Fachbereich Ingenieurwissenschaften und Kommunikation
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Nur maximal ein Fünftel aller Menschen in Deutschland, die Maschinen entwickeln, technische Innovationen vorantreiben, optimieren oder reparieren, sind weiblich. Der Anteil von Frauen in technischen Berufen liegt derzeit bei etwa 20 Prozent (1). Vergleichbar niedrig ist auch die Zahl der Journalistinnen, die sich technischen Themen verschrieben haben. Technik und auch der Technikjournalismus sind hierzulande immer noch Männerdomänen.
The design of a fully superconducting wind power generator is influenced by several factors. Among them, a low number of pole pairs is desirable to achieve low AC losses in the superconducting stator winding, which greatly influences the cooling system design and, consecutively, the efficiency of the entire wind power plant. However, it has been identified that a low number of pole pairs in a superconducting generator tends to greatly increase its output voltage, which in turn creates challenging conditions for the necessary power electronic converter. This study highlights the interdependencies between the design of a fully superconducting 10 MW wind power generator and the corresponding design of its power electronic converter.
Comparing Armature Windings for a 10 MW Fully Superconducting Synchronous Wind Turbine Generator
(2022)
Transition point prediction in a multicomponent lattice Boltzmann model: Forcing scheme dependencies
(2018)
Pseudopotential (PP)-basierte Lattice-Boltzmann-Methoden werden zunehmend für die Simulation von Mehrphasenströmungen eingesetzt. Da sie auf einem phänomenologischen Ansatz basieren, ist ihr Einsatz mit einem hohen Modellierungsaufwand verbunden. Zudem entstehen an den Phasengrenzen sogenannte Scheingeschwindigkeiten, welche Genauigkeit und numerische Stabilität beeinträchtigen. Daher werden PP-Modelle in dieser Arbeit um drei neue Aspekte erweitert. Erstens wird gezeigt, dass bei der Modellierung unterschiedlicher Kontaktwinkel mit gängigen Methoden in Kombination mit verbesserten Kräfteschemata Scheintröpfchen entstehen. Diese werden durch einen neuartigen Ansatz eliminiert, der auf zusätzlichen Randbedingungen für alle Wechselwirkungskräfte basiert. Diese Technik verhindert nicht nur das Auftreten der Scheintröpfchen, sondern erhöht auch die Stabilität in wandgebundenen Strömungen. Zweitens wird ein neuartiges Verfahren zur Reduktion von Scheingeschwindigkeiten eingeführt. Dabei wird die Diskretisierung der Interaktionskräfte erweitert und die zusätzlichen, freien Koeffizienten in Simulationen statischer Tropfen numerisch optimiert. Die resultierende Diskretisierung wurde in Simulationen stationärer und dynamischer Testfälle validiert, wobei Scheingeschwindigkeiten deutlich reduziert werden konnten. Drittens und letztens wurden die Diffusionseigenschaften in Mehrstoffsystemen detailliert untersucht, wobei eine kritische Abhängigkeit zwischen den makroskopischen Diffusionskoeffizienten und dem Kräfteschema aufgezeigt wird. Diese Analyse bildet die Grundlage für den Vergleich und die zukünftige Entwicklung neuer Potentialfunktionen (für Mehrstoffsysteme) und reduziert den Modellierungsaufwand.
Automated parameterization of intermolecular pair potentials using global optimization techniques
(2014)
In this work, different global optimization techniques are assessed for the automated development of molecular force fields, as used in molecular dynamics and Monte Carlo simulations. The quest of finding suitable force field parameters is treated as a mathematical minimization problem. Intricate problem characteristics such as extremely costly and even abortive simulations, noisy simulation results, and especially multiple local minima naturally lead to the use of sophisticated global optimization algorithms. Five diverse algorithms (pure random search, recursive random search, CMA-ES, differential evolution, and taboo search) are compared to our own tailor-made solution named CoSMoS. CoSMoS is an automated workflow. It models the parameters’ influence on the simulation observables to detect a globally optimal set of parameters. It is shown how and why this approach is superior to other algorithms. Applied to suitable test functions and simulations for phosgene, CoSMoS effectively reduces the number of required simulations and real time for the optimization task.
In dieser Arbeit werden neuartige methodische Erweiterungen der Lattice-Boltzmann-Methode (LBM) entwickelt, die effizientere Simulationen inkompressibler Wirbelströmungen ermöglichen. Diese Erweiterungen beheben zwei Hauptprobleme der Standard-LBM: ihre Instabilität in unteraufgelösten turbulenten Simulationen und ihre Beschränkung auf reguläre Rechengitter. Dazu wird zunächst eine Pseudo-Entropische Stabilisierung (PES) entwickelt. Diese kombiniert Ansätze der Multiple-Relaxation-Time (MRT)-Modelle und der Entropischen LBM zu einem expliziten, lokalen und flexiblen Stabilisierungsoperator. Diese Modifikation des Kollisionsschritts erlaubt selbst auf stark unteraufgelösten Gittern stabile und qualitativ korrekte Simulationen. Zur Erweiterung der LBM auf irreguläre Rechengitter wird zunächst eine moderne Discontinuous-Galerkin-LBM untersucht und um stabilere Zeitintegratoren ergänzt. Diese Studie demonstriert die drastischen Schwächen existierender LBMAnsätze auf irregulären Gittern. Basierend auf den gewonnenen Erkenntnissen gelingt die Formulierung einer neuartigen Semi-Lagrangeschen LBM (SLLBM). Diese ermöglicht in einzigartigerWeise sowohl die Verwendung irregulärer Gitter und großer Zeitschritte als auch eine hohe räumliche Konvergenzordnung. Anhand von Beispielsimulationen wird demonstriert, wieso dieser Ansatz anderen aktuellen Off-Lattice-Boltzmann-Methoden (OLBMs) in Effizienz und Genauigkeit überlegen ist. Weitere neuartige Aspekte dieser Arbeit sind die Entwicklung eines modularen Off-Lattice-Boltzmann-Codes und die Erweiterung der LBM um implizite Mehrschrittverfahren, mit denen eine Erhöhung der zeitlichen Konvergenzordnung gelingt.
Differential-Algebraic Equations and Beyond: From Smooth to Nonsmooth Constrained Dynamical Systems
(2018)
The present article presents a summarizing view at differential-algebraic equations (DAEs) and analyzes how new application fields and corresponding mathematical models lead to innovations both in theory and in numerical analysis for this problem class. Recent numerical methods for nonsmooth dynamical systems subject to unilateral contact and friction illustrate the topicality of this development.
The elucidation of conformations and relative potential energies (rPEs) of small molecules has a long history across a diverse range of fields. Periodically, it is helpful to revisit what conformations have been investigated and to provide a consistent theoretical framework for which clear comparisons can be made. In this paper, we compute the minima, first- and second-order saddle points, and torsion-coupled surfaces for methanol, ethanol, propan-2-ol, and propanol using consistent high-level MP2 and CCSD(T) methods. While for certain molecules more rigorous methods were employed, the CCSD(T)/aug-cc-pVTZ//MP2/aug-cc-pV5Z theory level was used throughout to provide relative energies of all minima and first-order saddle points. The rPE surfaces were uniformly computed at the CCSD(T)/aug-cc-pVTZ//MP2/aug-cc-pVTZ level. To the best of our knowledge, this represents the most extensive study for alcohols of this kind, revealing some new aspects. Especially for propanol, we report several new conformations that were previously not investigated. Moreover, two metrics are included in our analysis that quantify how the selected surfaces are similar to one another and hence improve our understanding of the relationship between these alcohols.
In addition to the long-term goal of mitigating climate change, the current geopolitical upheavals heighten the urgency to transform Europe's energy system. This involves expanding renewable energies while managing intermittent electricity generation. Hydrogen is a promising solution to balance generation and demand, simultaneously decarbonizing complex applications. To model the energy system's transformation, the project TransHyDE-Sys, funded by the German Federal Ministry of Education and Research, takes an integrated approach beyond traditional energy system analysis, incorporating a diverse range of more detailed methods and tools. Herein, TransHyDE-Sys is situated within the recent policy discussion. It addresses the requirements for energy system modeling to gain insights into transforming the European hydrogen and energy infrastructure. It identifies knowledge gaps in the existing literature on hydrogen infrastructure-oriented energy system modeling and presents the research approach of TransHyDE-Sys. TransHyDE-Sys analyzes the development of hydrogen and energy infrastructures from “the system” and “the stakeholder” perspectives. The integrated modeling landscape captures temporal and spatial interactions among hydrogen, electricity, and natural gas infrastructure, providing comprehensive insights for systemic infrastructure planning. This allows a more accurate representation of the energy system's dynamics and aids in decision-making for achieving sustainable and efficient hydrogen network development integration.
This paper proposes an approach to an ANN-based temperature controller design for a plastic injection moulding system. This design approach is applied to the development of a controller based on a combination of a classical ANN and integrator. The controller provides a fast temperature response and zero steady-state error for three typical heaters (bar, nozzle, and cartridge) for a plastic moulding system. The simulation results in Matlab Simulink software and in comparison to an industrial PID regulator have shown the advantages of the controller, such as significantly less overshoot and faster transient (compared to PID with autotuning) for all examined heaters. In order to verify the proposed approach, the designed ANN controller was implemented and tested using an experimental setup based on an STM32 board.
Technik wird in unserer Gesellschaft noch immer mit Männlichkeit assoziiert. Das Bild eines Mannes, der mit einer schweren Bohrmaschine arbeitet, erscheint uns vertrauter als das einer Frau, die dieselbe Tätigkeit ausführt. Derartige Repräsentationen von Technik und Geschlecht werden auch von den Medien verbreitet und könnten so bereits Mädchen und jungen Frauen den Zugang zu Technik erschweren. Digitalisierte Medienwelten bieten allerdings die Möglichkeit, neue Technik-Bilder zu entwerfen und dominante Vorstellungen dadurch zu verschieben. Hier könnten Öffentlichkeiten für Mädchen und Frauen entstehen, die eine Selbstverständigung über technische Interessen und damit einhergehend eine Erfahrung von Kompetenz vermitteln könnten. Anhand von fünf Gruppendiskussionen mit 12- bis 15-jährigen Gymnasiastinnen wurden deren Technikverständnis, deren Nutzung digitaler Medien zu Technikthemen, vor allem aber auch deren Ideen zu einer für sie attraktiven Vermittlung von Technikthemen erfragt. Dabei wurden insbesondere die Vorteile einer symmetrischen Kommunikation im Netz deutlich.
Die allgemeine Konnotation von Technik mit Männlichkeit hat Auswirkungen auf die Berufswahlentscheidungen und das Technikverständnis von jungen Frauen. Nur gut 22 Prozent aller Studierenden in den Ingenieurswissenschaften waren 2014 in Deutschland weiblich (vgl. MonitorING)1. Seit Jahren wird versucht, diese Zahlen nach oben zu korrigieren, indem man Programme für Mädchen und junge Frauen anbietet, die erste Kontakte zu technischen Arbeitsfeldern her stellen. Auch für bereits berufstätige Ingenieurinnen gibt es zahlreiche Förderprogramme, um den Drop-out hochqualiizierter Frauen auf der Karriere leiter zu verhindern. Dennoch verändern sich die prozentualen Anteile von Frauen in ingenieurswissenschaftlichen Studiengängen und Berufen kaum. Aktuelle Studien belegen, dass vor allem kulturell bedingte Erwartungen und Einstellungen hierfür verantwortlich sind (vgl. Paulitz 2012).
Die Kunst, Kunst zu zeigen
(2021)
The proper use of protective hoods on panel saws should reliably prevent severe injuries from (hand) contact with the blade or material kickbacks. It also should minimize long-term lung damages from fine-particle pollution. To achieve both purposes the hood must be adjusted properly by the operator for each workpiece to fit its height. After a work process is finished, the hood must be lowered down completely to the bench. Unfortunately, in practice the protective hood is fixed at a high position for most of the work time and herein loses its safety features. A system for an automatic height adjustment of the hood would increase comfort and safety. If the system can distinguish between workpieces and skin reliably, it furthermore will reduce occupational hazards for panel saw users. A functional demonstrator of such a system has been designed and implemented to show the feasibility of this approach. A specific optical sensor system is used to observe a point on the extended cut axis in front of the blade. The sensor determines the surface material reliably and measures the distance to the workpiece surface simultaneously. If the distance changes because of a workpiece fed to the machine, the control unit will set the motor-adjusted hood to the correct height. If the sensor detects skin, the hood will not be moved. In addition a camera observes the area under the hood. If there are no workpieces or offcuts left under the hood, it will be lowered back to the default position.
The simulation of fluid flows is of importance to many fields of application, especially in industry and infrastructure. The modelling equations applied describe a coupled system of non-linear, hyperbolic partial differential equations given by one-dimensional shallow water equations that enable the consistent implementation of free surface flows in open channels as well as pressurised flows in closed pipes. The numerical realisation of these equations is complicated and challenging to date due to their characteristic properties that are able to cause discontinuous solutions.
Since being introduced in the sixties and seventies, semi-implicit RosenbrockWanner (ROW) methods have become an important tool for the timeintegration of ODE and DAE problems. Over the years, these methods have been further developed in order to save computational effort by regarding approximations with respect to the given Jacobian [5], reduce effects of order reduction by introducing additional conditions [2, 4] or use advantages of partial explicit integration by considering underlying Runge-Kutta formulations [1]. As a consequence, there is a large number of different ROW-type schemes with characteristic properties for solving various problem formulations given in literature today.
Molecular modeling is an important subdomain in the field of computational modeling, regarding both scientific and industrial applications. This is because computer simulations on a molecular level are a virtuous instrument to study the impact of microscopic on macroscopic phenomena. Accurate molecular models are indispensable for such simulations in order to predict physical target observables, like density, pressure, diffusion coefficients or energetic properties, quantitatively over a wide range of temperatures. Thereby, molecular interactions are described mathematically by force fields. The mathematical description includes parameters for both intramolecular and intermolecular interactions. While intramolecular force field parameters can be determined by quantum mechanics, the parameterization of the intermolecular part is often tedious. Recently, an empirical procedure, based on the minimization of a loss function between simulated and experimental physical properties, was published by the authors. Thereby, efficient gradient-based numerical optimization algorithms were used. However, empirical force field optimization is inhibited by the two following central issues appearing in molecular simulations: firstly, they are extremely time-consuming, even on modern and high-performance computer clusters, and secondly, simulation data is affected by statistical noise. The latter provokes the fact that an accurate computation of gradients or Hessians is nearly impossible close to a local or global minimum, mainly because the loss function is flat. Therefore, the question arises of whether to apply a derivative-free method approximating the loss function by an appropriate model function. In this paper, a new Sparse Grid-based Optimization Workflow (SpaGrOW) is presented, which accomplishes this task robustly and, at the same time, keeps the number of time-consuming simulations relatively small. This is achieved by an efficient sampling procedure for the approximation based on sparse grids, which is described in full detail: in order to counteract the fact that sparse grids are fully occupied on their boundaries, a mathematical transformation is applied to generate homogeneous Dirichlet boundary conditions. As the main drawback of sparse grids methods is the assumption that the function to be modeled exhibits certain smoothness properties, it has to be approximated by smooth functions first. Radial basis functions turned out to be very suitable to solve this task. The smoothing procedure and the subsequent interpolation on sparse grids are performed within sufficiently large compact trust regions of the parameter space. It is shown and explained how the combination of the three ingredients leads to a new efficient derivative-free algorithm, which has the additional advantage that it is capable of reducing the overall number of simulations by a factor of about two in comparison to gradient-based optimization methods. At the same time, the robustness with respect to statistical noise is maintained. This assertion is proven by both theoretical considerations and practical evaluations for molecular simulations on chemical example substances.