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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.
Qualitätsverbesserung und Zeitersparnis bei der Stipendienvergabe durch automatisierten Workflow
(2013)
Für die Vergabe der Deutschlandstipendien hatte die Hochschule anfangs ein Verfahren festgelegt, das viel manuelle Arbeitsschritte umfasst: Die Studierenden hatten ihre Bewerbungsunterlagen schriftlich einzureichen. Dazu gehörten neben einem Motivationsschreiben, einem Ausdruck des aktuellen Notenspiegels alle weiteren Referenzen zur Einschätzung der Bewerbung gemäß den gesetzlichen Auswahlkriterien. Als Grundlage zur Bewertung der „sozialen Kriterien“ sollten die Bewerberinnen und Bewerber ein Gutachten eines Professors oder einer Professorin der Hochschule einholen.
Das AD 2000-Regelwerk ist der dominierende Standard für den Druckbehälterbau in Deutschland. Die bereits in anderen europäischen Ländern verbreitete DIN EN 13445 findet kaum Berücksichtigung. Dies allerdings zu Unrecht, denn ein aktueller Vergleich, der im Rahmen einer Bachelorarbeit durchgeführte wurde, zeigt: Die EN 13445 ist zu einer echten Alternative gereift. Gerade das Hauptargument gegen eine Umstellung, die steigenden Kosten, ist längst überholt.
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.
Das sogenannte „Deutschlandstipendium“ ist 2010 ins Leben gerufen worden. Gemäß den gesetzlichen Vorgaben sollen die Stipendien nach Begabung und Leistung vergeben werden. Darüber hinaus sollen auch gesellschaftliches Engagement oder besondere soziale, familiäre oder persönliche Umstände berücksichtigt werden. Bei der Finanzierung sind die Hochschulen zunächst auf das Einwerben privater Fördermittel angewiesen, die von Bund und Land um denselben Betrag aufgestockt werden. Die privaten Mittelgeber können für die von ihnen anteilig finanzierten Stipendien festlegen, aus welchen Studiengängen ihre Stipendiaten ausgewählt werden sollen. Die Hochschulen haben jedoch darauf zu achten, dass ein Drittel aller zu vergebenden Stipendien ohne eine entsprechende Zweckbindung vergeben werden. Einen direkten Einfluss auf die Auswahl einzelner Kandidaten dürfen die Förderer nicht haben. Vor diesem Hintergrund sind die Hochschulen angehalten, Anreize für private Förderer zu schaffen und parallel Bewerbungs- und Auswahlverfahren zu konzipieren, die die genannten gesetzlichen Vorgaben einhalten. Dadurch entsteht bei den Hochschulen ein erheblicher Verwaltungsaufwand. Zu dessen Reduzierung wird in diesem Artikel ein transparenter, nachvollziehbarer, zeit- und kostensparender Prozess durch einen programmierten Workflow beschrieben.
Das Thema Prozessorganisation hat die gfo in den letzten Jahren intensiv begleitet und auf mehreren Tagungen eingehend diskutiert. Um den aktuellen Umsetzungsstand der Prozessorganisation in Deutschland zu untersuchen wurde im Jahr 2014 eine empirische Studie durchgeführt. Neben der Ist-Situation liefert die Studie Einsichten in Erwartungen über zukünftige Entwicklungen, Hindernisse und Erfolgsfaktoren der Einführung einer Prozessorganisation sowie zur Zielerreichung durch prozessorientierte Organisationen.
Polyether and polyether/ester based TPU (thermoplastic polyurethanes) were investigated with wide-angle XRD (X-ray diffraction) and SAXS (small angle X-ray scattering). Furthermore, SAXS measurements were performed in the temperature range of 30 °C to 130 °C. Polyether based polymers exhibit only one broad diffraction signal in a region of 2 θ 15° to 25°. In case of polyurethanes with ether/ester modification, the broad diffraction signal arises with small sharp diffraction signals. SAXS measurements of polymers reveal the size and shape of the crystalline zones of the polymer. Between 30 °C and 130 °C the size of the crystalline zone changes significantly. The size decreases in most of investigated TPU. In the case of Desmopan 9365D an increase of the particle size was observed.
Solar energy is one option to serve the rising global energy demand with low environmental Impact [1]. Building an energy system with a considerable share of solar power requires long-term investment and a careful investigation of potential sites. Therefore, understanding the impacts from varying regionally and locally determined meteorological conditions on solar energy production will influence energy yield projections. Clouds are moving on a short term timescale and have a high influence on the available solar radiation, as they absorb, reflect and scatter parts of the incoming light [2]. However, modeling photovoltaic (PV) power yields with a spectral resolution and local cloud information gives new insights on the atmospheric impact on solar energy.
Solar energy is one option to serve the rising global energy demand with low environmental impact.1 Building an energy system with a considerable share of solar power requires long-term investment and a careful investigation of potential sites. Therefore, understanding the impacts from varying regionally and locally determined meteorological conditions on solar energy production will influence energy yield projections. Clouds are moving on a short term timescale and have a high influence on the available solar radiation, as they absorb, reflect and scatter parts of the incoming light.2 However, the impact of cloudiness on photovoltaic power yields (PV) and cloud induced deviations from average yields might vary depending on the technology, location and time scale under consideration.
Wireless sensor networks are widely used in a variety of fields including industrial environments. In case of a clustered network the location of cluster head affects the reliability of the network operation. Finding of the optimum location of the cluster head, therefore, is critical for the design of a network. This paper discusses the optimisation approach, based on the brute force algorithm, in the context of topology optimisation of a cluster structure centralised wireless sensor network. Two examples are given to verify the approach that demonstrate the implementation of the brute force algorithm to find an optimum location of the cluster head.
Reliable and regional differentiated power forecasts are required to guarantee an efficient and economic energy transition towards renewable energies. Amongst other renewable energy technologies, e.g. wind mills, photovoltaic systems are an essential component of this transition being cost-efficient and simply to install. Reliable power forecasts are however required for a grid integration of photovoltaic systems, which among other data requires high-resolution spatio-temporal global irradiance data. Hence the generation of robust reviewed global irradiance data is an essential contribution for the energy transition.
Tierexperimentell konnte nachgewiesen werden, dass spezifische Ionenkanäle (vor allem TRPA1) des nozizeptiven Systems nachhaltig durch die Exposition mit blauem Licht moduliert werden können. Durch Nachweis der Wirksamkeit von nicht-visuellen Effekten einer Lichtexposition auf Somatosensorik und Nozizeption beim Menschen könnte der Einsatz einer Lichttherapie bei Patienten mit Erkrankungen des somatosensorischen Systems, insbesondere neuropathischen Schmerzen, von großer Bedeutung sein.
Reliable and regional differentiated power forecasts are required to guarantee an efficient and economic energy transition towards renewable energies. Amongst other renewable energy technologies, e.g. wind mills, photovoltaic (PV) systems are an essential component of this transition being cost-efficient and simply to install. Reliable power forecasts are however required for a grid integration of photovoltaic systems, which among other data requires high-resolution spatio-temporal global irradiance data.
Solar energy is one option to serve the rising global energy demand with low environmental impact. Building an energy system with a considerable share of solar power requires long-term investment and a careful investigation of potential sites. Therefore, understanding the impacts from varying regionally and locally determined meteorological conditions on solar energy production will influence energy yield projections.
Impact of atmospheric aerosols on photovoltaic energy production - Scenario for the Sahel zone
(2017)
Photovoltaic (PV) energy is one option to serve the rising global energy need with low environmental impact. PV is of particular interest for local energy solutions in developing countries prone to high solar insolation. In order to assess the PV potential of prospective sites, combining knowledge of the atmospheric state modulating solar radiation and the PV performance is necessary. The present study discusses the PV power as function of atmospheric aerosols in the Sahel zone for clear-sky-days. Daily yields for a polycrystalline silicon PV module are reduced by up to 48 % depending on the climatologically-relevant aerosol abundances.
Today, more than 70 million tons of lignin are produced by the pulp and paper industry every year. However, the utilization of lignin as a source for chemical synthesis is still limited due to the complex and heterogeneous lignin structure. The purpose of this study was a selective photodegradation of industrially available kraft lignin in order to obtain appropriate fragments and building block chemicals for further utilization, e.g. polymerization. Thus, kraft lignin obtained from soft wood black liquor by acidification was dissolved in sodium hydroxide and irradiated at a wavelength of 254 nm with and without the presence of titanium dioxide in various concentrations. Analyses of the irradiated products via SEC showed decreasing molar masses and decreasing polydispersity indices over time. At the end of the irradiation period the lignin was depolymerised to form fragments as small as the lignin monomers. TOC analyses showed minimal mineralisation due to the depolymerisation process.
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).
TREE Jahresbericht 2017
(2018)
Knapp fünf Jahre nach Gründung als Fachbereichsinstitut und zwei Jahre nach Verankerung als zentrale wissenschaftliche Einrichtung der Hochschule präsentieren wir - nicht ganz ohne Stolz - den ersten Jahresbericht des Instituts TREE. Er 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. TREE ist weiterhin ein im Aufbruch begriffenes Institut, aber gerade das Jahr 2017 zeigt auch, dass wir uns schon in der Wissenschaftslandkarte einen Namen machen konnten: nach NaWETec konnte mit dem Themenkomplex "Effiziente Transportalternativen" ein zweiter Forschungsschwerpunkt drittmittelgefördert etabliert werden. Erste Promotionen im Rahmen des TREE konnten erfolgreich abgeschlossen und interessante Nachwuchswissenschaftler für "FHKarrierewege" gewonnen werden.
The use of wearable devices or “wearables” in the physical activity domain has been increasing in the last years. These devices are used as training tools providing the user with detailed information about individual physiological responses and feedback to the physical training process. Advantages in sensor technology, miniaturization, energy consumption and processing power increased the usability of these wearables. Furthermore, available sensor technologies must be reliable, valid, and usable. Considering the variety of the existing sensors not all of them are suitable to be integrated in wearables. The application and development of wearables has to consider the characteristics of the physical training process to improve the effectiveness and efficiency as training tools. During physical training, it is essential to elicit individual optimal strain to evoke the desired adjustments to training. One important goal is to neither overstrain nor under challenge the user. Many wearables use heart rate as indicator for this individual strain. However, due to a variety of internal and external influencing factors, heart rate kinetics are highly variable making it difficult to control the stress eliciting individually optimal strain. For optimal training control it is essential to model and predict individual responses and adapt the external stress if necessary. Basis for this modeling is the valid and reliable recording of these individual responses. Depending on the heart rate kinetics and the obtained physiological data, different models and techniques are available that can be used for strain or training control. Aim of this review is to give an overview of measurement, prediction, and control of individual heart rate responses. Therefore, available sensor technologies measuring the individual heart rate responses are analyzed and approaches to model and predict these individual responses discussed. Additionally, the feasibility for wearables is analyzed.
Solar energy plants are one of the key options to serve the rising global energy need with low environmental impact. Aerosols reduce global solar radiation due to absorption and scattering and therewith solar energy yields. Depending on the aerosol composition and size distribution they reduce the direct component of the solar radiation and modify the direction of the diffuse component compared to standard atmospheric conditions without aerosols.
Antioxidant activity is an essential feature required for oxygen-sensitive merchandise and goods, such as food and corresponding packaging as well as materials used in cosmetics and biomedicine. For example, vanillin, one of the most prominent antioxidants, is fabricated from lignin, the second most abundant natural polymer in the world. Antioxidant potential is primarily related to the termination of oxidation propagation reactions through hydrogen transfer. The application of technical lignin as a natural antioxidant has not yet been implemented in the industrial sector, mainly due to the complex heterogeneous structure and polydispersity of lignin. Thus, current research focuses on various isolation and purification strategies to improve the compatibility of lignin material with substrates and enhancing its stabilizing effect.
Antioxidant activity is an essential aspect of oxygen-sensitive merchandise and goods, such as food and corresponding packaging, cosmetics, and biomedicine. Technical lignin has not yet been applied as a natural antioxidant, mainly due to the complex heterogeneous structure and polydispersity of lignin. This report presents antioxidant capacity studies completed using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay. The influence of purification on lignin structure and activity was investigated. The purification procedure showed that double-fold selective extraction is the most efficient (confirmed by ultraviolet-visible (UV/Vis), Fourier transform infrared (FTIR), heteronuclear single quantum coherence (HSQC) and 31P nuclear magnetic resonance spectroscopy, size exclusion chromatography, and X-ray diffraction), resulting in fractions of very narrow polydispersity (3.2⁻1.6), up to four distinct absorption bands in UV/Vis spectroscopy. Due to differential scanning calorimetry measurements, the glass transition temperature increased from 123 to 185 °C for the purest fraction. Antioxidant capacity is discussed regarding the biomass source, pulping process, and degree of purification. Lignin obtained from industrial black liquor are compared with beech wood samples: antioxidant activity (DPPH inhibition) of kraft lignin fractions were 62⁻68%, whereas beech and spruce/pine-mixed lignin showed values of 42% and 64%, respectively. Total phenol content (TPC) of the isolated kraft lignin fractions varied between 26 and 35%, whereas beech and spruce/pine lignin were 33% and 34%, respectively. Storage decreased the TPC values but increased the DPPH inhibition.
Polyurethane (PU) coatings were successfully produced using unmodified kraft lignin (KL) as an environmentally benign component in contents of up to 80 wt%. Lignin samples were precipitated from industrial black liquor in aqueous solution working at room temperature and different pH levels (pH 2 to pH 5). Lignins were characterized by UV-Vis, FTIR, pyrolysis-GC/MS, SEC and 31P-NMR. Results show a correlation between pH level, OH number and molecular weight Mw of isolated lignins. Lignin-based polyurethane coatings were prepared in an efficient one step synthesis dissolving lignin in THF and PEG425 in an ultrasonic bath followed by addition of 4,4-diphenylmethanediisocyanate (MDI) and triethylamine (TEA). Crosslinking was achieved under very mild conditions (1 hour at room temperature followed by 3 hours at 35 °C). The resulting coatings were characterized regarding their physical properties including ATR-IR, TGA, optical contact angle, light microscopy, REM-EDX and AFM data. Transparent homogeneous films of high flexibility resulted from lignins isolated at pH 4, possessing a temperature resistance up to 160 °C. Swelling tests revealed a resistance against water. Swelling in DMSO depends on index, pH of precipitation and catalyst utilization for PU preparation. According to AFM studies, surface roughness is between 10 and 28 nm.
Renewable resources gain increasing interest as source for environmentally benign biomaterials, such as drug encapsulation/release compounds, and scaffolds for tissue engineering in regenerative medicine. Being the second largest naturally abundant polymer, the interest in lignin valorization for biomedical utilization is rapidly growing. Depending on resource and isolation procedure, lignin shows specific antioxidant and antimicrobial activity. Today, efforts in research and industry are directed toward lignin utilization as renewable macromolecular building block for the preparation of polymeric drug encapsulation and scaffold materials. Within the last five years, remarkable progress has been made in isolation, functionalization and modification of lignin and lignin-derived compounds. However, literature so far mainly focuses lignin-derived fuels, lubricants and resins. The purpose of this review is to summarize the current state of the art and to highlight the most important results in the field of lignin-based materials for potential use in biomedicine (reported in 2014–2018). Special focus is drawn on lignin-derived nanomaterials for drug encapsulation and release as well as lignin hybrid materials used as scaffolds for guided bone regeneration in stem cell-based therapies.
Renewable resources are gaining increasing interest as a source for environmentally benign biomaterials, such as drug encapsulation/release compounds, and scaffolds for tissue engineering in regenerative medicine. Being the second largest naturally abundant polymer, the interest in lignin valorization for biomedical utilization is rapidly growing. Depending on its resource and isolation procedure, lignin shows specific antioxidant and antimicrobial activity. Today, efforts in research and industry are directed toward lignin utilization as a renewable macromolecular building block for the preparation of polymeric drug encapsulation and scaffold materials. Within the last five years, remarkable progress has been made in isolation, functionalization and modification of lignin and lignin-derived compounds. However, the literature so far mainly focuses lignin-derived fuels, lubricants and resins. The purpose of this review is to summarize the current state of the art and to highlight the most important results in the field of lignin-based materials for potential use in biomedicine (reported in 2014⁻2018). Special focus is placed on lignin-derived nanomaterials for drug encapsulation and release as well as lignin hybrid materials used as scaffolds for guided bone regeneration in stem cell-based therapies.
Bei Thymian (Thymus vulgaris) handelt es sich um eine sehr varietätenreiche Art, die aufgrund ihres Gehaltes an therapeutisch wirksamen Inhaltsstoffen als Arzneipflanze monographiert ist. Insbesondere das ätherische Öl mit dem Hauptbestandteil Thymol (ca. 50%) hat eine hohe antioxidative Wirkung. Ziel ist es, dieses Potential als nachhaltig produzierte Additive zu nutzen. Hierfür eignen sich antioxidativ bzw. antimikrobiell wirksame sowie UV-absorbierende Substanzen, die das Produkt bei Zusatz vor oxidativem Stress, mikrobiellem Abbau und Qualitätsverlust schützen.
Hierzu werden zunächst sechs Varianten auf verschiedene Parameter analysiert, um die potenteste Variante auszuwählen. Auf diese Variante wird sich die weitere Forschung konzentrieren.
Daher wird das ätherische Öl durch azeotrope Destillation extrahiert und mittels GCMS analysiert. In Extrakten werden zudem das AP und Absorptionsverhalten bestimmt. Auch die chemische Zusammensetzung des Extrakts sowie die flüchtigen Stoffe des Thymians werden untersucht. Generell gibt es wenig qualitative, teilweise jedoch quantitative Unterschiede: Eine Variante weist u.a. einen deutlich höheren Thymolgehalt im Öl (ca. 65 %) und ein hohes hydrophiles AP auf. Somit ist eine vielversprechende Variante für die weitere Entwicklung und Optimierung bioaktiver Additive gefunden.
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.
TREE Jahresbericht 2018
(2019)
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.
In mathematical modeling by means of performance models, the Fitness-Fatigue Model (FF-Model) is a common approach in sport and exercise science to study the training performance relationship. The FF-Model uses an initial basic level of performance and two antagonistic terms (for fitness and fatigue). By model calibration, parameters are adapted to the subject’s individual physical response to training load. Although the simulation of the recorded training data in most cases shows useful results when the model is calibrated and all parameters are adjusted, this method has two major difficulties. First, a fitted value as basic performance will usually be too high. Second, without modification, the model cannot be simply used for prediction. By rewriting the FF-Model such that effects of former training history can be analyzed separately – we call those terms preload – it is possible to close the gap between a more realistic initial performance level and an athlete's actual performance level without distorting other model parameters and increase model accuracy substantially. Fitting error of the preload-extended FF-Model is less than 32% compared to the error of the FF-Model without preloads. Prediction error of the preload-extended FF-Model is around 54% of the error of the FF-Model without preloads.
Atmospheric aerosols affect the power production of solar energy systems. Their impact depends on both the atmospheric conditions and the solar technology employed. By being a region with a lack in power production and prone to high solar insolation, West Africa shows high potential for the application of solar power systems. However, dust outbreaks, containing high aerosol loads, occur especially in the Sahel, located between the Saharan desert in the north and the Sudanian Savanna in the south. They might affect the whole region for several days with significant effects on power generation. This study investigates the impact of atmospheric aerosols on solar energy production for the example year 2006 making use of six well instrumented sites in West Africa. Two different solar power technologies, a photovoltaic (PV) and a parabolic through (PT) power plant, are considered. The daily reduction of solar power due to aerosols is determined over mostly clear-sky days in 2006 with a model chain combining radiative transfer and technology specific power generation. For mostly clear days the local daily reduction of PV power (at alternating current) (PVAC) and PT power (PTP) due to the presence of aerosols lies between 13 % and 22 % and between 22 % and 37 %, respectively. In March 2006 a major dust outbreak occurred, which serves as an example to investigate the impact of an aerosol extreme event on solar power. During the dust outbreak, daily reduction of PVAC and PTP of up to 79 % and 100 % occur with a mean reduction of 20 % to 40 % for PVAC and of 32 % to 71 % for PTP during the 12 days of the event.
This study presents a microindentation system which allows spatially resolved local as well as bulk viscoelastic material information to be obtained within one instrument. The microindentation method was merged with dynamic mechanical analysis (DMA) for a tungsten cone indenter. Three tungsten cone indenters were investigated: tungsten electrode, tungsten electrode + 2% lanthanum, and tungsten electrode + rare earth elements. Only the tungsten electrode + 2% lanthanum indenter showed the sinusoidal response, and its geometry remained unaffected by the repeated indentations. Complex moduli obtained from dynamic microindentation for high-density polyethylene, polybutylene terephthalate, polycarbonate, and thermoplastic polyurethane are in agreement with the literature. Additionally, by implementing a specially developed x-y-stage, this study showed that dynamic microindentation with a tungsten cone indenter was an adequate method to determine spatially resolved local viscoelastic surface properties.
Healing of large bone defects requires implants or scaffolds that provide structural guidance for cell growth, differentiation, and vascularization. In the present work, an agarose-hydroxyapatite composite scaffold was developed that acts not only as a 3D matrix, but also as a release system. Hydroxyapatite (HA) was incorporated into the agarose gels in situ in various ratios by a simple procedure consisting of precipitation, cooling, washing, and drying. The resulting gels were characterized regarding composition, porosity, mechanical properties, and biocompatibility. A pure phase of carbonated HA was identified in the scaffolds, which had pore sizes of up to several hundred micrometers. Mechanical testing revealed elastic moduli of up to 2.8 MPa for lyophilized composites. MTT testing on Lw35human mesenchymal stem cells (hMSCs) and osteosarcoma MG-63 cells proved the biocompatibility of the scaffolds. Furthermore, scaffolds were loaded with model drug compounds for guided hMSC differentiation. Different release kinetic models were evaluated for adenosine 5′-triphosphate (ATP) and suramin, and data showed a sustained release behavior over four days.
Due to global ecological and economic challenges that have been correlated to the transition from fossil-based to renewable resources, fundamental studies are being performed worldwide to replace fossil fuel raw materials in plastic production. One aspect of current research is the development of lignin-derived polyols to substitute expensive fossil-based polyol components for polyurethane and polyester production. This article describes the synthesis of bioactive lignin-based polyurethane coatings using unmodified and demethylated Kraft lignins. Demethylation was performed to enhance the reaction selectivity toward polyurethane formation. The antimicrobial activity was tested according to a slightly modified standard test (JIS Z 2801:2010). Besides effects caused by the lignins themselves, triphenylmethane derivatives (brilliant green and crystal violet) were used as additional antimicrobial substances. Results showed increased antimicrobial capacity against Staphylococcus aureus. Furthermore, the coating color could be varied from dark brown to green and blue, respectively.
Lignocellulose feedstock (LCF) provides a sustainable source of components to produce bioenergy, biofuel, and novel biomaterials. Besides hard and soft wood, so-called low-input plants such as Miscanthus are interesting crops to be investigated as potential feedstock for the second generation biorefinery. The status quo regarding the availability and composition of different plants, including grasses and fast-growing trees (i.e., Miscanthus, Paulownia), is reviewed here. The second focus of this review is the potential of multivariate data processing to be used for biomass analysis and quality control. Experimental data obtained by spectroscopic methods, such as nuclear magnetic resonance (NMR) and Fourier-transform infrared spectroscopy (FTIR), can be processed using computational techniques to characterize the 3D structure and energetic properties of the feedstock building blocks, including complex linkages. Here, we provide a brief summary of recently reported experimental data for structural analysis of LCF biomasses, and give our perspectives on the role of chemometrics in understanding and elucidating on LCF composition and lignin 3D structure.
The antiradical and antimicrobial activity of lignin and lignin-based films are both of great interest for applications such as food packaging additives. The polyphenolic structure of lignin in addition to the presence of O-containing functional groups is potentially responsible for these activities. This study used DPPH assays to discuss the antiradical activity of HPMC/lignin and HPMC/lignin/chitosan films. The scavenging activity (SA) of both binary (HPMC/lignin) and ternary (HPMC/lignin/chitosan) systems was affected by the percentage of the added lignin: the 5% addition showed the highest activity and the 30% addition had the lowest. Both scavenging activity and antimicrobial activity are dependent on the biomass source showing the following trend: organosolv of softwood > kraft of softwood > organosolv of grass. Testing the antimicrobial activities of lignins and lignin-containing films showed high antimicrobial activities against Gram-positive and Gram-negative bacteria at 35 °C and at low temperatures (0-7 °C). Purification of kraft lignin has a negative effect on the antimicrobial activity while storage has positive effect. The lignin release in the produced films affected the activity positively and the chitosan addition enhances the activity even more for both Gram-positive and Gram-negative bacteria. Testing the films against spoilage bacteria that grow at low temperatures revealed the activity of the 30% addition on HPMC/L1 film against both B. thermosphacta and P. fluorescens while L5 was active only against B. thermosphacta. In HPMC/lignin/chitosan films, the 5% addition exhibited activity against both B. thermosphacta and P. fluorescens.
Bioinspired stem cell-based hard tissue engineering includes numerous aspects: The synthesis and fabrication of appropriate scaffold materials, their analytical characterization, and guided osteogenesis using the sustained release of osteoinducing and/or osteoconducting drugs for mesenchymal stem cell differentiation, growth, and proliferation. Here, the effect of silicon- and silicate-containing materials on osteogenesis at the molecular level has been a particular focus within the last decade. This review summarizes recently published scientific results, including material developments and analysis, with a special focus on silicon hybrid bone composites. First, the sources, bioavailability, and functions of silicon on various tissues are discussed. The second focus is on the effects of calcium-silicate biomineralization and corresponding analytical methods in investigating osteogenesis and bone formation. Finally, recent developments in the manufacturing of Si-containing scaffolds are discussed, including in vitro and in vivo studies, as well as recently filed patents that focus on the influence of silicon on hard tissue formation.
Miscanthus x giganteus Stem Versus Leaf-Derived Lignins Differing in Monolignol Ratio and Linkage
(2019)
As a renewable, Miscanthus offers numerous advantages such as high photosynthesis activity (as a C4 plant) and an exceptional CO2 fixation rate. These properties make Miscanthus very attractive for industrial exploitation, such as lignin generation. In this paper, we present a systematic study analyzing the correlation of the lignin structure with the Miscanthus genotype and plant portion (stem versus leaf). Specifically, the ratio of the three monolignols and corresponding building blocks as well as the linkages formed between the units have been studied. The lignin amount has been determined for M. x giganteus (Gig17, Gig34, Gig35), M. nagara (NagG10), M. sinensis (Sin2), and M. robustus (Rob4) harvested at different time points (September, December, and April). The influence of the Miscanthus genotype and plant component (leaf vs. stem) has been studied to develop corresponding structure-property relationships (i.e., correlations in molecular weight, polydispersity, and decomposition temperature). Lignin isolation was performed using non-catalyzed organosolv pulping and the structure analysis includes compositional analysis, Fourier transform infradred (FTIR), ultraviolet/visible (UV-Vis), hetero-nuclear single quantum correlation nuclear magnetic resonsnce (HSQC-NMR), thermogravimetric analysis (TGA), and pyrolysis gaschromatography/mass spectrometry (GC/MS). Structural differences were found for stem and leaf-derived lignins. Compared to beech wood lignins, Miscanthus lignins possess lower molecular weight and narrow polydispersities (<1.5 Miscanthus vs. >2.5 beech) corresponding to improved homogeneity. In addition to conventional univariate analysis of FTIR spectra, multivariate chemometrics revealed distinct differences for aromatic in-plane deformations of stem versus leaf-derived lignins. These results emphasize the potential of Miscanthus as a low-input resource and a Miscanthus-derived lignin as promising agricultural feedstock.
Bone tissue engineering is an ever-changing, rapidly evolving, and highly interdisciplinary field of study, where scientists try to mimic natural bone structure as closely as possible in order to facilitate bone healing. New insights from cell biology, specifically from mesenchymal stem cell differentiation and signaling, lead to new approaches in bone regeneration. Novel scaffold and drug release materials based on polysaccharides gain increasing attention due to their wide availability and good biocompatibility to be used as hydrogels and/or hybrid components for drug release and tissue engineering. This article reviews the current state of the art, recent developments, and future perspectives in polysaccharide-based systems used for bone regeneration.
Background: To protect renewable packaging materials against autoxidation and decomposition when substituting harmful synthetic stabilizers with bioactive and bio-based compounds, extracts from Aesculus hippocastanum L. seeds were evaluated. The study objectives were to determine the antioxidant efficacy of bioactive compounds in horse chestnut seeds with regard to different seed fractions, improve their extraction, and to evaluate waste reuse. Methods: Different extraction techniques for field samples were evaluated and compared with extracts of industrial waste samples based on total phenolic content and total antioxidant capacity (2,2’-azino-bis(3-ethylbenzthiazoline-6-sulphonic acid) (ABTS)). The molecular weight distribution and absorbance in ultraviolet range (UV) of seed coat extracts were determined, and the possibility of extracts containing proanthocyanidins was examined. Results: Seed coat extracts show a remarkable antioxidant activity and a high UV absorbance. Passive extractions are efficient and much less laborious. Applying waste product seed coats leads to a reduced antioxidant activity, total phenolic content, and UV absorbance compared to the field sample counterparts. In contrast to peeled seed extracts, all seed coat extracts contain proanthocyanidins. Discussion: Seed coats are a potential source of bioactive compounds, particularly regarding sustainable production and waste reuse. With minimum effort, highly bioactive extracts with high potential as additives can be prepared.
Scratch assays enable the study of the migration process of an injured adherent cell layer in vitro. An apparatus for the reproducible performance of scratch assays and cell harvesting has been developed that meets the requirements for reproducibility in tests as well as easy handling. The entirely autoclavable setup is divided into a sample translation and a scratching system. The translational system is compatible with standard culture dishes and can be modified to adapt to different cell culture systems, while the scratching system can be adjusted according to angle, normal force, shape, and material to adapt to specific questions and demanding substrates. As a result, a fully functional prototype can be presented. This system enables the creation of reproducible and clear scratch edges with a low scratch border roughness within a monolayer of cells. Moreover, the apparatus allows the collection of the migrated cells after scratching for further molecular biological investigations without the need for a second processing step. For comparison, the mechanical properties of manually performed scratch assays are evaluated.
Am Beispiel einer jahrelang in Präsenz gelehrten Veranstaltung mit Vorlesungen, Übungen und Laborpraktika wird gezeigt, wie die Vermittlung prüfungsrelevanter Kompetenzen auch „online“ gelang. Das passende „Setting“ des Lehr- und Lernprozesses unter Beachtung von Handlungsempfehlungen ist auch für die Zukunft relevant.
The development of metals tailored to the metallurgical conditions of laser-based additive manufacturing is crucial to advance the maturity of these materials for their use in structural applications. While efforts in this regard are being carried out around the globe, the use of high strength eutectic alloys have, so far, received minor attention, although previous works showed that rapid solidification techniques can result in ultrafine microstructures with excellent mechanical performance, albeit for small sample sizes. In the present work, a eutectic Ti-32.5Fe alloy has been produced by laser powder bed fusion aiming at exploiting rapid solidification and the capability to produce bulk ultrafine microstructures provided by this processing technique.
Process energy densities between 160 J/mm³ and 180 J/mm³ resulted in a dense and crack-free material with an oxygen content of ~ 0.45 wt.% in which a hierarchical microstructure is formed by µm-sized η-Ti4Fe2Ox dendrites embedded in an ultrafine eutectic β-Ti/TiFe matrix. The microstructure was studied three-dimensionally using near-field synchrotron ptychographic X-ray computed tomography with an actual spatial resolution down to 39 nm to analyse the morphology of the eutectic and dendritic structures as well as to quantify their mass density, size and distribution. Inter-lamellar spacings down to ~ 30–50 nm were achieved, revealing the potential of laser-based additive manufacturing to generate microstructures smaller than those obtained by classical rapid solidification techniques for bulk materials. The alloy was deformed at 600 °C under compressive loading up to a strain of ~ 30% without damage formation, resulting in a compressive yield stress of ~ 800 MPa.
This study provides a first demonstration of the feasibility to produce eutectic Ti-Fe alloys with ultrafine microstructures by laser powder bed fusion that are suitable for structural applications at elevated temperature.
Computers can help us to trigger our intuition about how to solve a problem. But how does a computer take into account what a user wants and update these triggers? User preferences are hard to model as they are by nature vague, depend on the user’s background and are not always deterministic, changing depending on the context and process under which they were established. We pose that the process of preference discovery should be the object of interest in computer aided design or ideation. The process should be transparent, informative, interactive and intuitive. We formulate Hyper-Pref, a cyclic co-creative process between human and computer, which triggers the user’s intuition about what is possible and is updated according to what the user wants based on their decisions. We combine quality diversity algorithms, a divergent optimization method that can produce many, diverse solutions, with variational autoencoders to both model that diversity as well as the user’s preferences, discovering the preference hypervolume within large search spaces.
The motor protein myosin drives a wide range of cellular and muscular functions by generating directed movement and force, fueled through adenosine triphosphate (ATP) hydrolysis. Release of the hydrolysis product adenosine diphosphate (ADP) is a fundamental and regulatory process during force production. However, details about the molecular mechanism accompanying ADP release are scarce due to the lack of representative structures. Here we solved a novel blebbistatin-bound myosin conformation with critical structural elements in positions between the myosin pre-power stroke and rigor states. ADP in this structure is repositioned towards the surface by the phosphate-sensing P-loop, and stabilized in a partially unbound conformation via a salt-bridge between Arg131 and Glu187. A 5 Å rotation separates the mechanical converter in this conformation from the rigor position. The crystallized myosin structure thus resembles a conformation towards the end of the two-step power stroke, associated with ADP release. Computationally reconstructing ADP release from myosin by means of molecular dynamics simulations further supported the existence of an equivalent conformation along the power stroke that shows the same major characteristics in the myosin motor domain as the resolved blebbistatin-bound myosin-II·ADP crystal structure, and identified a communication hub centered on Arg232 that mediates chemomechanical energy transduction.
The temperature of photovoltaic modules is modelled as a dynamic function of ambient temperature, shortwave and longwave irradiance and wind speed, in order to allow for a more accurate characterisation of their efficiency. A simple dynamic thermal model is developed by extending an existing parametric steady-state model using an exponential smoothing kernel to include the effect of the heat capacity of the system. The four parameters of the model are fitted to measured data from three photovoltaic systems in the Allgäu region in Germany using non-linear optimisation. The dynamic model reduces the root-mean-square error between measured and modelled module temperature to 1.58 K on average, compared to 3.03 K for the steady-state model, whereas the maximum instantaneous error is reduced from 20.02 to 6.58 K.
This work thoroughly investigates a semi-Lagrangian lattice Boltzmann (SLLBM) solver for compressible flows. In contrast to other LBM for compressible flows, the vertices are organized in cells, and interpolation polynomials up to fourth order are used to attain the off-vertex distribution function values. Differing from the recently introduced Particles on Demand (PoD) method , the method operates in a static, non-moving reference frame. Yet the SLLBM in the present formulation grants supersonic flows and exhibits a high degree of Galilean invariance. The SLLBM solver allows for an independent time step size due to the integration along characteristics and for the use of unusual velocity sets, like the D2Q25, which is constructed by the roots of the fifth-order Hermite polynomial. The properties of the present model are shown in diverse example simulations of a two-dimensional Taylor-Green vortex, a Sod shock tube, a two-dimensional Riemann problem and a shock-vortex interaction. It is shown that the cell-based interpolation and the use of Gauss-Lobatto-Chebyshev support points allow for spatially high-order solutions and minimize the mass loss caused by the interpolation. Transformed grids in the shock-vortex interaction show the general applicability to non-uniform grids.
AErOmAt Abschlussbericht
(2020)
Das Projekt AErOmAt hatte zum Ziel, neue Methoden zu entwickeln, um einen erheblichen Teil aerodynamischer Simulationen bei rechenaufwändigen Optimierungsdomänen einzusparen. Die Hochschule Bonn-Rhein-Sieg (H-BRS) hat auf diesem Weg einen gesellschaftlich relevanten und gleichzeitig wirtschaftlich verwertbaren Beitrag zur Energieeffizienzforschung geleistet. Das Projekt führte außerdem zu einer schnelleren Integration der neuberufenen Antragsteller in die vorhandenen Forschungsstrukturen.
Turbulent compressible flows are traditionally simulated using explicit Eulerian time integration applied to the Navier-Stokes equations. However, the associated Courant-Friedrichs-Lewy condition severely restricts the maximum time step size. Exploiting the Lagrangian nature of the Boltzmann equation's material derivative, we now introduce a feasible three-dimensional semi-Lagrangian lattice Boltzmann method (SLLBM), which elegantly circumvents this restriction. Previous lattice Boltzmann methods for compressible flows were mostly restricted to two dimensions due to the enormous number of discrete velocities needed in three dimensions. In contrast, this Rapid Communication demonstrates how cubature rules enhance the SLLBM to yield a three-dimensional velocity set with only 45 discrete velocities. Based on simulations of a compressible Taylor-Green vortex we show that the new method accurately captures shocks or shocklets as well as turbulence in 3D without utilizing additional filtering or stabilizing techniques, even when the time step sizes are up to two orders of magnitude larger compared to simulations in the literature. Our new method therefore enables researchers for the first time to study compressible turbulent flows by a fully explicit scheme, whose range of admissible time step sizes is only dictated by physics, while being decoupled from the spatial discretization.
This paper addresses long-term historical changes in solar irradiance in West Africa (3 to 20° N and 20° W to 16° E) and the implications for photovoltaic systems. Here, we use satellite irradiance (Surface Solar Radiation Data Set – Heliosat, Edition 2.1 – SARAH-2.1) and temperature data from a reanalysis (ERA5) to derive photovoltaic yields. Based on 35 years of data (1983–2017), the temporal and regional variability as well as long-term trends in global and direct horizontal irradiance are analyzed. Furthermore, a detailed time series analysis is undertaken at four locations. According to the high spatial resolution SARAH-2.1 data record (0.05°×0.05°), solar irradiance is largest (up to a 300 W m−2 daily average) in the Sahara and the Sahel zone with a positive trend (up to 5 W m−2 per decade) and a lower temporal variability (<75 W m−2 between 1983 and 2017 for daily averages). In contrast, the solar irradiance is lower in southern West Africa (between 200 W m−2 and 250 W m−2) with a negative trend (up to −5 W m−2 per decade) and a higher temporal variability (up to 150 W m−2). The positive trend in the north is mostly connected to the dry season, whereas the negative trend in the south occurs during the wet season. Both trends show 95 % significance. Photovoltaic (PV) yields show a strong meridional gradient with the lowest values of around 4 kWh kWp−1 in southern West Africa and values of more than 5.5 kWh kWp−1 in the Sahara and Sahel zone.
Long-term variability of solar irradiance and its implications for photovoltaic power in West Africa
(2020)
West Africa is one of the least developed regions in the world regarding the energy availability and energy security. Located close to the equator West Africa receives high amounts of global horizontal irradiance (GHI). Thus, solar power and especially photovoltaic (PV) systems seem to be a promising solution to provide electricity with low environmental impact. To plan and to dimension a PV power system climatological data for global horizontal irradiance (GHI) and its variability need to be taken into account. However, ground based measurements of irradiances are not available continuously and cover only a few discrete locations.
Background: Coniferous woods (Abies nordmanniana (Stev.) Spach, Abies procera Rehd, Picea abies (L.) H.Karst, and Picea pungens Engelm.) could contain useful secondary metabolites to produce sustainable packaging materials, e.g., by substitution of harmful petrol-based additives in plastic packaging. This study aims to characterise the antioxidant and light-absorbing properties and ingredients of different coniferous wood extracts with regard to different plant fragments and drying conditions. Furthermore, the valorisation of used Christmas trees is evaluated. Methods: Different drying and extraction techniques were applied with the extracts being characterised by determining the total phenolic content (TPC), total antioxidant capacity (TAC), and absorbance in the ultraviolet range (UV). Gas chromatography coupled with mass spectrometry (GC-MS) and an acid–butanol assay (ABA) were used to characterise the extract constituents. Results: All the extracts show a considerably high UV absorbance while interspecies differences did occur. All the fresh and some of the dried biomass extracts reached utilisable TAC and TPC values. A simplified extraction setup for industrial application is evaluated; comparable TAC results could be reached with modifications. Conclusion: Coniferous woods are a promising renewable resource for preparation of sustainable antioxidants and photostabilisers. This particularly applies to Christmas trees used for up to 12 days. After extraction, the biomass can be fully valorised by incorporation in paper packaging.
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.
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.
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 clear-sky radiative effect of aerosol-radiation interactions is of relevance for our understanding of the climate system. The influence of aerosol on the surface energy budget is of high interest for the renewable energy sector. In this study, the radiative effect is investigated in particular with respect to seasonal and regional variations for the region of Germany and the year 2015 at the surface and top of atmosphere using two complementary approaches.
First, an ensemble of clear-sky models which explicitly consider aerosols is utilized to retrieve the aerosol optical depth and the surface direct radiative effect of aerosols by means of a clear sky fitting technique. For this, short-wave broadband irradiance measurements in the absence of clouds are used as a basis. A clear sky detection algorithm is used to identify cloud free observations. Considered are measurements of the shortwave broadband global and diffuse horizontal irradiance with shaded and unshaded pyranometers at 25 stations across Germany within the observational network of the German Weather Service (DWD). Clear sky models used are MMAC, MRMv6.1, METSTAT, ESRA, Heliosat-1, CEM and the simplified Solis model. The definition of aerosol and atmospheric characteristics of the models are examined in detail for their suitability for this approach.
Second, the radiative effect is estimated using explicit radiative transfer simulations with inputs on the meteorological state of the atmosphere, trace-gases and aerosol from CAMS reanalysis. The aerosol optical properties (aerosol optical depth, Ångström exponent, single scattering albedo and assymetrie parameter) are first evaluated with AERONET direct sun and inversion products. The largest inconsistency is found for the aerosol absorption, which is overestimated by about 0.03 or about 30 % by the CAMS reanalysis. Compared to the DWD observational network, the simulated global, direct and diffuse irradiances show reasonable agreement within the measurement uncertainty. The radiative kernel method is used to estimate the resulting uncertainty and bias of the simulated direct radiative effect. The uncertainty is estimated to −1.5 ± 7.7 and 0.6 ± 3.5 W m−2 at the surface and top of atmosphere, respectively, while the annual-mean biases at the surface, top of atmosphere and total atmosphere are −10.6, −6.5 and 4.1 W m−2, respectively.
The retrieval of the aerosol radiative effect with the clear sky models shows a high level of agreement with the radiative transfer simulations, with an RMSE of 5.8 W m−2 and a correlation of 0.75. The annual mean of the REari at the surface for the 25 DWD stations shows a value of −12.8 ± 5 W m−2 as average over the clear sky models, compared to −11 W m−2 from the radiative transfer simulations. Since all models assume a fixed aerosol characterisation, the annual cycle of the aerosol radiation effect cannot be reproduced. Out of this set of clear sky models, the largest level of agreement is shown by the ESRA and MRMv6.1 models.
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.
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.
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.
Turbulent compressible flows are traditionally simulated using explicit time integrators applied to discretized versions of the Navier-Stokes equations. However, the associated Courant-Friedrichs-Lewy condition severely restricts the maximum time-step size. Exploiting the Lagrangian nature of the Boltzmann equation’s material derivative, we now introduce a feasible three-dimensional semi-Lagrangian lattice Boltzmann method (SLLBM), which circumvents this restriction. While many lattice Boltzmann methods for compressible flows were restricted to two dimensions due to the enormous number of discrete velocities in three dimensions, the SLLBM uses only 45 discrete velocities. Based on compressible Taylor-Green vortex simulations we show that the new method accurately captures shocks or shocklets as well as turbulence in 3D without utilizing additional filtering or stabilizing techniques other than the filtering introduced by the interpolation, even when the time-step sizes are up to two orders of magnitude larger compared to simulations in the literature. Our new method therefore enables researchers to study compressible turbulent flows by a fully explicit scheme, whose range of admissible time-step sizes is dictated by physics rather than spatial discretization.
Animal models are often needed in cancer research but some research questions may be answered with other models, e.g., 3D replicas of patient-specific data, as these mirror the anatomy in more detail. We, therefore, developed a simple eight-step process to fabricate a 3D replica from computer tomography (CT) data using solely open access software and described the method in detail. For evaluation, we performed experiments regarding endoscopic tumor treatment with magnetic nanoparticles by magnetic hyperthermia and local drug release. For this, the magnetic nanoparticles need to be accumulated at the tumor site via a magnetic field trap. Using the developed eight-step process, we printed a replica of a locally advanced pancreatic cancer and used it to find the best position for the magnetic field trap. In addition, we described a method to hold these magnetic field traps stably in place. The results are highly important for the development of endoscopic tumor treatment with magnetic nanoparticles as the handling and the stable positioning of the magnetic field trap at the stomach wall in close proximity to the pancreatic tumor could be defined and practiced. Finally, the detailed description of the workflow and use of open access software allows for a wide range of possible uses.
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.
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.
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 the research project "MetPVNet", both, the forecast-based operation management in distribution grids and as well as the forecasts of the feed-in of PV-power from decentralized plants could be improved on the basis of satellite data and numerical weather forecasts. Based on a detailed network analyses for a real medium-voltage grid area, it was shown that both – the integration of forecast data based on satellite and weather data and the improvement of subsequent day forecasts based on numerical weather models – have a significant added value for forecast-based congestion management or redispatch and reactive power management in the distribution grid. Furthermore, forecast improvements for the forecast model of the German Weather Service were achieved by assimilating visible satellite imagery, and cloud and radiation products from satellites were improved, thus improving the database for short-term forecasting as well as for assimilation. In addition, several methods have been developed that will enable forecast improvement in the future, especially for weather situations with high cloud induced variability and high forecast errors. This article summarizes the most important project results.
Anhand detaillierter Netzanalysen für ein reales Mittelspannungsnetzgebiet konnte gezeigt werden, dass sowohl die Einbindung von Prognosedaten auf Basis von Satelliten und Wetterdaten, als auch die Verbesserung von Folgetagsprognosen auf der Basis numerischer Wettermodelle einen deutlichen Mehrwert für ein prognosebasiertes Engpassmanagement bzw. Redispatch und Blindleistungsmanagement im Verteilnetz aufweisen. Auch Kurzfristprognosen auf der Basis von Satellitendaten haben einen positiven Effekt. Ein weiterer wichtiger Mehrwert des Projektes ist auch die Rückmeldung der kritischen Prognosesituationen aus Sicht der Anwendungsfälle, so dass wie bereits im Projekt gezeigt und darüber hinaus, Prognosen zielgerichteter auf die Anwendung im Verteilnetzbetrieb ausgelegt und optimiert werden können.
Weiterhin konnten Prognoseverbesserungen für das Vorhersagemodell des Deutschen Wetterdienstes durch die Assimilation von sichtbaren Satellitenbildern erreicht werden. Darüber hinaus wurden Wolken- und Strahlungsprodukte aus Satelliten verbessert und somit die Datenbasis für die Kurzfristprognose als auch für die Assimilation.
Darüber hinaus wurden verschiedene Methoden entwickelt, die zukünftig zu einer weiteren Prognoseverbesserung, insbesondere für Wettersituationen mit hohen Prognosefehlern, führen könnten. Solche Situationen wurden aus Sicht des Netzbetriebs und mithilfe von satellitenbasierten Analysen der Gesamtwetterlage für die Perioden der MetPVNet Messkampagnen identifiziert. Hierbei handelte es sich insbesondere um Situationen mit starker oder stark wechselhafter Bewölkung.
Für die MetPVNet Messkampagnen wurde auf der Basis eines Trainingsdatensatzes und in Abhängigkeit der Variabilitätsklasse die Abweichung der bodennahen Einstrahlung von Satellitendaten oder von Strahlungsprognosen quantifiziert. Diese Art der Informationen bietet zukünftig die Möglichkeit zur Bewertung der Prognosegüte.
The clear-sky radiative effect of aerosol–radiation interactions is of relevance for our understanding of the climate system. The influence of aerosol on the surface energy budget is of high interest for the renewable energy sector. In this study, the radiative effect is investigated in particular with respect to seasonal and regional variations for the region of Germany and the year 2015 at the surface and top of atmosphere using two complementary approaches.
First, an ensemble of clear-sky models which explicitly consider aerosols is utilized to retrieve the aerosol optical depth and the surface direct radiative effect of aerosols by means of a clear-sky fitting technique. For this, short-wave broadband irradiance measurements in the absence of clouds are used as a basis. A clear-sky detection algorithm is used to identify cloud-free observations. Considered are measurements of the short-wave broadband global and diffuse horizontal irradiance with shaded and unshaded pyranometers at 25 stations across Germany within the observational network of the German Weather Service (DWD). The clear-sky models used are the Modified MAC model (MMAC), the Meteorological Radiation Model (MRM) v6.1, the Meteorological–Statistical solar radiation model (METSTAT), the European Solar Radiation Atlas (ESRA), Heliosat-1, the Center for Environment and Man solar radiation model (CEM), and the simplified Solis model. The definition of aerosol and atmospheric characteristics of the models are examined in detail for their suitability for this approach.
Second, the radiative effect is estimated using explicit radiative transfer simulations with inputs on the meteorological state of the atmosphere, trace gases and aerosol from the Copernicus Atmosphere Monitoring Service (CAMS) reanalysis. The aerosol optical properties (aerosol optical depth, Ångström exponent, single scattering albedo and asymmetry parameter) are first evaluated with AERONET direct sun and inversion products. The largest inconsistency is found for the aerosol absorption, which is overestimated by about 0.03 or about 30 % by the CAMS reanalysis. Compared to the DWD observational network, the simulated global, direct and diffuse irradiances show reasonable agreement within the measurement uncertainty. The radiative kernel method is used to estimate the resulting uncertainty and bias of the simulated direct radiative effect. The uncertainty is estimated to −1.5 ± 7.7 and 0.6 ± 3.5 W m−2 at the surface and top of atmosphere, respectively, while the annual-mean biases at the surface, top of atmosphere and total atmosphere are −10.6, −6.5 and 4.1 W m−2, respectively.
The retrieval of the aerosol radiative effect with the clear-sky models shows a high level of agreement with the radiative transfer simulations, with an RMSE of 5.8 W m−2 and a correlation of 0.75. The annual mean of the REari at the surface for the 25 DWD stations shows a value of −12.8 ± 5 W m−2 as the average over the clear-sky models, compared to −11 W m−2 from the radiative transfer simulations. Since all models assume a fixed aerosol characterization, the annual cycle of the aerosol radiation effect cannot be reproduced. Out of this set of clear-sky models, the largest level of agreement is shown by the ESRA and MRM v6.1 models.
Introduction: Chronic pain is a frequent severe disease and often associated with anxiety, depression, insomnia, disability, and reduced quality of life. This maladaptive condition is further characterized by sensory loss, hyperalgesia, and allodynia. Blue light has been hypothesized to modulate sensory neurons and thereby influence nociception.
Objectives: Here, we compared the effects of blue light vs red light and thermal control on pain sensation in a human experimental pain model.
Methods: Pain, hyperalgesia, and allodynia were induced in 30 healthy volunteers through high-density transcutaneous electrical stimulation. Subsequently, blue light, red light, or thermal control treatment was applied in a cross-over design. The nonvisual effects of the respective light treatments were examined using a well-established quantitative sensory testing protocol. Somatosensory parameters as well as pain intensity and quality were scored.
Results: Blue light substantially reduced spontaneous pain as assessed by numeric rating scale pain scoring. Similarly, pain quality was significantly altered as assessed by the German counterpart of the McGill Pain Questionnaire. Furthermore, blue light showed antihyperalgesic, antiallodynic, and antihypesthesic effects in contrast to red light or thermal control treatment.
Conclusion: Blue-light phototherapy ameliorates pain intensity and quality in a human experimental pain model and reveals antihyperalgesic, antiallodynic, and antihypesthesic effects. Therefore, blue-light phototherapy may be a novel approach to treat pain in multiple conditions.
Design of a Medium Voltage Generator with DC-Cascade for High Power Wind Energy Conversion Systems
(2021)
This paper shows a new concept to generate medium voltage (MV) in wind power application to avoid an additional transformer. Therefore, the generator must be redesigned with additional constraints and a new topology for the power rectifier system by using multiple low voltage (LV) power rectifiers connected in series and parallel to increase the DC output voltage. The combination of parallel and series connection of rectifiers is further introduced as DC-cascade. With the resulting DC-cascade, medium output voltage is achieved with low voltage rectifiers and without a bulky transformer. This approach to form a DC-cascade reduces the effort required to achieve medium DC voltage with a simple rectifier system. In this context, a suitable DC-cascade control was presented and verified with a laboratory test setup. A gearless synchronous generator, which is highly segmented so that each segment can be connected to its own power rectifier, is investigated. Due to the mixed AC and DC voltage given by the DC-cascade structure, it becomes more demanding to the design of the generator insulation, which influences the copper fill factor and the design of the cooling system. A design strategy for the overall generator design is carried out considering the new boundary conditions.
Ghana suffers from frequent power outages, which can be compensated by off-grid energy solutions. Photovoltaic-hybrid systems become more and more important for rural electrification due to their potential to offer a clean and cost-effective energy supply. However, uncertainties related to the prediction of electrical loads and solar irradiance result in inefficient system control and can lead to an unstable electricity supply, which is vital for the high reliability required for applications within the health sector. Model predictive control (MPC) algorithms present a viable option to tackle those uncertainties compared to rule-based methods, but strongly rely on the quality of the forecasts. This study tests and evaluates (a) a seasonal autoregressive integrated moving average (SARIMA) algorithm, (b) an incremental linear regression (ILR) algorithm, (c) a long short-term memory (LSTM) model, and (d) a customized statistical approach for electrical load forecasting on real load data of a Ghanaian health facility, considering initially limited knowledge of load and pattern changes through the implementation of incremental learning. The correlation of the electrical load with exogenous variables was determined to map out possible enhancements within the algorithms. Results show that all algorithms show high accuracies with a median normalized root mean square error (nRMSE) <0.1 and differing robustness towards load-shifting events, gradients, and noise. While the SARIMA algorithm and the linear regression model show extreme error outliers of nRMSE >1, methods via the LSTM model and the customized statistical approaches perform better with a median nRMSE of 0.061 and stable error distribution with a maximum nRMSE of <0.255. The conclusion of this study is a favoring towards the LSTM model and the statistical approach, with regard to MPC applications within photovoltaic-hybrid system solutions in the Ghanaian health sector.
In contrast to the German power supply, the energy supply in many West African countries is very unstable. Frequent power outages are not uncommon. Especially for critical infrastructures, such as hospitals, a stable power supply is vital. To compensate for the power outages, diesel generators are often used. In the future, these systems will increasingly be supplemented by PV systems and storage, so that the generator will have to be used less or not at all when needed. For the design and operation of such systems, it is necessary to better understand the atmospheric variability of PV power generation. For example, there are large variations between rainy and dry seasons, between days with high and low dust levels - caused by sandstorms (harmattan) or urban air pollution.
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.
The analysis of used engine oils from industrial engines enables the study of engine wear and oil degradation in order to evaluate the necessity of oil changes. As the matrix composition of an engine oil strongly depends on its intended application, meaningful diagnostic oil analyses bear considerable challenges. Owing to the broad spectrum of available oil matrices, we have evaluated the applicability of using an internal standard and/or preceding sample digestion for elemental analysis of used engine oils via inductively coupled plasma optical emission spectroscopy (ICP OES). Elements originating from both wear particles and additives as well as particle size influence could be clearly recognized by their distinct digestion behaviour. While a precise determination of most wear elements can be achieved in oily matrix, the measurement of additives is performed preferably after sample digestion. Considering a dataset of physicochemical parameters and elemental composition for several hundred used engine oils, we have further investigated the feasibility of predicting the identity and overall condition of an unknown combustion engine using the machine learning system XGBoost. A maximum accuracy of 89.6% in predicting the engine type was achieved, a mean error of less than 10% of the observed timeframe in predicting the oil running time and even less than 4% for the total engine running time, based purely on common oil check data. Furthermore, obstacles and possibilities to improve the performance of the machine learning models were analysed and the factors that enabled the prediction were explored with SHapley Additive exPlanation (SHAP). Our results demonstrate that both the identification of an unknown engine as well as a lifetime assessment can be performed for a first estimation of the actual sample without requiring meticulous documentation.
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 promotion of sustainable packaging is part of the European Green Deal and plays a key role in the EU’s social and political strategy. One option is the use of renewable resources and biomass waste as raw materials for polymer production. Lignocellulose biomass from annual and perennial industrial crops and agricultural residues are a major source of polysaccharides, proteins, and lignin and can also be used to obtain plant-based extracts and essential oils. Therefore, these biomasses are considered as potential substitute for fossil-based resources. Here, the status quo of bio-based polymers is discussed and evaluated in terms of properties related to packaging applications such as gas and water vapor permeability as well as mechanical properties. So far, their practical use is still restricted due to lower performance in fundamental packaging functions that directly influence food quality and safety, the length of shelf life, and thus the amount of food waste. Besides bio-based polymers, this review focuses on plant extracts as active packaging agents. Incorporating extracts of herbs, flowers, trees, and their fruits is inevitable to achieve desired material properties that are capable to prolong the food shelf life. Finally, the adoption potential of packaging based on polymers from renewable resources is discussed from a bioeconomy perspective.
Off-lattice Boltzmann methods increase the flexibility and applicability of lattice Boltzmann methods by decoupling the discretizations of time, space, and particle velocities. However, the velocity sets that are mostly used in off-lattice Boltzmann simulations were originally tailored to on-lattice Boltzmann methods. In this contribution, we show how the accuracy and efficiency of weakly and fully compressible semi-Lagrangian off-lattice Boltzmann simulations is increased by velocity sets derived from cubature rules, i.e. multivariate quadratures, which have not been produced by the Gauß-product rule. In particular, simulations of 2D shock-vortex interactions indicate that the cubature-derived degree-nine D2Q19 velocity set is capable to replace the Gauß-product rule-derived D2Q25. Likewise, the degree-five velocity sets D3Q13 and D3Q21, as well as a degree-seven D3V27 velocity set were successfully tested for 3D Taylor–Green vortex flows to challenge and surpass the quality of the customary D3Q27 velocity set. In compressible 3D Taylor–Green vortex flows with Mach numbers on-lattice simulations with velocity sets D3Q103 and D3V107 showed only limited stability, while the off-lattice degree-nine D3Q45 velocity set accurately reproduced the kinetic energy provided by literature.
Different analyses and feasibility studies have been conducted on the plant extracts of thyme (Thymus vulgaris), European horse chestnut (Aesculus hippocastanum), Nordmann fir (Abies nordmanniana), and snowdrop (Galanthus elwesii) to evaluate bio‐based alternatives to common petrol‐based stabilisers. For this purpose, in this study, plant extracts were incorporated into poly‐lactic acid films (PLA) at different concentrations. The films’ UV absorbance and migration into packed food was analysed via photometric assays (ABTS radical cation scavenging capacity assay, β‐carotene assay) and GC–MS analysis. Furthermore, the synergistic antioxidant effects of various combinations of extracts and isolated active compounds were determined. This way, antioxidant effects can be increased, allowing for a highly effective use of resources. All extracts were successfully incorporated into PLA films and showed notable photoabsorbing effects, while no migration risk was observed. Depending on extract combinations, high synergistic effects of up to 726% can be utilised to improve the effectiveness of bio‐based extracts. This applies particularly to tomato paste and Aesculus hippocastanum extracts, which overall show high synergistic and antioxidant effects in combination with each other and with isolated active compounds. The study shows that it is possible to create safe bio‐based antioxidant films which show even improved properties when using highlighted target combinations.
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.
Modeling of Creep Behavior of Particulate Composites with Focus on Interfacial Adhesion Effect
(2022)
Evaluation of creep compliance of particulate composites using empirical models always provides parameters depending on initial stress and material composition. The effort spent to connect model parameters with physical properties has not resulted in success yet. Further, during the creep, delamination between matrix and filler may occur depending on time and initial stress, reducing an interface adhesion and load transfer to filler particles. In this paper, the creep compliance curves of glass beads reinforced poly(butylene terephthalate) composites were fitted with Burgers and Findley models providing different sets of time-dependent model parameters for each initial stress. Despite the finding that the Findley model performs well in a primary creep, the Burgers model is more suitable if secondary creep comes into play; they allow only for a qualitative prediction of creep behavior because the interface adhesion and its time dependency is an implicit, hidden parameter. As Young’s modulus is a parameter of these models (and the majority of other creep models), it was selected to be introduced as a filler content-dependent parameter with the help of the cube in cube elementary volume approach of Paul. The analysis led to the time-dependent creep compliance that depends only on the time-dependent creep of the matrix and the normalized particle distance (or the filler volume content), and it allowed accounting for the adhesion effect. Comparison with the experimental data confirmed that the elementary volume-based creep compliance function can be used to predict the realistic creep behavior of particulate composites.
While many proteins are known clients of heat shock protein 90 (Hsp90), it is unclear whether the transcription factor, thyroid hormone receptor beta (TRb), interacts with Hsp90 to control hormonal perception and signaling. Higher Hsp90 expression in mouse fibroblasts was elicited by the addition of triiodothyronine (T3). T3 bound to Hsp90 and enhanced adenosine triphosphate (ATP) binding of Hsp90 due to a specific binding site for T3, as identified by molecular docking experiments. The binding of TRb to Hsp90 was prevented by T3 or by the thyroid mimetic sobetirome. Purified recombinant TRb trapped Hsp90 from cell lysate or purified Hsp90 in pull-down experiments. The affinity of Hsp90 for TRb was 124 nM. Furthermore, T3 induced the release of bound TRb from Hsp90, which was shown by streptavidin-conjugated quantum dot (SAv-QD) masking assay. The data indicate that the T3 interaction with TRb and Hsp90 may be an amplifier of the cellular stress response by blocking Hsp90 activity.
This paper explores the role of artificial intelligence (AI) in elite sports. We approach the topic from two perspectives. Firstly, we provide a literature based overview of AI success stories in areas other than sports. We identified multiple approaches in the area of Machine Perception, Machine Learning and Modeling, Planning and Optimization as well as Interaction and Intervention, holding a potential for improving training and competition. Secondly, we discover the present status of AI use in elite sports. Therefore, in addition to another literature review, we interviewed leading sports scientist, which are closely connected to the main national service institute for elite sports in their countries. The analysis of this literature review and the interviews show that the most activity is carried out in the methodical categories of signal and image processing. However, projects in the field of modeling & planning have become increasingly popular within the last years. Based on these two perspectives, we extract deficits, issues and opportunities and summarize them in six key challenges faced by the sports analytics community. These challenges include data collection, controllability of an AI by the practitioners and explainability of AI results.
Microarray-based experiments revealed that thyroid hormone triiodothyronine (T3) enhanced the binding of Cy5-labeled ATP on heat shock protein 90 (Hsp90). By molecular docking experiments with T3 on Hsp90, we identified a T3 binding site (TBS) near the ATP binding site on Hsp90. A synthetic peptide encoding HHHHHHRIKEIVKKHSQFIGYPITLFVEKE derived from the TBS on Hsp90 showed, in MST experiments, the binding of T3 at an EC50 of 50 μM. The binding motif can influence the activity of Hsp90 by hindering ATP accessibility or the release of ADP.
Process-induced changes in the morphology of biodegradable polybutylene adipate terephthalate (PBAT) and polylactic acid (PLA) blends modified with various multifunctional chainextending cross-linkers (CECLs) are presented. The morphology of unmodified and modified films produced with blown film extrusion is examined in an extrusion direction (ED) and a transverse direction (TD). While FTIR analysis showed only small peak shifts indicating that the CECLs modify the molecular weight of the PBAT/PLA blend, SEM investigations of the fracture surfaces of blown extrusion films revealed their significant effect on the morphology formed during the processing. Due to the combined shear and elongation deformation during blown film extrusion, rather spherical PLA islands were partly transformed into long fibrils, which tended to decay to chains of elliptical islands if cooled slowly. The CECL introduction into the blend changed the thickness of the PLA fibrils, modified the interface adhesion, and altered the deformation behavior of the PBAT matrix from brittle to ductile. The results proved that CECLs react selectively with PBAT, PLA, and their interface. Furthermore, the reactions of CECLs with PBAT/PLA induced by the processing depended on the deformation directions (ED and TD), thus resulting in further non-uniformities of blown extrusion films.
In her recent article, Bender discusses several aspects of research–practice–collaborations (RPCs). In this commentary, we apply Bender's arguments to experiences in engineering research and development (R&D). We investigate the influence of interaction with practice partners on relevance, credibility, and legitimacy in the special engineering field of product development and analyze which methodological approaches are already being pursued for dealing with diverging interests and asymmetries and which steps will be necessary to include interests of civil society beyond traditional customer relations.
Novel methods for contingency analysis of gas transport networks are presented. They are motivated by the transition of our energy system where hydrogen plays a growing role. The novel methods are based on a specific method for topological reduction and so-called supernodes. Stationary Euler equations with advanced compressor thermodynamics and a gas law allowing for gas compositions with up to 100% hydrogen are used. Several measures and plots support an intuitive comparison and analysis of the results. In particular, it is shown that the newly developed methods can estimate locations and magnitudes of additional capacities (injection, buffering, storage etc.) with a reasonable performance for networks of relevant composition and size.
The cube in cube approach was used by Paul and Ishai-Cohen to model and derive formulas for filler content dependent Young's moduli of particle filled composites assuming perfect filler matrix adhesion. Their formulas were chosen because of their simplicity, and recalculated using an elementary volume approach which transforms spherical inclusions to cubic inclusions. The EV approach led to expression of the composites moduli that allows introducing an adhesion factor kadh ranging from 0 and 1 to take into account reduced filler matrix adhesion. This adhesion factor scales the edge length of the cubic inclusions, thus reducing the stress transfer area between matrix and filler. Fitting the experimental data with the modified Paul model provides reasonable kadh for PA66, PBT, PP, PE-LD and BR which are in line with their surface energies. Further analysis showed that stiffening only occurs if kadh exceeds [Formula: see text] and depends on the ratio of matrix modulus and filler modulus. The modified model allows for a quick calculation of any particle filled composites for known matrix modulus EM, filler modulus EF, filler volume content vF and adhesion factor kadh. Thus, finite element analysis (FEA) simulations of any particle filled polymer parts as well as materials selection are significantly eased. FEA of cubic and hexagonal EV arrangements show that stress distributions within the EV exhibit more shear stresses if one deviates from the cubic arrangement. At high filler contents the assumption that the property of the EV is representative for the whole composite, holds only for filler volume contents up to 15 or 20% (corresponding to 30 to 40 weight %). Thus, for vast majority of commercially available particulate composites, the modified model can be applied. Furthermore, this indicates that the cube in cube approach reaches two limits: (i) the occurrence of increasing shear stresses at filler contents above 20% due to deviations of EV arrangements or spatial filler distribution from cubic arrangements (singular), and (ii) increasing interaction between particles with the formation of particle network within the matrix violating the EV assumption of their homogeneous dispersion.
This study investigates the initial stage of the thermo-mechanical crystallization behavior for uni- and biaxially stretched polyethylene. The models are based on a mesoscale molecular dynamics approach. We take constraints that occur in real-life polymer processing into account, especially with respect to the blowing stage of the extrusion blow-molding process. For this purpose, we deform our systems using a wide range of stretching levels before they are quenched. We discuss the effects of the stretching procedures on the micro-mechanical state of the systems, characterized by entanglement behavior and nematic ordering of chain segments. For the cooling stage, we use two different approaches which allow for free or hindered shrinkage, respectively. During cooling, crystallization kinetics are monitored: We precisely evaluate how the interplay of chain length, temperature, local entanglements and orientation of chain segments influence crystallization behavior. Our models reveal that the main stretching direction dominates microscopic states of the different systems. We are able to show that crystallization mainly depends on the (dis-)entanglement behavior. Nematic ordering plays a secondary role.
The utilization of simulation procedures is gaining increasing attention in the product development of extrusion blow molded parts. However, some simulation steps, like the simulation of shrinkage and warpage, are still associated with uncertainties. The reason for this is on the one hand a lack of standardized interfaces for the transfer of simulation data between different simulation tools, and on the other hand the complex time-, temperature- and process-dependent material behavior of the used semi crystalline polymers. Using a new vendor neutral interface standard for the data transfer, the shrinkage analysis of a simple blow molded part is investigated and compared to experimental data. A linear viscoelastic material model in combination with an orthotropic process- and temperature-dependent thermal expansion coefficient is used for the shrinkage prediction. A good agreement is observed. Finally, critical parameters in the simulation models that strongly influence the shrinkage analysis are identified by a sensitivity study.
Jet engines of airplanes are designed such that in some components damage occurs and accumulates in service without being critical up to a certain level of damage. Since maintenance, repair, and component exchange are very cost-intensive, it is necessary to predict efficiently the component lifetime with high accuracy. A former developed lifetime model, based on interpolated results of aerodynamic and structural mechanics simulations, uses material parameters estimated from literature values of standard creep experiments. For improved accuracy, an experimental procedure is developed for the characterization of the short-time creep behavior, which is relevant for the operation of turbine blades of jet engines. To consider microstructural influences resulting from the manufacturing of thin-walled single crystal turbine blades, small-scale specimens from used turbine blades are extracted and tested in short- and medium-time creep experiments. Based on experimental results and literature values, a creep model, which describes the fracture behavior for a wide range of creep loads, is calibrated and is now used for the lifetime prediction of turbine blades under real loading conditions.
In this paper, a gas-to-power (GtoP) system for power outages is digitally modeled and experimentally developed. The design includes a solid-state hydrogen storage system composed of TiFeMn as a hydride forming alloy (6.7 kg of alloy in five tanks) and an air-cooled fuel cell (maximum power: 1.6 kW). The hydrogen storage system is charged under room temperature and 40 bar of hydrogen pressure, reaching about 110 g of hydrogen capacity. In an emergency use case of the system, hydrogen is supplied to the fuel cell, and the waste heat coming from the exhaust air of the fuel cell is used for the endothermic dehydrogenation reaction of the metal hydride. This GtoP system demonstrates fast, stable, and reliable responses, providing from 149 W to 596 W under different constant as well as dynamic conditions. A comprehensive and novel simulation approach based on a network model is also applied. The developed model is validated under static and dynamic power load scenarios, demonstrating excellent agreement with the experimental results.
West Africa has great potential for the use of solar energy systems, as it has both a high solar radiation rate and a lack of energy production. West Africa is a very aerosol-rich region, whose effects on photovoltaic (PV) use are due to both atmospheric conditions and existing solar technology. This study reports the variability of aerosol optical properties in the city of Koforidua, Ghana over the period 2016 to 2020, and their impact on the radiation intensity and efficiency of a PV cell. The study used AERONET ground (Giles et al., 2019) and satellite data produced by CAMS (Gschwind, et al., 2019), which both provide aerosol optical depth (AOD) and metrological parameters used for radiative transfer calculations with libRadtran (Emde, et al., 2016). A spectrally resolved PV model (Herman-Czezuch et al., 2022) is then used to calculate the PV yield of two PV technologies: polycrystalline and amorphous silicon. It is observed that for both data sets, the aerosol is mainly composed of dust and organic matter, with a very increased AOD load during the harmattan period (December-February), also due to the fires observed during this period.
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.
Approximately 45% of global greenhouse gas emissions are caused by the construction and use of buildings. Thermal insulation of buildings in the current context of climate change is a well-known strategy to improve the energy efficiency of buildings. The development of renewable insulation material can overcome the drawbacks of widely used insulation systems based on polystyrene or mineral wool. This study analyzes the sustainability and thermal conductivity of new insulation materials made of Miscanthus x giganteus fibers, foaming agents, and alkali-activated fly ash binder. Life cycle assessments (LCA) are necessary to perform benchmarking of environmental impacts of new formulations of geopolymer-based insulation materials. The global warming potential (GWP) of the product is primarily determined by the main binder component sodium silicate. Sodium silicate's CO2 emissions depend on local production, transportation, and energy consumption. The results, which have been published during recent years, vary in a wide range from 0.3 kg to 3.3 kg CO2-eq. kg-1. The overall GWP of the insulation system based on Miscanthus fibers, with properties according to current thermal insulation regulations, reaches up to 95% savings of CO2 emissions compared to conventional systems. Carbon neutrality can be achieved through formulations containing raw materials with carbon dioxide emissions and renewable materials with negative GWP, thus balancing CO2 emissions.
Characterization methods of pressure sensitive adhesives (PSA) originate from technical bonding and do not cover relevant data for the development and quality assurance of medical applications, where PSA with flexible backing layers are adopted to human skin. In this study, a new method called RheoTack is developed to determine (mechanically and optically) an adhesion and detaching behavior of flexible and transparent PSA based patches. Transdermal therapeutic systems (TTS) consisting of silicone-based PSAs on a flexible and transparent backing layer were tested on a rotational rheometer with an 8 mm plate as a probe rod at retraction speeds of 0.01, 0.1, and 1 mm/s with respect to their adhesion and detaching behavior in terms of force-retraction displacement curves. The curves consist of a compression phase to affirm wetting; a tensile deformation phase intercepting stretching, cavity, and fibril formation; and a failure phase with detaching. Their analysis provides values for stiffness, force, and displacement of the beginning of fibril formation, force and displacement of the beginning of a failure due to fibril breakage and detaching, as well as corresponding activation energies. All these parameters exhibit the pronounced dependency on the retraction speed. The force-retraction displacement curves together with the simultaneous video recordings of the TTS deformation from three different angles (three cameras) provide deeper insight into the deformation processes and allow for interpreting the properties’ characteristics for PSA applications.
This paper investigates the effect of voltage sensors on the measurement of transient voltages for power semiconductors in a Double Pulse Test (DPT) environment.We adapt previously published models that were developed for current sensors and apply them to voltage sensors to evaluate their suitability for DPT applications. Similarities and differences between transient current and voltage sensors are investigated and the resulting methodology is applied to commercially available and experimental voltage sensors. Finally, a selection aid for given measurement tasks is derived that focuses on the measurement of fast-switching power semiconductors.
Bonding wires made of aluminum are the most used materials for the transmission of electrical signals in power electronic devices. During operation, different cyclic mechanical and thermal stresses can lead to fatigue loads and a failure of the bonding wires. A prediction or prevention of the wire failure is not yet possible by design for all cases. The following work presents meaningful fatigue tests in small wire dimensions and investigates the influence of the R-ratio on the lifetime of two different aluminum wires with a diameter of 300 μm each. The experiments show very reproducible fatigue results with ductile failure behavior. The endurable stress amplitude decreases linearly with an increasing stress ratio, which can be displayed by a Smith diagram, even though the applied maximum stresses exceed the initial yield stresses determined by tensile tests. A scaling of the fatigue results by the tensile strength indicates that the fatigue level is significantly influenced by the strength of the material. Due to the very consistent findings, the development of a generalized fatigue model for predicting the lifetime of bonding wires with an arbitrary loading situation seems to be possible and will be further investigated.
Intention: Within the research project EnerSHelF (Energy-Self-Sufficiency for Health Facilities in Ghana), i. a. energy-meteorological and load-related measurement data are collected, for which an overview of the availability is to be presented on a poster.
Context: In Ghana, the total electricity consumed has almost doubled between 2008 and 2018 according to the Energy Commission of Ghana. This goes along with an unstable power grid, resulting in power outages whenever electricity consumption peaks. The blackouts called "dumsor" in Ghana, pose a severe burden to the healthcare sector. Innovative solutions are needed to reduce greenhouse gas emissions and improve energy and health access.
The accurate forecasting of solar radiation plays an important role for predictive control applications for energy systems with a high share of photovoltaic (PV) energy. Especially off-grid microgrid applications using predictive control applications can benefit from forecasts with a high temporal resolution to address sudden fluctuations of PV-power. However, cloud formation processes and movements are subject to ongoing research. For now-casting applications, all-sky-imagers (ASI) are used to offer an appropriate forecasting for aforementioned application. Recent research aims to achieve these forecasts via deep learning approaches, either as an image segmentation task to generate a DNI forecast through a cloud vectoring approach to translate the DNI to a GHI with ground-based measurement (Fabel et al., 2022; Nouri et al., 2021), or as an end-to-end regression task to generate a GHI forecast directly from the images (Paletta et al., 2021; Yang et al., 2021). While end-to-end regression might be the more attractive approach for off-grid scenarios, literature reports increased performance compared to smart-persistence but do not show satisfactory forecasting patterns (Paletta et al., 2021). This work takes a step back and investigates the possibility to translate ASI-images to current GHI to deploy the neural network as a feature extractor. An ImageNet pre-trained deep learning model is used to achieve such translation on an openly available dataset by the University of California San Diego (Pedro et al., 2019). The images and measurements were collected in Folsom, California. Results show that the neural network can successfully translate ASI-images to GHI for a variety of cloud situations without the need of any external variables. Extending the neural network to a forecasting task also shows promising forecasting patterns, which shows that the neural network extracts both temporal and momentarily features within the images to generate GHI forecasts.
The electricity grid of the future will be built on renewable energy sources, which are highly variable and dependent on atmospheric conditions. In power grids with an increasingly high penetration of solar photovoltaics (PV), an accurate knowledge of the incoming solar irradiance is indispensable for grid operation and planning, and reliable irradiance forecasts are thus invaluable for energy system operators. In order to better characterise shortwave solar radiation in time and space, data from PV systems themselves can be used, since the measured power provides information about both irradiance and the optical properties of the atmosphere, in particular the cloud optical depth (COD). Indeed, in the European context with highly variable cloud cover, the cloud fraction and COD are important parameters in determining the irradiance, whereas aerosol effects are only of secondary importance.