05 Fakultät Informatik, Elektrotechnik und Informationstechnik
Permanent URI for this collectionhttps://elib.uni-stuttgart.de/handle/11682/6
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Item Open Access Analytic free-energy expression for the 2D-Ising model and perspectives for battery modeling(2023) Markthaler, Daniel; Birke, Kai PeterAlthough originally developed to describe the magnetic behavior of matter, the Ising model represents one of the most widely used physical models, with applications in almost all scientific areas. Even after 100 years, the model still poses challenges and is the subject of active research. In this work, we address the question of whether it is possible to describe the free energy A of a finite-size 2D-Ising model of arbitrary size, based on a couple of analytically solvable 1D-Ising chains. The presented novel approach is based on rigorous statistical-thermodynamic principles and involves modeling the free energy contribution of an added inter-chain bond DAbond(b, N) as function of inverse temperature b and lattice size N. The identified simple analytic expression for DAbond is fitted to exact results of a series of finite-size quadratic N N-systems and enables straightforward and instantaneous calculation of thermodynamic quantities of interest, such as free energy and heat capacity for systems of an arbitrary size. This approach is not only interesting from a fundamental perspective with respect to the possible transfer to a 3D-Ising model, but also from an application-driven viewpoint in the context of (Li-ion) batteries where it could be applied to describe intercalation mechanisms.Item Open Access Improving the accuracy of musculotendon models for the simulation of active lengthening(2023) Millard, Matthew; Kempter, Fabian; Stutzig, Norman; Siebert, Tobias; Fehr, JörgVehicle accidents can cause neck injuries which are costly for individuals and society. Safety systems could be designed to reduce the risk of neck injury if it were possible to accurately simulate the tissue-level injuries that later lead to chronic pain. During a crash, reflexes cause the muscles of the neck to be actively lengthened. Although the muscles of the neck are often only mildly injured, the forces developed by the neck’s musculature affect the tissues that are more severely injured. In this work, we compare the forces developed by MAT_156, LS-DYNA’s Hill-type model, and the newly proposed VEXAT muscle model during active lengthening. The results show that Hill-type muscle models underestimate forces developed during active lengthening, while the VEXAT model can more faithfully reproduce experimental measurements.Item Open Access Multi-method model for the investigation of disassembly scenarios for electric vehicle batteries(2023) Baazouzi, Sabri; Grimm, Julian; Birke, Kai PeterDisassembly is a pivotal technology to enable the circularity of electric vehicle batteries through the application of circular economy strategies to extend the life cycle of battery components through solutions such as remanufacturng, repurposing, and efficient recycling, ultimately reintegrating gained materials into the production of new battery systems. This paper aims to develop a multi-method self-configuring simulation model to investigate disassembly scenarios, taking into account battery design as well as the configuration and layout of the disassembly station. We demonstrate the developed model in a case study using a Mercedes-Benz battery and the automated disassembly station of the DeMoBat project at Fraunhofer IPA. Furthermore, we introduce two disassembly scenarios: component-oriented and accessibility-oriented disassembly. These scenarios are compared using the simulation model to determine several indicators, including the frequency of tool change, the number and distribution of robot routes, tool utilization, and disassembly time.Item Open Access Modulationsdotierte Germanium-MOSFETs für den Spin-Transport in zweidimensionalen Lochgasen(2023) Weißhaupt, David; Schulze, Jörg (Prof. Dr. habil.)Die Halbleiter-Spintronik beschäftigt sich mit der Entwicklung neuer Bauelementkonzepte, die den intrinsischen Spin-Freiheitsgrad des Elektrons ausnutzen. Dabei werden spin-basierte Logik-Bauelemente aufgrund des geringen Energiebedarfs zum Umschalten der Spin-Orientierung als aussichtsreiche Kandidaten für zukünftige Transistor-Anwendungen diskutiert. Anzuführen sind hierfür beispielsweise der Spin-Feldeffekttransistor (FET) nach Datta und Das sowie der Spin-Metall-Oxid-Halbleiter-FET von Sugahara und Tanaka. Für diese Bauteilkonzepte müssen jedoch vier grundlegende Komponenten beherrscht werden: Die Spin-Information muss in den Halbleiter eingebracht (Spin-Injektion), transportiert sowie evtl. manipuliert (Spin-Transport & Spin-Manipulation) und final wiederum detektiert (Spin-Detektion) werden. Für die Integration dieser Bauelemente in die bestehende komplementäre Metall-Oxid-Halbleiter-Technologie ist eine elektrische Spin-Injektion bzw. Spin-Detektion notwendig. Die Realisierung von halbleiterbasierten spintronischen Bauelementen erfordert allerdings ein Materialsystem, das gute Spin-Transporteigenschaften sowie eine starke Spin-Bahn-Wechselwirkung für eine potenzielle Spin-Manipulation aufweist. Als vielversprechendes System hat sich hier das zwei-dimensionale Lochgas (engl. „two-dimensional hole gas“, 2DHG), welches in einer Si1-xGex/Ge/Si1-xGex Heterostruktur gebildet wird, erwiesen. Trotz der guten Eignung dieses Systems konnte bisher noch keine elektrische Spin-Injektion demonstriert werden, hauptsächlich wegen der Schwierigkeit, zuverlässige ferromagnetische Kontakte mit dem vergrabenen 2DHG herzustellen. Diese Arbeit befasst sich nun mit der elektrischen Spin-Injektion und Spin-Detektion in ein hochbewegliches (µ = (3,02 ± 0,01) ⋅ 10^4 cm^2/Vs) Ge 2DHG. Die für das Ge 2DHG zugehörige Si1-xGex/Ge/Si1-xGex Heterostruktur wurde dabei mittels Molekularstrahlepitaxie epitaktisch auf einem Si-Substrat gezüchtet. Um dieses Ziel zu erreichen, werden verschiedene Untersuchungsschwerpunkte adressiert. Zunächst werden zur Optimierung der Spin-Transporteigenschaften unterschiedliche Designs der Si1-xGex/Ge/Si1-xGex Heterostruktur auf der (100) Kristallorientierung untersucht. Dazu wurden anhand von Hall-Strukturen Tieftemperaturmagnetwiderstandsmessungen durchgeführt. Hierbei werden Shubnikov-de Haas Oszillationen beobachtet, aus denen die Ladungsträgerdichte, effektive Masse und Quantenstreuzeit des Ge 2DHGs extrahiert werden. Das daraus resultierende optimierte Design mit einer Modulationsdotierung von N_A = 5 ⋅ 10^17 cm^-3 und einer Ge-Quantentopf (engl. „quantum well“, QW) Dicke von d = 15 nm wird dann auf die (111) Kristallorientierung übertragen. Für die elektrische Spin-Injektion und Spin-Detektion werden als ferromagnetischen Kontakt dünne Mn5Ge3-Schichten, die mittels Interdiffusion direkt in den Ge-QW wachsen, benutzt. Dazu wird vor der Bildung der Kontakte die gesamte Si1-xGex-Deckschicht oberhalb des Ge-QWs mithilfe eines Trocken-Ätzprozesses entfernt. Zur Untersuchung der magnetischen Eigenschaften werden die so hergestellten Mn5Ge3-Mikromagnete mit einem supraleitenden Quanteninterferenzmagnetometer analysiert. Dabei konnte nur für die (111) Kristallorientierung die ferromagnetische Natur der gewachsenen Mn5Ge3-Schicht nachgewiesen werden. Durch die Variation der Formanisotropie ergeben sich unterschiedliche Koerzitivfeldstärken. Der Nachweis der elektrischen Spin-Injektion erfolgt schließlich anhand von Magnetwiderstandsmessungen an lateralen Mn5Ge3/Ge 2DHG/Mn5Ge3 Spin-Ventil Bauelementen. Dazu werden die zuvor untersuchten ferromagnetischen Mn5Ge3-Kontakte in einem Abstand von ca. l ≈ 135 nm im vergrabenen Ge-QW platziert. Die Experimente zeigen einen Riesenmagnetowiderstand (engl. „giant magneto resistance“, GMR) als Nachweis einer erfolgreichen elektrischen Spin-Injektion. Neben der elektrischen Spin-Injektion beinhaltet das auch den Spin-Transport im Ge 2DHG sowie die finale Spin-Detektion am zweiten ferromagnetischen Mn5Ge3-Kontakt. In Übereinstimmung zu den Spin-Transportuntersuchungen zeigt das GMR-Signal eine starke Abhängigkeit von der Temperatur und konnte bis zu einer maximalen Temperatur von T = 13 K beobachtet werden. Neben der elektrischen Spin-Injektion und Spin-Detektion wird für die Realisierung von Spin-Transistoren eine funktionierende Gate-Technologie vorausgesetzt. Um diese zu demonstrieren, werden zunächst auf Basis des Ge 2DHGs klassische modulationsdotierte Feldeffekttransistoren (MODFET) hergestellt und elektrisch charakterisiert. Mit einem An-Aus-Verhältnis von I_ON/I_OFF = 3,2⋅10^6 bei einer Steilheit von SS = 64 mV⁄dec könnte der Ge 2DHG MODFET unabhängig von der Halbleiter-Spintronik auch für zukünftige Tieftemperaturanwendungen interessant sein. Der Spin-FET nach Datta und Das würde dann durch das Tauschen der Source-Drain-Kontakte in ferromagnetische Mn5Ge3-Kontakte entstehen. Technologisch bedingt sind im Rahmen dieser Arbeit allerdings nur Transistoren mit einer minimalen Gate-Länge von L = 1 µm herstellbar. Da der Spin im Ge 2DHG über diese Länge nicht transportiert werden kann, ist die Realisierung eines Spin-Transistors technologiebedingt nicht möglich.Item Open Access Comparison of rotor arrangements of Transverse Flux Machines for a robotic direct drive optimized by genetic algorithm and Regression Tree Method(2023) Kaiser, Benedikt; Schmid, Martin; Parspour, NejilaArticulated robotics applications typically have a demand for high torque at low speed. However, conventional electrical machines cannot generate a reasonable amount of torque directly by electro-magnetics. Therefore, gearboxes are used to convert speed and torque, accepting loss of mechanical power due to additional friction. Although geared solutions for robotic drive trains already offer exceedingly high torque densities, they are limited by the drawbacks of high reduction gears, such as non-linearities in friction, complex flexibility effects, and limited service life of mechanics in contrary to direct drive solutions. The Transverse Flux Machine with the high gravimetric torque density may be a solution for reducing or eliminating the need for a gearbox. Using a genetic algorithm, the proposed Transverse Flux Machines are optimized. To enhance the optimization’s speed, the machines’ calculations done by Finite-Element-Analysis of selected generations are replaced by a Regression Tree Model whose results are verified after a defined expired model service life with a subsequent adjustment of the model. The eligibility of different arrangements the Transverse Flux Machines’ rotor are compared regarding the application as low-speed direct drive in robotics, also compared to similar Radial Flux Machines. The optimized Transverse Flux Machines have a higher efficiency due to lower copper loss and a higher active gravimetric torque density. However, the Radial Flux Machines have higher total torques and power factors.Item Open Access High‐stable lead‐free solar cells achieved by surface reconstruction of quasi‐2D tin‐based perovskites(2023) Yang, Feng; Zhu, Rui; Zhang, Zuhong; Su, Zhenhuang; Zuo, Weiwei; He, Bingchen; Aldamasy, Mahmoud Hussein; Jia, Yu; Li, Guixiang; Gao, Xingyu; Li, Zhe; Saliba, Michael; Abate, Antonio; Li, MengTin halide perovskites are an appealing alternative to lead perovskites. However, owing to the lower redox potential of Sn(II)/Sn(IV), particularly under the presence of oxygen and water, the accumulation of Sn(IV) at the surface layer will negatively impact the device's performance and stability. To this end, this work has introduced a novel multifunctional molecule, 1,4‐phenyldimethylammonium dibromide diamine (phDMADBr), to form a protective layer on the surface of Sn‐based perovskite films. Strong interactions between phDMADBr and the perovskite surface improve electron transfer, passivating uncoordinated Sn(II), and fortify against water and oxygen. In situ grazing incidence wide‐angle X‐ray scattering (GIWAXS) analysis confirms the enhanced thermal stability of the quasi‐2D phase, and hence the overall enhanced stability of the perovskite. Long‐term stability in devices is achieved, retaining over 90% of the original efficiency for more than 200 hours in a 10% RH moisture N2 environment. These findings propose a new approach to enhance the operational stability of Sn‐based perovskite devices, offering a strategy in advancing lead‐free optoelectronic applications.Item Open Access A preCICE-FMI Runner to couple controller models to PDEs(2023) Willeke, LeonardPartitioned simulation or co-simulation allows to simulate complex systems by breaking them into smaller, independent subsystems. The Functional Mock-Up Interface FMI enables co-simulation by defining a framework for simulation models. Models adhering to the standard interface (FMUs) are executed and coupled by an importer. This framework approach works well for models based on ODEs and DAEs but reaches its limits for models based on PDEs. Such models require sophisticated, legacy software packages not compatible with the FMI standard. However, only PDE-based models are able to accurately simulate many physical aspects important in engineering like heat transfer or Fluid-Structure interactions. A possible solution to this problem is the open-source coupling library preCICE. preCICE couples PDE-based simulation programs in a black-box fashion to achieve partitioned multi-physics simulations. The coupling of the FMI standard to preCICE would allow the co-simulation of FMI models with the more than 20 simulation programs in the preCICE ecosystem. This thesis is focused on the development of a preCICE-FMI Runner software to couple FMUs with preCICE. The Runner serves as an importer to execute the FMU and steer the simulation. Additionally, it calls the preCICE library to communicate and coordinate with other solvers. The scope is not to develop a general Runner software, but to couple FMUs that contain control algorithms with PDE-based models as a first step. The software is written in Python and relies on the Python package FMPy as well as the preCICE Python bindings. Two test cases show the functionality of the preCICE-FMI Runner. The coupling of ODE-based models with FMUs matches the results of a pure Python implementation with an accuracy of 10 −4 . The coupling of a PDE-based model to a controller FMU proofs the working principle, although the results could not be tested against other implementations. The scope of the implemented abilities restricts the possible simulation scenarios, but does not prohibit a general use for coupling scenarios beyond control applications.Item Open Access Proof of concept : the GREENcell : a lithium cell with a F-, Ni- and Co-Free cathode and stabilized in-situ LiAl alloy anode(2023) Schad, Kathrin; Welti, Dominic; Birke, Kai PeterGiven the rising upscaling trend in lithium-ion battery (LiB) production, there is a growing emphasis on the environmental and economic impacts alongside the high energy density demands. The cost and environmental impact of battery production primarily arise from the critical elements Ni, Co, and F. This drives the exploration of Ni-free and Co-free cathode alternatives such as LiMn 2O 4 (LMO) and LiFePO 4 (LFP). However, the absence of Ni and Co results in reduced capacity and insufficient cyclic stability, particularly in the case of LMO due to Mn dissolution. To compensate for both low cathode capacitance and low cycle stability, we propose the GREENcell, a lithium cell combining a F-free polyisobutene (PIB) binder-based LMO cathode with a stabilized in -situ LiAL alloy anode. A LiAl alloy anode with the chemical composition of LiAl already shows a theoretical capacity of 993 Ah·kg−1. Therefore, it promises extraordinarily higher energy densities compared to a commercial graphite anode with a capacity of 372 Ah·kg−1. Following an iterative development process, different optimization strategies, especially those targeting the stability of the Al-based anode, were evaluated. During Al foil selection, foil purity and thickness could be identified as two of the dominant influencing parameters. A pressed-in stainless steel mesh provides both mechanical stability to the anode and facilitates alloy formation by breaking up the Al oxide layer beforehand. Additionally, a binder-stabilized Al oxide or silicate layer is pre-coated on the Al surface, posing as a SEI-precursor and ensuring a uniform liquid electrolyte distribution at the phase boundary. Employing a commercially available Si-containing Al alloy mitigated the mechanical degradation of the anode, yielding a favorable impact on long-term stability. The applicability of the novel optimized GREENcell is demonstrated using laboratory coin cells with LMO and LFP as the cathode. As a result, the functionality of the GREENcell was demonstrated for the first time, and thanks to the anode stabilization strategies, a capacity retention of >70% after 200 was achieved, representing an increase of 32.6% compared to the initial Al foil.Item Open Access Characterizing the influence of charge extraction layers on the performance of triple‐cation perovskite solar cells(2023) Siekmann, Johanna; Kulkarni, Ashish; Akel, Samah; Klingebiel, Benjamin; Saliba, Michael; Rau, Uwe; Kirchartz, ThomasSelecting suitable charge transport layers and suppressing non-radiative recombination at interfaces with the absorber layer is vital for maximizing the efficiency of halide perovskite solar cells. In this study, high-quality perovskite thin films and devices are fabricated with different fullerene-based electron transport layers and different self-assembled monolayers as hole transport layers. Then, a comparative study of a significant variety of different electrical, optical, and photoemission-based characterization techniques is performed to quantify the properties of the solar cells, individual layers, and, importantly, the interfaces between them. In addition, the limitations and problems of the different measurements, the insights gained by combining different methods, and the different strategies for extracting information from the experimental raw data, are highlighted.Item Open Access AssistML : an approach to manage, recommend and reuse ML solutions(2023) Villanueva Zacarias, Alejandro Gabriel; Reimann, Peter; Weber, Christian; Mitschang, BernhardThe adoption of machine learning (ML) in organizations is characterized by the use of multiple ML software components. When building ML systems out of these software components, citizen data scientists face practical requirements which go beyond the known challenges of ML, e. g., data engineering or parameter optimization. They are expected to quickly identify ML system options that strike a suitable trade-off across multiple performance criteria. These options also need to be understandable for non-technical users. Addressing these practical requirements represents a problem for citizen data scientists with limited ML experience. This calls for a concept to help them identify suitable ML software combinations. Related work, e. g., AutoML systems, are not responsive enough or cannot balance different performance criteria. This paper explains how AssistML, a novel concept to recommend ML solutions, i. e., software systems with ML models, can be used as an alternative for predictive use cases. Our concept collects and preprocesses metadata of existing ML solutions to quickly identify the ML solutions that can be reused in a new use case. We implement AssistML and evaluate it with two exemplary use cases. Results show that AssistML can recommend ML solutions in line with users’ performance preferences in seconds. Compared to AutoML, AssistML offers citizen data scientists simpler, intuitively explained ML solutions in considerably less time. Moreover, these solutions perform similarly or even better than AutoML models.