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Lithium-ion batteries play a vital role in a society more and more affected by the spectre of climate change: hence the need of lowering CO2 emissions and reducing the fossil fuel consumption. At the moment, lithium-ion batteries appear as the ideal candidates for this challenge but further research and development is required to understand their behaviour, predict their issues and therefore improve their performance. In this regard, mathematical modelling and numerical simulation have become standard techniques in lithium-ion battery research and development and have proven to be highly useful in supporting experimental work and increasing the predictability of model-based life expectancy.
This study focuses on the electrochemical ageing reactions at the anode, especially on the topic of lithium plating and its interaction with the solid electrolyte interface (SEI). The purpose of this work is a deeper understanding of these degradation processes through the construction of refined modelling frameworks and the analysis of simulations carried out over a wide range of operating conditions. The governing equations are implemented in the in-house multiphysics software package DENIS, while the electrochemistry model is based on the use of the open-source chemical kinetics code CANTERA.
The development, parameterisation and experimental validation of a comprehensive pseudo-three-dimensional multiphysics model of a commercial lithium-ion cell with blend cathode and graphite anode is presented. This model is able to describe and simulate both multiscale heat and mass transport and complex electrochemical reaction mechanisms, including also as extra feature the capability of reproducing a composite electrode where multiple active materials are subject to intercalation/deintercalation reaction.
A further extension to include reversible lithium plating process and predict ageing behaviour over a wide range of conditions, with a focus on the high currents and low temperatures particularly interesting for the fast charging topic, follows. This extended model is verified by comparison with published experimental data showing voltage plateau and voltage drop as plating indicators and optionally includes an explicit re-intercalation reaction that is shown to suppress macroscopic plating hints in the specific case of a cell not showing evident plating signs. This model is used to create degradation maps over a wide range of conditions and an in-depth spatiotemporal analysis of the anode behaviour at the mesoscopic and microscopic scales, demonstrating the dynamic and nonlinear interaction between the intercalation and plating reactions.
A deeper outlook on the SEI formation and growth is presented, together with the qualitative description of three different 1D-models with a decreasing level of detail, developed with the purpose of ideally being included in future in more comprehensive multiscale frameworks.
Finally, the extended model is successfully coupled with a previously developed SEI model to result in an original modelling framework able to simulate both degradation processes and their continuous positive feedback.
Die vorliegende Arbeit beschäftigt sich mit dem Ermüdungs- und Schädigungsverhalten der in Verbrennungsmotoren eingesetzten Aluminiumgusslegierungen AlSi7Cu0,5Mg-T7 und AlSi12Cu3Ni2Mg-T7. Im Vergleich zur niederzyklischen sowie thermomechanischen Ermüdungsbeanspruchung führt die zusätzliche Überlagerung hochzyklischer Belastungen zu einer signifikanten Lebensdauerreduktion, die mit der Replika-Technik beobachteten Beschleunigung des Kurzrisswachstums erklärt werden kann. Frakto- und metallographische Untersuchungen zeigen, dass Rissinitiierung und Lebensdauerverhalten durch Gussdefekte sowie von belastungs- und temperaturabhängigen Schädigungsmechanismen bestimmt werden. Die Lebensdauern werden mit einem mechanismenbasierten Risswachstumsmodell vorhergesagt. Dazu wird der Schädigungsparameter DTMF,brittle entwickelt, der die charakteristischen Schädigungsmechanismen berücksichtigt. Die Legierung AlSi12Cu3Ni2Mg-T7 wird abschließend mit der Finite-Elemente-Methode und mikrostrukturbasierten Zellmodellen untersucht. Mit den Simulationsergebnissen können die experimentell beobachteten Schädigungsmechanismen fundiert gestützt werden.
Hot working tools are subjected to complex thermal and mechanical loads during service. Locally, the stresses can exceed the material’s yield strength in highly loaded areas. During production, this causes cyclic plastic deformation and thus thermomechanical fatigue, which can significantly shorten the lifetime of hot working tools. To sustain this high loads, the hot working tools are typically made of tempered martensitic hot work tool steels. While the annealing temperatures of the tool steels usually lie in the range of 400 to 600 °C, the steels may experience even higher temperatures during hot working, resulting in softening of the material due to changes in microstructure. Therefore, the temperature-dependent cyclic mechanical properties of the frequently used hot work tool steel 1.2367 (X38CrMoV5-3) after tempering are investigated in this work. To this end, hardness measurements are performed. Furthermore, the Institute of Forming Technology and Machines (IFUM) provides test results from cyclic tests at temperatures ranging from 20 °C (room temperature) to 650 °C. To describe the observed time- and temperature-dependent softening during tempering, a kinetic model for the evolution of the mean size of secondary carbides based on Ostwald ripening is developed. In addition, both mechanism-based and phenomenological relationships for the cyclic mechanical properties of the Ramberg- Osgood model depending on carbide size and temperature are proposed. The stress-strain hysteresis loops measured at different temperatures and after different heat treatments can be well described with the proposed kinetic and mechanical model. Furthermore, the model is suitable for integration in advanced mechanism-based lifetime models. However, since the Ramberg-Osgood model is not suitable for finite element implementation, a temperature-dependent incremental cyclic plasticity model is presented as well. Thus, softening due to particle coarsening can be applied in the finite element method (FEM). Therefore, a kinetic model is coupled with a cyclic plasticity model including kinematic hardening. The plasticity model is implemented via subroutines in the finite element program ABAQUS for implicit integration (subroutine called UMAT) and explicit integration (subroutine called VUMAT). The implemented model is used for the simulation of an exemplary hot working process to assess the effects of softening due to particle coarsening. It shows that the thermal softening at high temperatures, which occur over a long time at a mechanically highly loaded area, has a great influence. If this influence is not considered in tool design, an unexpected tool failure might occur bringing the production to a standstill.
In thermomechanisch hochbelasteten Bauteilen begrenzt das Wachstum von Ermüdungsrissen die Bauteillebensdauer. Es kommen Lebensdauermodelle und Finite-Elemente Simulationen zum Einsatz, um ein vorzeitiges Bauteilversagen zu verhindern. Hierbei werden im Allgemeinen deterministische Werkstoffeigenschaften unterstellt, sodass die Information über die im realen Werkstoff auftretenden Streuungen verloren geht, was eine Unsicherheit im Auslegungsprozess mit sich bringt. In der vorliegenden Ausarbeitung werden Methoden zur adäquaten Bestimmung der Werkstoffkennwerte und zur Beschreibung ihrer Streuung durch statistische Verteilungen entwickelt. Einen wesentlichen Aspekt der Arbeit stellt die Bestimmung von objektiven Werkstoffkennwerten dar, zu deren Zweck ein Robustheitskriterium eingeführt wird. Anhand zahlreicher Versuchsdatensätze der Nickelbasislegierung MARM247 und des niobstabilisierten austenitischen Stahls X6 CrNiNb 18-10 kann diese Methodik ausgearbeitet werden und führt auf ein probabilistisches Lebensdauermodell, dass die Abschätzung des Einfluusses von statistisch verteilten Werkstoffkennwerten auf die Ermüdungslebensdauer erlaubt. Als Ergebnis einer Monte-Carlo Simulation zeigt sich, dass im Vergleich von deterministischer zu probabilistischer Lebensdauerbewertung eine probabilistische Auswertung bei beiden untersuchten Werkstoffen zu einem um circa Faktor zwei größeren Streuband in der Lebensdauer führt. In einem Bauteilkonzept wird die anhand der Versuchsdaten erarbeitete Methodik erweitert, sodass eine Abschätzung des Ein usses von streuenden Werkstoffeigenschaften auf Bauteilebene durch Finite-Elemente Simulationen möglich wird. Es kommt das Two-Layer-Viscoplasticity Modell zum Einsatz. Um die Streuung seiner Werkstoffkennwerte ermitteln zu können, reicht die vorliegende Datenbasis nicht aus, sodass Annahmen zu den Werkstoffkennwerten getroffen werden müssen.
With the increasing share of renewable energies and the nuclear phase-out, the energy transition is accelerating. From the perspective of building technology, there is great potential to support this transition given its large share in total energy consumption and the increasing number of flexible and controllable components and storages. However, a question often asked at the plant level is: "How do we use this flexibility to support the regional grid?". In this work, a grid-supportive controller of a real-world building energy plant was developed using mathematical optimisation methods and its technical feasibility was demonstrated. The results could convince actors from the energy industry and academia about the practicality of these methods and offer tools for their implementation.