago, but remained an open problem for SNC. This thesis presents
two methods for a successful application of SNC to the window flow controller.