Universität Stuttgart
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Item Open Access Comprehensive study of failure mechanisms of field-aged automotive lead batteries(2023) Conradt, Rafael; Schröer, Philipp; Dazer, Martin; Wirth, Jonathan; Jöris, Florian; Schulte, Dominik; Birke, Kai PeterModern vehicles have increasing safety requirements and a need for reliable low-voltage power supply in their on-board power supply systems. Understanding the causes and probabilities of failures in a 12 V power supply is crucial. Field analyses of aged and failed 12 V lead batteries can provide valuable insights regarding this topic. In a previous study, non-invasive electrical testing was used to objectively determine the reasons for failure and the lifetime of individual batteries. By identifying all of the potential failure mechanisms, the Latin hypercube sampling method was found to effectively reduce the required sample size. To ensure sufficient confidence in validating diagnostic algorithms and calculating time-dependent failure rates, all identified aging phenomena must be considered. This study presents a probability distribution of the failure mechanisms that occur in the field, as well as provides insights into potential opportunities, but it also challenges diagnostic approaches for current and future vehicles.Item Open Access Fractional calculus for distributions(2024) Hilfer, Rudolf; Kleiner, TillmannFractional derivatives and integrals for measures and distributions are reviewed. The focus is on domains and co-domains for translation invariant fractional operators. Fractional derivatives and integrals interpreted as -convolution operators with power law kernels are found to have the largest domains of definition. As a result, extending domains from functions to distributions via convolution operators contributes to far reaching unifications of many previously existing definitions of fractional integrals and derivatives. Weyl fractional operators are thereby extended to distributions using the method of adjoints. In addition, discretized fractional calculus and fractional calculus of periodic distributions can both be formulated and understood in terms of -convolution.Item Open Access Physics-informed transformers for electronic quantum states(2025) Sobral, João Augusto; Perle, Michael; Scheurer, Mathias S.Neural-network-based variational quantum states, particularly autoregressive models, are powerful tools for describing complex many-body wave functions. However, their performance depends on the computational basis chosen and they often lack physical interpretability. We propose a modified variational Monte-Carlo framework which leverages prior physical information to construct a complete computational many-body basis containing a reference state that serves as a rough approximation to the true ground state. A Transformer is used to parametrize and autoregressively sample corrections to this reference state, giving rise to a more interpretable and computationally efficient representation of the ground state. We demonstrate this approach in a fermionic model featuring a metal-insulator transition by employing Hartree-Fock and a strong-coupling limit to define physics-informed bases. We also show that the Transformer’s hidden representation captures the natural energetic order of the different basis states. This work paves the way for more efficient and interpretable neural quantum-state representations.Item Open Access Designing actuation concepts for adaptive slabs with integrated fluidic actuators using influence matrices(2022) Nitzlader, Markus; Steffen, Simon; Bosch, Matthias J.; Binz, Hansgeorg; Kreimeyer, Matthias; Blandini, LucioPrevious work has shown that floor slabs make up most of the material mass of building structures and are typically made of reinforced concrete. Considering the associated resource consumption and greenhouse gas emissions, new approaches are needed in order to reduce the built environment’s impact on the ongoing climate crisis. Various studies have demonstrated that adaptive building structures offer a potential solution for reducing material resource consumption and associated emissions. Adaptive structures have the ability to improve load-bearing performance by specifically reacting to external loads. This work applies the concept of adaptive structures to reinforced concrete slabs through the integration of fluidic actuators into the cross-section. The optimal integration of actuators in reinforced concrete slabs is a challenging interdisciplinary design problem that involves many parameters. In this work, actuation influence matrices are extended to slabs and used as an analysis and evaluation tool for deriving actuation concepts for adaptive slabs with integrated fluidic actuators. To define requirements for the actuator concept, a new procedure for the selection of actuation modes, actuator placement and the computation of actuation forces is developed. This method can also be employed to compute the required number of active elements for a given load case. The new method is highlighted in a case study of a 2 m × 2 m floor.Item Open Access A timed off-switch for dynamic control of gene expression in Corynebacterium glutamicum(2021) Siebert, Daniel; Altenbuchner, Josef; Blombach, BastianDynamic control of gene expression mainly relies on inducible systems, which require supplementation of (costly) inducer molecules. In contrast, synthetic regulatory circuits, which allow the timed shutdown of gene expression, are rarely available and therefore represent highly attractive tools for metabolic engineering. To achieve this, we utilized the VanR/PvanABK* regulatory system of Corynebacterium glutamicum, which consists of the transcriptional repressor VanR and a modified promoter of the vanABK operon (PvanABK*). VanR activity is modulated by one of the phenolic compounds ferulic acid, vanillin or vanillic acid, which are co-metabolized with d-glucose. Thus, gene expression in the presence of d-glucose is turned off if one of the effector molecules is depleted from the medium. To dynamically control the expression of the aceE gene, encoding the E1 subunit of the pyruvate dehydrogenase complex that is essential for growth on d-glucose, we replaced the native promoter by vanR/PvanABK* yielding C. glutamicum ΔPaceE::vanR-PvanABK*. The biomass yield of this strain increased linearly with the supplemented amount of effector. After consumption of the phenolic compounds growth ceased, however, C. glutamicumΔPaceE::vanR-PvanABK* continued to utilize the residual d-glucose to produce significant amounts of pyruvate, l-alanine, and l-valine. Interestingly, equimolar concentrations of the three phenolic compounds resulted in different biomass yields; and with increasing effector concentration, the product spectrum shifted from pyruvate over l-alanine to l-valine. To further test the suitability of the VanR/PvanABK* system, we overexpressed the l-valine biosynthesis genes ilvBNCE in C. glutamicum ΔPaceE::vanR-PvanABK*, which resulted in efficient l-valine production with a yield of about 0.36 mol l-valine per mol d-glucose. These results demonstrate that the VanR/PvanABK* system is a valuable tool to control gene expression in C. glutamicum in a timed manner by the cheap and abundant phenolic compounds ferulic acid, vanillin, and vanillic acid.Item Open Access Charge regulation and swelling of weak polyelectrolyte nanogels in divalent salt solutions(2026) Beyer, David; Holm, ChristianWe use computer simulations to investigate the behavior of a weak polyelectrolyte nanogel in a solution containing divalent salt. In our simulations, we systematically vary the bulk pH value and the bulk concentration of divalent salt, allowing us to study the influence of charge regulation and divalent ions on the ionization behavior, ion partitioning, and nanogel swelling. With regard to the ionization behavior, we observe that, with an increasing concentration of divalent salt, the suppression of ionization becomes weaker. Moreover, we find that the strongly non‐uniform ionization profile observed in the absence of divalent counterions becomes increasingly uniform as the concentration of divalent salt is increased. We also study the partitioning of monovalent and divalent counterions between the nanogel and the bulk solution; our analysis shows that the uptake of divalent ions may be enhanced by up to tenfold as compared to the mean‐field prediction. Finally, we consider the influence of divalent ions on the pH‐dependent swelling behavior of the nanogel. Here, we observe a two‐stage swelling driven by charge regulation and ion partitioning. Overall, our results highlight the complex interplay of ionization equilibria, valency effects, and ion partitioning in weak polyelectrolyte systems.Item Open Access The Bacteroidetes Aequorivita sp. and Kaistella jeonii produce promiscuous esterases with PET-hydrolyzing activity(2022) Zhang, Hongli; Perez-Garcia, Pablo; Dierkes, Robert F.; Applegate, Violetta; Schumacher, Julia; Chibani, Cynthia Maria; Sternagel, Stefanie; Preuss, Lena; Weigert, Sebastian; Schmeisser, Christel; Danso, Dominik; Pleiss, Jürgen; Almeida, Alexandre; Höcker, Birte; Hallam, Steven J.; Schmitz, Ruth A.; Smits, Sander H. J.; Chow, Jennifer; Streit, Wolfgang R.Certain members of the Actinobacteria and Proteobacteria are known to degrade polyethylene terephthalate (PET). Here, we describe the first functional PET-active enzymes from the Bacteroidetes phylum. Using a PETase-specific Hidden-Markov-Model- (HMM-) based search algorithm, we identified several PETase candidates from Flavobacteriaceae and Porphyromonadaceae. Among them, two promiscuous and cold-active esterases derived from Aequorivita sp. (PET27) and Kaistella jeonii (PET30) showed depolymerizing activity on polycaprolactone (PCL), amorphous PET foil and on the polyester polyurethane Impranil® DLN. PET27 is a 37.8 kDa enzyme that released an average of 174.4 nmol terephthalic acid (TPA) after 120 h at 30°C from a 7 mg PET foil platelet in a 200 μl reaction volume, 38-times more than PET30 (37.4 kDa) released under the same conditions. The crystal structure of PET30 without its C-terminal Por-domain (PET30ΔPorC) was solved at 2.1 Å and displays high structural similarity to the IsPETase. PET30 shows a Phe-Met-Tyr substrate binding motif, which seems to be a unique feature, as IsPETase, LCC and PET2 all contain Tyr-Met-Trp binding residues, while PET27 possesses a Phe-Met-Trp motif that is identical to Cut190. Microscopic analyses showed that K. jeonii cells are indeed able to bind on and colonize PET surfaces after a few days of incubation. Homologs of PET27 and PET30 were detected in metagenomes, predominantly aquatic habitats, encompassing a wide range of different global climate zones and suggesting a hitherto unknown influence of this bacterial phylum on man-made polymer degradation.Item Open Access Nanoscale mapping of magnetic auto-oscillations with a single spin sensor(2025) Hache, Toni; Anshu, Anshu; Shalomayeva, Tetyana; Richter, Gunther; Stöhr, Rainer; Kern, Klaus; Wrachtrup, Jörg; Singha, AparajitaSpin Hall nano-oscillators convert DC to magnetic auto-oscillations in the microwave regime. Current research on these devices is dedicated to creating next-generation energy-efficient hardware for communication technologies. Despite intensive research on magnetic auto-oscillations within the past decade, the nanoscale mapping of those dynamics remained a challenge. We image the distribution of free-running magnetic auto-oscillations by driving the electron spin resonance transition of a single spin quantum sensor, enabling fast acquisition (100 ms/pixel). With quantitative magnetometry, we experimentally demonstrate for the first time that the auto-oscillation spots are localized at magnetic field minima acting as local potential wells for confining spin-waves. By comparing the magnitudes of the magnetic stray field at these spots, we decipher the different frequencies of the auto-oscillation modes. The insights gained regarding the interaction between auto-oscillation modes and spin-wave potential wells enable advanced engineering of real devices.Item Open Access The role of dimensionality and geometry in quench-induced nonequilibrium forces(2021) Nejad, Mehrana Raeisian; Khalilian, Hamidreza; Rohwer, Christian M.; Moghaddam, Ali GhorbanzadehWe present an analytical formalism, supported by numerical simulations, for studying forces that act on curved walls following temperature quenches of the surrounding ideal Brownian fluid. We show that, for curved surfaces, the post-quench forces initially evolve rapidly to an extremal value, whereafter they approach their steady state value algebraically in time. In contrast to the previously-studied case of flat boundaries (lines or planes), the algebraic decay for curved geometries depends on the dimension of the system. Specifically, steady-state values of the force are approached in time as t-d/2 in d-dimensional spherical (curved) geometries. For systems consisting of concentric circles or spheres, the exponent does not change for the force on the outer circle or sphere. However, the force exerted on the inner circles or sphere experiences an overshoot and, as a result, does not evolve to the steady state in a simple algebraic manner. The extremal value of the force also depends on the dimension of the system, and originates from curved boundaries and the fact that particles inside a sphere or circle are locally more confined, and diffuse less freely than particles outside the circle or sphere.Item Open Access Direct electron beam patterning of electro-optically active PEDOT:PSS(2024) Doshi, Siddharth; Ludescher, Dominik; Karst, Julian; Floess, Moritz; Carlström, Johan; Li, Bohan; Mintz Hemed, Nofar; Duh, Yi-Shiou; Melosh, Nicholas A.; Hentschel, Mario; Brongersma, Mark; Giessen, HaraldThe optical and electronic tunability of the conductive polymer poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) has enabled emerging applications as diverse as bioelectronics, flexible electronics, and micro- and nano-photonics. High-resolution spatial patterning of PEDOT:PSS opens up opportunities for novel active devices in a range of fields. However, typical lithographic processes require tedious indirect patterning and dry etch processes, while solution-processing methods such as ink-jet printing have limited spatial resolution. Here, we report a method for direct write nano-patterning of commercially available PEDOT:PSS through electron-beam induced solubility modulation. The written structures are water stable and maintain the conductivity as well as electrochemical and optical properties of PEDOT:PSS, highlighting the broad utility of our method. We demonstrate the potential of our strategy by preparing prototypical nano-wire structures with feature sizes down to 250 nm, an order of magnitude finer than previously reported direct write methods, opening the possibility of writing chip-scale microelectronic and optical devices. We finally use the high-resolution writing capabilities to fabricate electrically-switchable optical diffraction gratings. We show active switching in this archetypal system with >95 % contrast at CMOS-compatible voltages of +2 V and -3 V, offering a route towards highly-miniaturized dynamic optoelectronic devices.