Institut für Technik, Ressourcenschonung und Energieeffizienz (TREE)
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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 actomyosin system generates mechanical work with the execution of the power stroke, an ATP-driven, two-step rotational swing of the myosin-neck that occurs post ATP hydrolysis during the transition from weakly to strongly actin-bound myosin states concomitant with Pi release and prior to ADP dissociation. The activating role of actin on product release and force generation is well documented; however, the communication paths associated with weak-to-strong transitions are poorly characterized. With the aid of mutant analyses based on kinetic investigations and simulations, we identified the W-helix as an important hub coupling the structural changes of switch elements during ATP hydrolysis to temporally controlled interactions with actin that are passed to the central transducer and converter. Disturbing the W-helix/transducer pathway increased actin-activated ATP turnover and reduced motor performance as a consequence of prolonged duration of the strongly actin-attached states. Actin-triggered Pi release was accelerated, while ADP release considerably decelerated, both limiting maximum ATPase, thus transforming myosin-2 into a high-duty-ratio motor. This kinetic signature of the mutant allowed us to define the fractional occupancies of intermediate states during the ATPase cycle providing evidence that myosin populates a cleft-closure state of strong actin interaction during the weak-to-strong transition with bound hydrolysis products before accomplishing the power stroke.
TREE Jahresbericht 2019/2020
(2021)
Der Jahresbericht soll in seiner Breite als auch in seiner Tiefe die Stärken unserer gemeinschaftlichen Anstrengungen im Forschungsfeld der nachhaltigen Technologien aufzeigen: interdisziplinär, forschungsstark, nachwuchsfördernd und gesellschaftszugewandt.
Im vergangenen Jahr war die Pandemie auch für das Insitut TREE eine Herausforderung. Wie die Mitglieder mit der Umstellung auf eine hauptsächlich online stattfindende Kommunikation umgegangen sind und wie das Hochschulleben sich dadurch verändert hat, wurde im Jahresbericht unter "See you online" festgehalten. Auch der Wechsel im Direktorium des Instituts ist Thema des diesjährigen Jahresberichts. Unter den Hauptthemen "Wissenschaftstransfer", "TREE und Wirtschaft" und "Transfer Öffentlichkeit" können sie die wichtigsten Ereignisse für das Institut in den Jahren 2019 und 2020 nachlesen.
An der H-BRS, einer Hochschule für Angewandte Wissenschaften mit ca. 9.000 Studierenden, wurde die OER-Kultur bewusst als Teil der Strategie zur Digitalisierung der Lehre in drei Schritten etabliert: (1) Gemeinsame Strategiebildung als Teil eines partizipativ erarbeiteten Hochschulentwicklungsplans: Verankerung von OER in der Digitalisierungsstrategie. (2) Basierend auf der Vernetzung der Expertinnen und Experten erfolgreiche Einwerbung von OER-Projekten, die exemplarisch vorgestellt werden. (3) Dauerhafte strategische Verankerung, basierend auf kontinuierlicher interner und externer Netzwerkarbeit, Etablierung von digitalen Austauschplattformen für die Lehrenden, Transfer des OER-Gedankens (Kooperation, Austausch, Mehrfachnutzen) auf die Hochschuldidaktik sowie regelmäßige Ausschreibungen von Fördermaßnahmen.
This study investigates the effects of four multifunctional chain-extending cross-linkers (CECL) on the processability, mechanical performance, and structure of polybutylene adipate terephthalate (PBAT) and polylactic acid (PLA) blends produced using film blowing technology. The newly developed reference compound (M·VERA® B5029) and the CECL modified blends are characterized with respect to the initial properties and the corresponding properties after aging at 50 °C for 1 and 2 months. The tensile strength, seal strength, and melt volume rate (MVR) are markedly changed after thermal aging, whereas the storage modulus, elongation at the break, and tear resistance remain constant. The degradation of the polymer chains and crosslinking with increased and decreased MVR, respectively, is examined thoroughly with differential scanning calorimetry (DSC), with the results indicating that the CECL-modified blends do not generally endure thermo-oxidation over time. Further, DSC measurements of 25 µm and 100 µm films reveal that film blowing pronouncedly changes the structures of the compounds. These findings are also confirmed by dynamic mechanical analysis, with the conclusion that tris(2,4-di-tert-butylphenyl)phosphite barely affects the glass transition temperature, while with the other changes in CECL are seen. Cross-linking is found for aromatic polycarbodiimide and poly(4,4-dicyclohexylmethanecarbodiimide) CECL after melting of granules and films, although overall the most synergetic effect of the CECL is shown by 1,3-phenylenebisoxazoline.
Suitability of Current Sensors for the Measurement of Switching Currents in Power Semiconductors
(2021)
This paper investigates the impact of current sensors on the measurement of transient currents in fast-switching power semiconductors in a double pulse test (DPT environment. We review previous research that assesses the influence of current sensors on a DPT circuit through mathematical modeling. The developed selection aids can be used to identify suitable current sensors for transient current measurements of fast-switching power semiconductors and to estimate the error introduced by their insertion into the DPT circuit. Afterwards, this analysis is extended by including further elements from real DPT applications to increase the consistency of the error estimation with practical situations and setups. Both methods are compared and their individual advantages and drawbacks are discussed. Finally, a recommendation on when to use which method is derived.
In this paper, the electrochemical alkaline methanol oxidation process, which is relevant for the design of efficient fuel cells, is considered. An algorithm for reconstructing the reaction constants for this process from the experimentally measured polarization curve is presented. The approach combines statistical and principal component analysis and determination of the trust region for a linearized model. It is shown that this experiment does not allow one to determine accurately the reaction constants, but only some of their linear combinations. The possibilities of extending the method to additional experiments, including dynamic cyclic voltammetry and variations in the concentration of the main reagents, are discussed.
This book discusses the development of the Rosenbrock—Wanner methods from the origins of the idea to current research with the stable and efficient numerical solution and differential-algebraic systems of equations, still in focus. The reader gets a comprehensive insight into the classical methods as well as into the development and properties of novel W-methods, two-step and exponential Rosenbrock methods. In addition, descriptive applications from the fields of water and hydrogen network simulation and visual computing are presented. (Verlagsangaben)
In this contribution, we perform computer simulations to expedite the development of hydrogen storages based on metal hydride. These simulations enable in-depth analysis of the processes within the systems which otherwise could not be achieved. That is, because the determination of crucial process properties require measurement instruments in the setup which are currently not available. Therefore, we investigate the reliability of reaction values that are determined by a design of experiments.
Specifically, we first explain our model setup in detail. We define the mathematical terms to obtain insights into the thermal processes and reaction kinetics. We then compare the simulated results to measurements of a 5-gram sample consisting of iron-titanium-manganese (FeTiMn) to obtain the values with the highest agreement with the experimental data. In addition, we improve the model by replacing the commonly used Van’t-Hoff equation by a mathematical expression of the pressure-composition-isotherms (PCI) to calculate the equilibrium pressure.
Finally, the parameters’ accuracy is checked in yet another with an existing metal hydride system. The simulated results demonstrate high concordance with experimental data, which advocate the usage of approximated kinetic reaction properties by a design of experiments for further design studies. Furthermore, we are able to determine process parameters like the entropy and enthalpy.
The genetic basis of brain tumor development is poorly understood. Here, leukocyte DNA of 21 patients from 15 families with ≥ 2 glioma cases each was analyzed by whole-genome or targeted sequencing. As a result, we identified two families with rare germline variants, p.(A592T) or p.(A817V), in the E-cadherin gene CDH1 that co-segregate with the tumor phenotype, consisting primarily of oligodendrogliomas, WHO grade II/III, IDH-mutant, 1p/19q-codeleted (ODs). Rare CDH1 variants, previously shown to predispose to gastric and breast cancer, were significantly overrepresented in these glioma families (13.3%) versus controls (1.7%). In 68 individuals from 28 gastric cancer families with pathogenic CDH1 germline variants, brain tumors, including a pituitary adenoma, were observed in three cases (4.4%), a significantly higher prevalence than in the general population (0.2%). Furthermore, rare CDH1 variants were identified in tumor DNA of 6/99 (6%) ODs. CDH1 expression was detected in undifferentiated and differentiating oligodendroglial cells isolated from rat brain. Functional studies using CRISPR/Cas9-mediated knock-in or stably transfected cell models demonstrated that the identified CDH1 germline variants affect cell membrane expression, cell migration and aggregation. E-cadherin ectodomain containing variant p.(A592T) had an increased intramolecular flexibility in a molecular dynamics simulation model. E-cadherin harboring intracellular variant p.(A817V) showed reduced β-catenin binding resulting in increased cytosolic and nuclear β-catenin levels reverted by treatment with the MAPK interacting serine/threonine kinase 1 inhibitor CGP 57380. Our data provide evidence for a role of deactivating CDH1 variants in the risk and tumorigenesis of neuroepithelial and epithelial brain tumors, particularly ODs, possibly via WNT/β-catenin signaling.
In view of the rapid growth of solar power installations worldwide, accurate forecasts of photovoltaic (PV) power generation are becoming increasingly indispensable for the overall stability of the electricity grid. In the context of household energy storage systems, PV power forecasts contribute towards intelligent energy management and control of PV-battery systems, in particular so that self-sufficiency and battery lifetime are maximised. Typical battery control algorithms require day-ahead forecasts of PV power generation, and in most cases a combination of statistical methods and numerical weather prediction (NWP) models are employed. The latter are however often inaccurate, both due to deficiencies in model physics as well as an insufficient description of irradiance variability.
The lattice Boltzmann method (LBM) is an efficient simulation technique for computational fluid mechanics and beyond. It is based on a simple stream-and-collide algorithm on Cartesian grids, which is easily compatible with modern machine learning architectures. While it is becoming increasingly clear that deep learning can provide a decisive stimulus for classical simulation techniques, recent studies have not addressed possible connections between machine learning and LBM. Here, we introduce Lettuce, a PyTorch-based LBM code with a threefold aim. Lettuce enables GPU accelerated calculations with minimal source code, facilitates rapid prototyping of LBM models, and enables integrating LBM simulations with PyTorch's deep learning and automatic differentiation facility. As a proof of concept for combining machine learning with the LBM, a neural collision model is developed, trained on a doubly periodic shear layer and then transferred to a different flow, a decaying turbulence. We also exemplify the added benefit of PyTorch's automatic differentiation framework in flow control and optimization. To this end, the spectrum of a forced isotropic turbulence is maintained without further constraining the velocity field.
Künstliche Intelligenz (KI) ist aus der heutigen Gesellschaft kaum noch wegzudenken. Auch im Sport haben Methoden der KI in den letzten Jahren mehr und mehr Einzug gehalten. Ob und inwieweit dabei allerdings die derzeitigen Potenziale der KI tatsächlich ausgeschöpft werden, ist bislang nicht untersucht worden. Der Nutzen von Methoden der KI im Sport ist unbestritten, jedoch treten bei der Umsetzung in die Praxis gravierende Probleme auf, was den Zugang zu Ressourcen, die Verfügbarkeit von Experten und den Umgang mit den Methoden und Daten betrifft. Die Ursache für die, verglichen mit anderen Anwendungsgebieten, langsame An- bzw. Übernahme von Methoden der KI in den Spitzensport ist nach Hypothese des Autorenteams auf mehrere Mismatches zwischen dem Anwendungsfeld und den KI-Methoden zurückzuführen. Diese Mismatches sind methodischer, struktureller und auch kommunikativer Art. In der vorliegenden Expertise werden Vorschläge abgeleitet, die zur Auflösung der Mismatches führen können und zugleich neue Transfer- und Synergiemöglichkeiten aufzeigen. Außerdem wurden drei Use Cases zu Trainingssteuerung, Leistungsdiagnostik und Wettkampfdiagnostik exemplarisch umgesetzt. Dies erfolgte in Form entsprechender Projektbeschreibungen. Dabei zeigt die Ausarbeitung, auf welche Art und Weise Probleme, die heute noch bei der Verbindung zwischen KI und Sport bestehen, möglichst ausgeräumt werden können. Eine empirische Umsetzung des Use Case Trainingssteuerung erfolgte im Radsport, weshalb dieser ausführlicher dargestellt wird.
Photovoltaic (PV) power data are a valuable but as yet under-utilised resource that could be used to characterise global irradiance with unprecedented spatio-temporal resolution. The resulting knowledge of atmospheric conditions can then be fed back into weather models and will ultimately serve to improve forecasts of PV power itself. This provides a data-driven alternative to statistical methods that use post-processing to overcome inconsistencies between ground-based irradiance measurements and the corresponding predictions of regional weather models (see for instance Frank et al., 2018). This work reports first results from an algorithm developed to infer global horizontal irradiance as well as atmospheric optical properties such as aerosol or cloud optical depth from PV power measurements.
In this study, we investigate the thermo-mechanical relaxation and crystallization behavior of polyethylene using mesoscale molecular dynamics simulations. Our models specifically mimic constraints that occur in real-life polymer processing: After strong uniaxial stretching of the melt, we quench and release the polymer chains at different loading conditions. These conditions allow for free or hindered shrinkage, respectively. We present the shrinkage and swelling behavior as well as the crystallization kinetics over up to 600 ns simulation time. We are able to precisely evaluate how the interplay of chain length, temperature, local entanglements and orientation of chain segments influences crystallization and relaxation behavior. From our models, we determine the temperature dependent crystallization rate of polyethylene, including crystallization onset temperature.