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Integrating physical simulation data into data ecosystems challenges the compatibility and interoperability of data management tools. Semantic web technologies and relational databases mostly use other data types, such as measurement or manufacturing design data. Standardizing simulation data storage and harmonizing the data structures with other domains is still a challenge, as current standards such as the ISO standard STEP (ISO 10303 ”Standard for the Exchange of Product model data”) fail to bridge the gap between design and simulation data. This challenge requires new methods, such as ontologies, to rethink simulation results integration. This research describes a new software architecture and application methodology based on the industrial standard ”Virtual Material Modelling in Manufacturing” (VMAP). The architecture integrates large quantities of structured simulation data and their analyses into a semantic data structure. It is capable of providing data permeability from the global digital twin level to the detailed numerical values of data entries and even new key indicators in a three-step approach: It represents a file as an instance in a knowledge graph, queries the file’s metadata, and finds a semantically represented process that enables new metadata to be created and instantiated.
Accurate global horizontal irradiance (GHI) forecasting is critical for integrating solar energy into the power grid and operating solar power plants. The Weather Research and Forecasting model with its solar radiation extension (WRF-Solar) has been used to forecast solar irradiance in different regions around the world. However, the application of the WRF-Solar model to the prediction of GHI in West Africa, particularly Ghana, has not yet been investigated. The aim of this study is to evaluate the performance of the WRF-Solar model for predicting GHI in Ghana, focusing on three automatic weather stations (Akwatia, Kumasi and Kologo) for the year 2021. We used two one-way nested domains (D1 = 15 km and D2 = 3 km) to investigate the ability of the fully coupled WRF-Solar model to forecast GHI up to 72-hour ahead under different atmospheric conditions. The initial and lateral boundary conditions were taken from the ECMWF high-resolution operational forecasts. Our findings reveal that the WRF-Solar model performs better under clear skies than cloudy skies. Under clear skies, Kologo performed best in predicting 72-hour GHI, with a first day nRMSE of 9.62 %. However, forecasting GHI under cloudy skies at all three sites had significant uncertainties. Additionally, WRF-Solar model is able to reproduce the observed GHI diurnal cycle under high AOD conditions in most of the selected days. This study enhances the understanding of the WRF-Solar model’s capabilities and limitations for GHI forecasting in West Africa, particularly in Ghana. The findings provide valuable information for stakeholders involved in solar energy generation and grid integration towards optimized management in the region.
The lattice Boltzmann method (LBM) stands apart from conventional macroscopic approaches due to its low numerical dissipation and reduced computational cost, attributed to a simple streaming and local collision step. While this property makes the method particularly attractive for applications such as direct noise computation, it also renders the method highly susceptible to instabilities. A vast body of literature exists on stability-enhancing techniques, which can be categorized into selective filtering, regularized LBM, and multi-relaxation time (MRT) models. Although each technique bolsters stability by adding numerical dissipation, they act on different modes. Consequently, there is not a universal scheme optimally suited for a wide range of different flows. The reason for this lies in the static nature of these methods; they cannot adapt to local or global flow features. Still, adaptive filtering using a shear sensor constitutes an exception to this. For this reason, we developed a novel collision operator that uses space- and time-variant collision rates associated with the bulk viscosity. These rates are optimized by a physically informed neural net. In this study, the training data consists of a time series of different instances of a 2D barotropic vortex solution, obtained from a high-order Navier–Stokes solver that embodies desirable numerical features. For this specific text case our results demonstrate that the relaxation times adapt to the local flow and show a dependence on the velocity field. Furthermore, the novel collision operator demonstrates a better stability-to-precision ratio and outperforms conventional techniques that use an empirical constant for the bulk viscosity.
Protocol for conducting advanced cyclic tests in lithium-ion batteries to estimate capacity fade
(2024)
Using advanced cyclic testing techniques improves accuracy in estimating capacity fade and incorporates real-world scenarios in battery cycle aging assessment. Here, we present a protocol for conducting cyclic tests in lithium-ion batteries to estimate capacity fade. We describe steps for implementing strategies for accounting for variations in rest periods, charge-discharge rates, and temperatures. We also detail procedures for validating tests experimentally within a climate-controlled chamber and for developing an empirical model to estimate capacity fading under various testing objectives. For complete details on the use and execution of this protocol, please refer to Mulpuri et al.1.
Traditional and newly developed testing methods were used for extensive application-related characterization of transdermal therapeutic systems (TTS) and pressure sensitive adhesives (PSA). Large amplitude oscillatory shear tests of PSAs were correlated to the material behavior during the patient’s motion and showed that all PSAs were located close to the gel point. Furthermore, an increasing strain amplitude results in stretching and yielding of the PSA´s microstructure causing a consolidation of the network and a release with increasing strain amplitude. RheoTack approach was developed to allow for an advanced tack characterization of TTS with visual inspection. The results showed a clear resin content and rod geometry dependent behavior, and displays the PSA´s viscoelasticity resulting in either high tack and long stretched fibrils or non-adhesion and brittle behavior. Moreover, diffusion of water / sweat during TTS´s application might influence its performance. Therefore, a dielectric analysis based evaluation method displayed occurring water diffusion into the PSA from which the diffusion coefficient can be determined, and showed clear material and resin content dependent behavior. All methods allow for an advanced product-oriented material testing that can be utilized within further TTS development.
Force field (FF) based molecular modeling is an often used method to investigate and study structural and dynamic properties of (bio-)chemical substances and systems. When such a system is modeled or refined, the force field parameters need to be adjusted. This force field parameter optimization can be a tedious task and is always a trade-off in terms of errors regarding the targeted properties. To better control the balance of various properties’ errors, in this study we introduce weighting factors for the optimization objectives. Different weighting strategies are compared to fine-tune the balance between bulk-phase density and relative conformational energies (RCE), using n-octane as a representative system. Additionally, a non-linear projection of the individual property-specific parts of the optimized loss function is deployed to further improve the balance between them. The results show that the overall error is reduced. One interesting outcome is a large variety in the resulting optimized force field parameters (FFParams) and corresponding errors, suggesting that the optimization landscape is multi-modal and very dependent on the weighting factor setup. We conclude that adjusting the weighting factors can be a very important feature to lower the overall error in the FF optimization procedure, giving researchers the possibility to fine-tune their FFs.
This work proposes a novel approach for probabilistic end-to-end all-sky imager-based nowcasting with horizons of up to 30 min using an ImageNet pre-trained deep neural network. The method involves a two-stage approach. First, a backbone model is trained to estimate the irradiance from all-sky imager (ASI) images. The model is then extended and retrained on image and parameter sequences for forecasting. An open access data set is used for training and evaluation. We investigated the impact of simultaneously considering global horizontal (GHI), direct normal (DNI), and diffuse horizontal irradiance (DHI) on training time and forecast performance as well as the effect of adding parameters describing the irradiance variability proposed in the literature. The backbone model estimates current GHI with an RMSE and MAE of 58.06 and 29.33 W m−2, respectively. When extended for forecasting, the model achieves an overall positive skill score reaching 18.6 % compared to a smart persistence forecast. Minor modifications to the deterministic backbone and forecasting models enables the architecture to output an asymmetrical probability distribution and reduces training time while leading to similar errors for the backbone models. Investigating the impact of variability parameters shows that they reduce training time but have no significant impact on the GHI forecasting performance for both deterministic and probabilistic forecasting while simultaneously forecasting GHI, DNI, and DHI reduces the forecast performance.
In vision tasks, a larger effective receptive field (ERF) is associated with better performance. While attention natively supports global context, convolution requires multiple stacked layers and a hierarchical structure for large context. In this work, we extend Hyena, a convolution-based attention replacement, from causal sequences to the non-causal two-dimensional image space. We scale the Hyena convolution kernels beyond the feature map size up to 191$\times$191 to maximize the ERF while maintaining sub-quadratic complexity in the number of pixels. We integrate our two-dimensional Hyena, HyenaPixel, and bidirectional Hyena into the MetaFormer framework. For image categorization, HyenaPixel and bidirectional Hyena achieve a competitive ImageNet-1k top-1 accuracy of 83.0% and 83.5%, respectively, while outperforming other large-kernel networks. Combining HyenaPixel with attention further increases accuracy to 83.6%. We attribute the success of attention to the lack of spatial bias in later stages and support this finding with bidirectional Hyena.
Pipeline transport is an efficient method for transporting fluids in energy supply and other technical applications. While natural gas is the classical example, the transport of hydrogen is becoming more and more important; both are transmitted under high pressure in a gaseous state. Also relevant is the transport of carbon dioxide, captured in the places of formation, transferred under high pressure in a liquid or supercritical state and pumped into underground reservoirs for storage. The transport of other fluids is also required in technical applications. Meanwhile, the transport equations for different fluids are essentially the same, and the simulation can be performed using the same methods. In this paper, the effect of control elements such as compressors, regulators and flaptraps on the stability of fluid transport simulations is studied. It is shown that modeling of these elements can lead to instabilities, both in stationary and dynamic simulations. Special regularization methods were developed to overcome these problems. Their functionality also for dynamic simulations is demonstrated for a number of numerical experiments.
In addition to the long-term goal of mitigating climate change, the current geopolitical upheavals heighten the urgency to transform Europe's energy system. This involves expanding renewable energies while managing intermittent electricity generation. Hydrogen is a promising solution to balance generation and demand, simultaneously decarbonizing complex applications. To model the energy system's transformation, the project TransHyDE-Sys, funded by the German Federal Ministry of Education and Research, takes an integrated approach beyond traditional energy system analysis, incorporating a diverse range of more detailed methods and tools. Herein, TransHyDE-Sys is situated within the recent policy discussion. It addresses the requirements for energy system modeling to gain insights into transforming the European hydrogen and energy infrastructure. It identifies knowledge gaps in the existing literature on hydrogen infrastructure-oriented energy system modeling and presents the research approach of TransHyDE-Sys. TransHyDE-Sys analyzes the development of hydrogen and energy infrastructures from “the system” and “the stakeholder” perspectives. The integrated modeling landscape captures temporal and spatial interactions among hydrogen, electricity, and natural gas infrastructure, providing comprehensive insights for systemic infrastructure planning. This allows a more accurate representation of the energy system's dynamics and aids in decision-making for achieving sustainable and efficient hydrogen network development integration.
This study addresses the common occurrence of cell-to-cell variations arising from manufacturing tolerances and their implications during battery production. The focus is on assessing the impact of these inherent differences in cells and exploring diverse cell and module connection methods on battery pack performance and their subsequent influence on the driving range of electric vehicles (EVs). The analysis spans three battery pack sizes, encompassing various constant discharge rates and nine distinct drive cycles representative of driving behaviours across different regions of India. Two interconnection topologies, categorised as “string” and “cross”, are examined. The findings reveal that cross-connected packs exhibit reduced energy output compared to string-connected configurations, which is reflected in the driving range outcomes observed during drive cycle simulations. Additionally, the study investigates the effects of standard deviation in cell parameters, concluding that an increased standard deviation (SD) leads to decreased energy output from the packs. Notably, string-connected packs demonstrate superior performance in terms of extractable energy under such conditions.
Pollution with anthropogenic waste, particularly persistent plastic, has now reached every remote corner of the world. The French Atlantic coast, given its extensive coastline, is particularly affected. To gain an overview of current plastic pollution, this study examined a stretch of 250 km along the Silver Coast of France. Sampling was conducted at a total of 14 beach sections, each with five sampling sites in a transect. At each collection site, a square of 0.25 m2 was marked. The top 5 cm of beach sediment was collected and sieved on-site using an analysis sieve (mesh size 1 mm), resulting in a total of approximately 0.8 m3 of sediment, corresponding to a total weight of 1300 kg of examined beach sediment. A total of 1972 plastic particles were extracted and analysed using infrared spectroscopy, corresponding to 1.5 particles kg−1 of beach sediment. Pellets (885 particles), polyethylene as the polymer type (1349 particles), and particles in the size range of microplastics (943 particles) were most frequently found. The significant pollution by pellets suggests that the spread of plastic waste is not primarily attributable to tourism (in February/March 2023). The substantial accumulation of meso- and macro-waste (with 863 and 166 particles) also indicates that research focusing on microplastics should be expanded to include these size categories, as microplastics can develop from them over time.
TREE Jahresbericht 2021/2022
(2023)
Das Institut TREE freut sich, ihnen den Jahresbericht der Jahre 2021 und 2022 präsentieren zu können. Blicken sie mit uns zurück auf zwei herausfordernde Jahre.
Unser neuer Doppel-Jahresbericht 2021/2022 enthält viele, interessante, Beiträgen unserer spannenden, interdisziplinären Forschungprojekte der Bereiche Energie, Modellbildung Simulation, Drohnenforschung, Materialien und Prozesse und Technikkommunikation.
Trueness and precision of milled and 3D printed root-analogue implants: A comparative in vitro study
(2023)
A biodegradable blend of PBAT—poly(butylene adipate-co-terephthalate)—and PLA—poly(lactic acid)—for blown film extrusion was modified with four multi-functional chain extending cross-linkers (CECL). The anisotropic morphology introduced during film blowing affects the degradation processes. Given that two CECL increased the melt flow rate (MFR) of tris(2,4-di-tert-butylphenyl)phosphite (V1) and 1,3-phenylenebisoxazoline (V2) and the other two reduced it (aromatic polycarbodiimide (V3) and poly(4,4-dicyclohexylmethanecarbodiimide) (V4)), their compost (bio-)disintegration behavior was investigated. It was significantly altered with respect to the unmodified reference blend (REF). The disintegration behavior at 30 and 60 °C was investigated by determining changes in mass, Young’s moduli, tensile strengths, elongations at break and thermal properties. In order to quantify the disintegration behavior, the hole areas of blown films were evaluated after compost storage at 60 °C to calculate the kinetics of the time dependent degrees of disintegration. The kinetic model of disintegration provides two parameters: initiation time and disintegration time. They quantify the effects of the CECL on the disintegration behavior of the PBAT/PLA compound. Differential scanning calorimetry (DSC) revealed a pronounced annealing effect during storage in compost at 30 °C, as well as the occurrence of an additional step-like increase in the heat flow at 75 °C after storage at 60 °C. The disintegration consists of processes which affect amorphous and crystalline phase of PBAT in different manner that cannot be understood by a hydrolytic chain degradation only. Furthermore, gel permeation chromatography (GPC) revealed molecular degradation only at 60 °C for the REF and V1 after 7 days of compost storage. The observed losses of mass and cross-sectional area seem to be attributed more to mechanical decay than to molecular degradation for the given compost storage times.
Rosenbrock–Wanner methods for systems of stiff ordinary differential equations are well known since the seventies. They have been continuously developed and are efficient for differential-algebraic equations of index-1, as well. Their disadvantage that the Jacobian matrix has to be updated in every time step becomes more and more obsolete when automatic differentiation is used. Especially the family of Rodas methods has proven to be a standard in the Julia package DifferentialEquations. However, the fifth-order Rodas5 method undergoes order reduction for certain problem classes. Therefore, the goal of this paper is to compute a new set of coefficients for Rodas5 such that this order reduction is reduced. The procedure is similar to the derivation of the methods Rodas4P and Rodas4P2. In addition, it is possible to provide new dense output formulas for Rodas5 and the new method Rodas5P. Numerical tests show that for higher accuracy requirements Rodas5P always belongs to the best methods within the Rodas family.
The transport of carbon dioxide through pipelines is one of the important components of Carbon dioxide Capture and Storage (CCS) systems that are currently being developed. If high flow rates are desired a transportation in the liquid or supercritical phase is to be preferred. For technical reasons, the transport must stay in that phase, without transitioning to the gaseous state. In this paper, a numerical simulation of the stationary process of carbon dioxide transport with impurities and phase transitions is considered. We use the Homogeneous Equilibrium Model (HEM) and the GERG-2008 thermodynamic equation of state to describe the transport parameters. The algorithms used allow to solve scenarios of carbon dioxide transport in the liquid or supercritical phase, with the detection of approaching the phase transition region. Convergence of the solution algorithms is analyzed in connection with fast and abrupt changes of the equation of state and the enthalpy function in the region of phase transitions.
Solar photovoltaic power output is modulated by atmospheric aerosols and clouds and thus contains valuable information on the optical properties of the atmosphere. As a ground-based data source with high spatiotemporal resolution it has great potential to complement other ground-based solar irradiance measurements as well as those of weather models and satellites, thus leading to an improved characterisation of global horizontal irradiance. In this work several algorithms are presented that can retrieve global tilted and horizontal irradiance and atmospheric optical properties from solar photovoltaic data and/or pyranometer measurements. The method is tested on data from two measurement campaigns that took place in the Allgäu region in Germany in autumn 2018 and summer 2019, and the results are compared with local pyranometer measurements as well as satellite and weather model data. Using power data measured at 1 Hz and averaged to 1 min resolution along with a non-linear photovoltaic module temperature model, global horizontal irradiance is extracted with a mean bias error compared to concurrent pyranometer measurements of 5.79 W m−2 (7.35 W m−2) under clear (cloudy) skies, averaged over the two campaigns, whereas for the retrieval using coarser 15 min power data with a linear temperature model the mean bias error is 5.88 and 41.87 W m−2 under clear and cloudy skies, respectively.
During completely overcast periods the cloud optical depth is extracted from photovoltaic power using a lookup table method based on a 1D radiative transfer simulation, and the results are compared to both satellite retrievals and data from the Consortium for Small-scale Modelling (COSMO) weather model. Potential applications of this approach for extracting cloud optical properties are discussed, as well as certain limitations, such as the representation of 3D radiative effects that occur under broken-cloud conditions. In principle this method could provide an unprecedented amount of ground-based data on both irradiance and optical properties of the atmosphere, as long as the required photovoltaic power data are available and properly pre-screened to remove unwanted artefacts in the signal. Possible solutions to this problem are discussed in the context of future work.
The cystic fibrosis transmembrane conductance regulator (CFTR) anion channel and the epithelial Na+ channel (ENaC) play essential roles in transepithelial ion and fluid transport in numerous epithelial tissues. Inhibitors of both channels have been important tools for defining their physiological role in vitro. However, two commonly used CFTR inhibitors, CFTRinh-172 and GlyH-101, also inhibit non-CFTR anion channels, indicating they are not CFTR specific. However, the potential off-target effects of these inhibitors on epithelial cation channels has to date not been addressed. Here, we show that both CFTR blockers, at concentrations routinely employed by many researchers, caused a significant inhibition of store-operated calcium entry (SOCE) that was time-dependent, poorly reversible and independent of CFTR. Patch clamp experiments showed that both CFTRinh-172 and GlyH-101 caused a significant block of Orai1-mediated whole cell currents, establishing that they likely reduce SOCE via modulation of this Ca2+ release-activated Ca2+ (CRAC) channel. In addition to off-target effects on calcium channels, both inhibitors significantly reduced human αβγ-ENaC-mediated currents after heterologous expression in Xenopus oocytes, but had differential effects on δβγ-ENaC function. Molecular docking identified two putative binding sites in the extracellular domain of ENaC for both CFTR blockers. Together, our results indicate that caution is needed when using these two CFTR inhibitors to dissect the role of CFTR, and potentially ENaC, in physiological processes.
Accurate forecasting of solar irradiance is crucial for the integration of solar energy into the power grid, power system planning, and the operation of solar power plants. The Weather Research and Forecasting (WRF) model, with its solar radiation (WRF-Solar) extension, has been used to forecast solar irradiance in various regions worldwide. However, the application of the WRF-Solar model for global horizontal irradiance (GHI) forecasting in West Africa, specifically in Ghana, has not been studied. This study aims to evaluate the performance of the WRF-Solar model for GHI forecasting in Ghana, focusing on 3 health centers (Kologo, Kumasi and Akwatia) for the year 2021. We applied a two one-way nested domain (D1=15 km and D2=3 km) to investigate the ability of the WRF solar model to forecast GHI up to 72 hours in advance under different atmospheric conditions. The initial and lateral boundary conditions were taken from the ECMWF operational forecasts. In addition, the optical aerosol depth (AOD) data at 550 nm from the Copernicus Atmosphere Monitoring Service (CAMS) were considered. The study uses statistical metrics such as mean bias error (MBE), root mean square error (RMSE), to evaluate the performance of the WRF-Solar model with the observational data obtained from automatic weather stations in the three health centers in Ghana. The results of this study will contribute to the understanding of the capabilities and limitations of the WRF-Solar model for forecasting GHI in West Africa, particularly in Ghana, and provide valuable information for stakeholders involved in solar energy generation and grid integration towards optimized management of in the region.
The representation, or encoding, utilized in evolutionary algorithms has a substantial effect on their performance. Examination of the suitability of widely used representations for quality diversity optimization (QD) in robotic domains has yielded inconsistent results regarding the most appropriate encoding method. Given the domain-dependent nature of QD, additional evidence from other domains is necessary. This study compares the impact of several representations, including direct encoding, a dictionary-based representation, parametric encoding, compositional pattern producing networks, and cellular automata, on the generation of voxelized meshes in an architecture setting. The results reveal that some indirect encodings outperform direct encodings and can generate more diverse solution sets, especially when considering full phenotypic diversity. The paper introduces a multi-encoding QD approach that incorporates all evaluated representations in the same archive. Species of encodings compete on the basis of phenotypic features, leading to an approach that demonstrates similar performance to the best single-encoding QD approach. This is noteworthy, as it does not always require the contribution of the best-performing single encoding.
The epithelial sodium channel (ENaC) is a key regulator of sodium homeostasis that contributes to blood pressure control. ENaC open probability is adjusted by extracellular sodium ions, a mechanism referred to as sodium self-inhibition (SSI). With a growing number of identified ENaC gene variants associated with hypertension, there is an increasing demand for medium- to high-throughput assays allowing the detection of alterations in ENaC activity and SSI. We evaluated a commercially available automated two-electrode voltage-clamp (TEVC) system that records transmembrane currents of ENaC-expressing Xenopus oocytes in 96-well microtiter plates. We employed guinea pig, human and Xenopus laevis ENaC orthologs that display specific magnitudes of SSI. While demonstrating some limitations over traditional TEVC systems with customized perfusion chambers, the automated TEVC system was able to detect the established SSI characteristics of the employed ENaC orthologs. We were able to confirm a reduced SSI in a gene variant, leading to C479R substitution in the human α-ENaC subunit that has been reported in Liddle syndrome. In conclusion, automated TEVC in Xenopus oocytes can detect SSI of ENaC orthologs and variants associated with hypertension. For precise mechanistic and kinetic analyses of SSI, optimization for faster solution exchange rates is recommended.
Solar photovoltaic power output is modulated by atmospheric aerosols and clouds and thus contains valuable information on the optical properties of the atmosphere. As a ground-based data source with high spatiotemporal resolution it has great potential to complement other ground-based solar irradiance measurements as well as those of weather models and satellites, thus leading to an improved characterisation of global horizontal irradiance. In this work several algorithms are presented that can retrieve global tilted and horizontal irradiance and atmospheric optical properties from solar photovoltaic data and/or pyranometer measurements. Specifically, the aerosol (cloud) optical depth is inferred during clear sky (completely overcast) conditions. The method is tested on data from two measurement campaigns that took place in Allgäu, Germany in autumn 2018 and summer 2019, and the results are compared with local pyranometer measurements as well as satellite and weather model data. Using power data measured at 1 Hz and averaged to 1 minute resolution, the hourly global horizontal irradiance is extracted with a mean bias error compared to concurrent pyranometer measurements of 11.45 W m−2, averaged over the two campaigns, whereas for the retrieval using coarser 15 minute power data the mean bias error is 16.39 W m−2.
During completely overcast periods the cloud optical depth is extracted from photovoltaic power using a lookup table method based on a one-dimensional radiative transfer simulation, and the results are compared to both satellite retrievals as well as data from the COSMO weather model. Potential applications of this approach for extracting cloud optical properties are discussed, as well as certain limitations, such as the representation of 3D radiative effects that occur under broken cloud conditions. In principle this method could provide an unprecedented amount of ground-based data on both irradiance and optical properties of the atmosphere, as long as the required photovoltaic power data are available and are properly pre-screened to remove unwanted artefacts in the signal. Possible solutions to this problem are discussed in the context of future work.
Estimates of global horizontal irradiance (GHI) from reanalysis and satellite-based data are the most important information for the design and monitoring of PV systems in Africa, but their quality is unknown due to the lack of in situ measurements. In this study, we evaluate the performance of hourly GHI from state-of-the-art reanalysis and satellite-based products (ERA5, CAMS, MERRA-2, and SARAH-2) with 37 quality-controlled in situ measurements from novel meteorological networks established in Burkina Faso and Ghana under different weather conditions for the year 2020. The effects of clouds and aerosols are also considered in the analysis by using common performance measures for the main quality attributes and a new overall performance value for the joint assessment. The results show that satellite data performs better than reanalysis data under different atmospheric conditions. Nevertheless, both data sources exhibit significant bias of more than 150 W/m2 in terms of RMSE under cloudy skies compared to clear skies. The new measure of overall performance clearly shows that the hourly GHI derived from CAMS and SARAH-2 could serve as viable alternative data for assessing solar energy in the different climatic zones of West Africa.
Stably stratified Taylor–Green vortex simulations are performed by lattice Boltzmann methods (LBM) and compared to other recent works using Navier–Stokes solvers. The density variation is modeled with a separate distribution function in addition to the particle distribution function modeling the flow physics. Different stencils, forcing schemes, and collision models are tested and assessed. The overall agreement of the lattice Boltzmann solutions with reference solutions from other works is very good, even when no explicit subgrid model is used, but the quality depends on the LBM setup. Although the LBM forcing scheme is not decisive for the quality of the solution, the choice of the collision model and of the stencil are crucial for adequate solutions in underresolved conditions. The LBM simulations confirm the suppression of vertical flow motion for decreasing initial Froude numbers. To gain further insight into buoyancy effects, energy decay, dissipation rates, and flux coefficients are evaluated using the LBM model for various Froude numbers.
This paper presents a novel approach to address noise, vibration, and harshness (NVH) issues in electrically assisted bicycles (e-bikes) caused by the drive unit. By investigating and optimising the structural dynamics during early product development, NVH can decisively be improved and valuable resources can be saved, emphasising its significance for enhancing riding performance. The paper offers a comprehensive analysis of the e-bike drive unit’s mechanical interactions among relevant components, culminating—to the best of our knowledge—in the development of the first high-fidelity model of an entire e-bike drive unit. The proposed model uses the principles of elastic multi body dynamics (eMBD) to elucidate the structural dynamics in dynamic-transient calculations. Comparing power spectra between measured and simulated motion variables validates the chosen model assumptions. The measurements of physical samples utilise accelerometers, contactless laser Doppler vibrometry (LDV) and various test arrangements, which are replicated in simulations and provide accessibility to measure vibrations onto rotating shafts and stationary structures. In summary, this integrated system-level approach can serve as a viable starting point for comprehending and managing the NVH behaviour of e-bikes.
Trends of environmental awareness, combined with a focus on personal fitness and health, motivate many people to switch from cars and public transport to micromobility solutions, namely bicycles, electric bicycles, cargo bikes, or scooters. To accommodate urban planning for these changes, cities and communities need to know how many micromobility vehicles are on the road. In a previous work, we proposed a concept for a compact, mobile, and energy-efficient system to classify and count micromobility vehicles utilizing uncooled long-wave infrared (LWIR) image sensors and a neuromorphic co-processor. In this work, we elaborate on this concept by focusing on the feature extraction process with the goal to increase the classification accuracy. We demonstrate that even with a reduced feature list compared with our early concept, we manage to increase the detection precision to more than 90%. This is achieved by reducing the images of 160 × 120 pixels to only 12 × 18 pixels and combining them with contour moments to a feature vector of only 247 bytes.
Several species of (poly)saccharides and organic acids can be found often simultaneously in various biological matrices, e.g., fruits, plant materials, and biological fluids. The analysis of such matrices sometimes represents a challenging task. Using Aloe vera (A. vera) plant materials as an example, the performance of several spectroscopic methods (80 MHz benchtop NMR, NIR, ATR-FTIR and UV-Vis) for the simultaneous analysis of quality parameters of this plant material was compared. The determined parameters include (poly)saccharides such as aloverose, fructose and glucose as well as organic acids (malic, lactic, citric, isocitric, acetic, fumaric, benzoic and sorbic acids). 500 MHz NMR and high-performance liquid chromatography (HPLC) were used as the reference methods.
UV-VIS data can be used only for identification of added preservatives (benzoic and sorbic acids) and drying agent (maltodextrin) and semiquantitative analysis of malic acid. NIR and MIR spectroscopies combined with multivariate regression can deliver more informative overview of A. vera extracts being able to additionally quantify glucose, aloverose, citric, isocitric, malic, lactic acids and fructose. Low-field NMR measurements can be used for the quantification of aloverose, glucose, malic, lactic, acetic, and benzoic acids. The benchtop NMR method was successfully validated in terms of robustness, stability, precision, reproducibility and limit of detection (LOD) and quantification (LOQ), respectively.
All spectroscopic techniques are useful for the screening of (poly)saccharides and organic acids in plant extracts and should be applied according to its availability as well as information and confidence required for the specific analytical goal. Benchtop NMR spectroscopy seems to be the most feasible solution for quality control of A. vera products.
This research studies in detail four different assays, namely DPPH (2,2-diphenyl-1-picrylhydrazyl), ABTS (2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid)), FRAP (ferric ion reducing antioxidant potential) and FC (Folin-Ciocalteu), to determine the antioxidant capacity of standard substances as well as 50 organosolv lignins, and two kraft lignins. The coefficient of variation was determined for each method and was lowest for ABTS and highest for DPPH. The best correlation was found for FRAP and FC, which both rely on a single electron transfer mechanism. A good correlation between ABTS, FRAP and FC, respectively, could be observed, even though ABTS relies on a more complex reaction mechanism. The DPPH assay merely correlates with the others, implying that it reflects different antioxidative attributes due to a different reaction mechanism. Lignins obtained from paulownia and silphium have been investigated for the first time regarding their antioxidant capacity. Paulownia lignin is in the same range as beech wood lignin, while silphium lignin resembles wheat straw lignin. Miscanthus lignin is an exception from the grass lignins and possesses a significantly higher antioxidant capacity. All lignins possess a good antioxidant capacity and thus are promising candidates for various applications, e. g. as additives in food packaging or for biomedical purposes.
Im Rahmen dieser Arbeit wurden zunächst neuartige ionische Agarosederivate synthetisiert und anschließend umfassend charakterisiert. Anionische Agarosesulfate mit einer regioselektiven Derivatisierung in Position G6 wurden durch homogene Umsetzung in ionischer Flüssigkeit erhalten. Kationische Agarosecarbamate mit einstellbarem Funktionalisierungsgrad waren durch einen zweistufigen Syntheseansatz zugänglich. Hierzu wurden zunächst Agarosephenylcarbonate in einer homogenen Synthese hergestellt, im Anschluss folgte eine Aminolyse zu den gewünschten funktionalen Agarosederivaten. Die ionischen Agarosederivate waren bereits bei geringen Funktionalisierungsgraden vollständig löslich in Wasser. Damit war es möglich, Alginatmikrokapseln polyelektrolytisch zu beschichten und diese als Träger für eine kontrollierte Wirkstofffreisetzung zu verwenden. Ebenfalls konnten Kompositgele aus Agarose, Hydroxyapatit und Agarosederivaten hergestellt und charakterisiert werden. Im zweiten Teil wurden sowohl die Kompositträgermaterialien als auch die Alginatmikrokapseln mit vier verschiedenen Modellwirkstoffen (ATP, Suramin, Methylenblau und A740003) beladen und die Wirkstofffreisetzung über einen Zeitraum von zwei Wochen untersucht. Für die ionischen Modellwirkstoffe erwiesen sich Kompositträgermaterialien mit ionischem Agarosederivat, die beschichteten Mikrokapseln sowie die Kombination aus Komposit und Kapseln als effektiv, um die Freisetzung auf bis zu 40% zu verlangsamen. Für die schlecht wasserlösliche Substanz A740003, ein Rezeptorligand für die osteogene Differenzierung von Stammzellen, wurde eine stark verzögerte Freisetzung aus Polyelektrolytemikrokapseln festgestellt. Mithilfe von literaturbekannten und neu entwickelten Anpassungsmodellen gelang es, die Diffusion als Hauptmechanismus der Wirkstofffreisetzung zu identifizieren und die Freisetzungskurven mathematisch akkurat zu beschreiben und daraus Rückschlüsse über die einzelnen Phasen der Freisetzung zu ziehen.
Transdermal therapeutic systems (TTS) represent an up-to-day medication applied to human skin, which consists of a drug-containing pressure-sensitive adhesive (PSA) and a flexible backing layer. The development of a reliable TTS requires precise knowledge of the viscoelastic tack behavior of PSA in terms of adhesion and detaching. Tailoring of a PSA can be achieved by altering the resin content or modifying the chemical properties of the macromolecules. In this study, three different resin content of two silicone-based PSA – non-amine compatible, and less tack, amine-compatible – were investigated with the help of recently developed RheoTack method to characterize the retraction speed dependent tack behavior for various geometries of the testing rods. The obtained force-retraction displacement-curves clearly depict the effect of the chemical structure as well as the resin content. Decreasing the resin content shifts the start of fibril fracture to larger deformations states and significantly enhances the stretchability of the fibrils. To compare various rod geometries precisely, the force-retraction displacement curves were normalized to account for effective contact areas. The flat and spherical rods led to completely different failure and tack behaviors. Furthermore, the adhesion formation between TTS with flexible backing layers and rods during the dwell phase happens in a different manner compared to rigid plates, in particular for flat rods, where maximum compression stresses occur at the edges and not uniformly over the cross-section. Thus, the approach to follow ASTM D2949 has to be reconsidered for tests of these materials.
Battery lifespan estimation is essential for effective battery management systems, aiding users and manufacturers in strategic planning. However, accurately estimating battery capacity is complex, owing to diverse capacity fading phenomena tied to factors such as temperature, charge-discharge rate, and rest period duration. In this work, we present an innovative approach that integrates real-world driving behaviors into cyclic testing. Unlike conventional methods that lack rest periods and involve fixed charge-discharge rates, our approach involves 1000 unique test cycles tailored to specific objectives and applications, capturing the nuanced effects of temperature, charge-discharge rate, and rest duration on capacity fading. This yields comprehensive insights into cell-level battery degradation, unveiling growth patterns of the solid electrolyte interface (SEI) layer and lithium plating, influenced by cyclic test parameters. The results yield critical empirical relations for evaluating capacity fading under specific testing conditions.
When optimizing the process parameters of the acidic ethanolic organosolv process, the aim is usually to maximize the delignification and/or lignin purity. However, process parameters such as temperature, time, ethanol and catalyst concentration, respectively, can also be used to vary the structural properties of the obtained organosolv lignin, including the molecular weight and the ratio of aliphatic versus phenolic hydroxyl groups, among others. This review particularly focuses on these influencing factors and establishes a trend analysis between the variation of the process parameters and the effect on lignin structure. Especially when larger data sets are available, as for process temperature and time, correlations between the distribution of depolymerization and condensation reactions are found, which allow direct conclusions on the proportion of lignin's structural features, independent of the diversity of the biomass used. The newfound insights gained from this review can be used to tailor organosolv lignins isolated for a specific application.
A company's financial documents use tables along with text to organize the data containing key performance indicators (KPIs) (such as profit and loss) and a financial quantity linked to them. The KPI’s linked quantity in a table might not be equal to the similarly described KPI's quantity in a text. Auditors take substantial time to manually audit these financial mistakes and this process is called consistency checking. As compared to existing work, this paper attempts to automate this task with the help of transformer-based models. Furthermore, for consistency checking it is essential for the table's KPIs embeddings to encode the semantic knowledge of the KPIs and the structural knowledge of the table. Therefore, this paper proposes a pipeline that uses a tabular model to get the table's KPIs embeddings. The pipeline takes input table and text KPIs, generates their embeddings, and then checks whether these KPIs are identical. The pipeline is evaluated on the financial documents in the German language and a comparative analysis of the cell embeddings' quality from the three tabular models is also presented. From the evaluation results, the experiment that used the English-translated text and table KPIs and Tabbie model to generate table KPIs’ embeddings achieved an accuracy of 72.81% on the consistency checking task, outperforming the benchmark, and other tabular models.
Electrical signal transmission in power electronic devices takes place through high-purity aluminum bonding wires. Cyclic mechanical and thermal stresses during operation lead to fatigue loads, resulting in premature failure of the wires, which cannot be reliably predicted. The following work presents two fatigue lifetime models calibrated and validated based on experimental fatigue results of an aluminum bonding wire and subsequently transferred and applied to other wire types. The lifetime modeling of Wöhler curves for different load ratios shows good but limited applicability for the linear model. The model can only be applied above 10,000 cycles and within the investigated load range of R = 0.1 to R = 0.7. The nonlinear model shows very good agreement between model prediction and experimental results over the entire investigated cycle range. Furthermore, the predicted Smith diagram is not only consistent in the investigated load range but also in the extrapolated load range from R = −1.0 to R = 0.8. A transfer of both model approaches to other wire types by using their tensile strengths can be implemented as well, although the nonlinear model is more suitable since it covers the entire load and cycle range.
Heutzutage werden alternative Mobilitätslösungen immer wichtiger. Dabei haben eBikes ihr Potential längst unter Beweis gestellt. Der zugehörige Markt ist über die letzten 10 Jahre enorm gewachsen und gleichermaßen auch die Erwartungen an das Produkt, wie bspw. eine Fahrt ohne störende Vibrationen und Geräusche zu haben. Der Motorfreilauf leistet dabei einen maßgeblichen Einfluss auf das dynamische Verhalten. In diesem Beitrag soll daher eine methodische Vorgehensweise vorgestellt werden, um mittels Versuch und Simulation den Einfluss des Motorfeilaufs auf das dynamische Verhalten der eBike Antriebseinheit zu bestimmen.
A Fourier scatterometry setup is evaluated to recover the key parameters of optical phase gratings. Based on these parameters, systematic errors in the printing process of two-photon polymerization (TPP) gray-scale lithography three-dimensional printers can be compensated, namely tilt and curvature deviations. The proposed setup is significantly cheaper than a confocal microscope, which is usually used to determine calibration parameters for compensation of the TPP printing process. The grating parameters recovered this way are compared to those obtained with a confocal microscope. A clear correlation between confocal and scatterometric measurements is first shown for structures containing either tilt or curvature. The correlation is also shown for structures containing a mixture of tilt and curvature errors (squared Pearson coefficient r2 = 0.92). This compensation method is demonstrated on a TPP printer: a diffractive optical element printed with correction parameters obtained from Fourier scatterometry shows a significant reduction in noise as compared to the uncompensated system. This verifies the successful reduction of tilt and curvature errors. Further improvements of the method are proposed, which may enable the measurements to become more precise than confocal measurements in the future, since scatterometry is not affected by the diffraction limit.
Question Answering (QA) has gained significant attention in recent years, with transformer-based models improving natural language processing. However, issues of explainability remain, as it is difficult to determine whether an answer is based on a true fact or a hallucination. Knowledge-based question answering (KBQA) methods can address this problem by retrieving answers from a knowledge graph. This paper proposes a hybrid approach to KBQA called FRED, which combines pattern-based entity retrieval with a transformer-based question encoder. The method uses an evolutionary approach to learn SPARQL patterns, which retrieve candidate entities from a knowledge base. The transformer-based regressor is then trained to estimate each pattern’s expected F1 score for answering the question, resulting in a ranking ofcandidate entities. Unlike other approaches, FRED can attribute results to learned SPARQL patterns, making them more interpretable. The method is evaluated on two datasets and yields MAP scores of up to 73 percent, with the transformer-based interpretation falling only 4 pp short of an oracle run. Additionally, the learned patterns successfully complement manually generated ones and generalize well to novel questions.
This paper addresses the classification of Arabic text data in the field of Natural Language Processing (NLP), with a particular focus on Natural Language Inference (NLI) and Contradiction Detection (CD). Arabic is considered a resource-poor language, meaning that there are few data sets available, which leads to limited availability of NLP methods. To overcome this limitation, we create a dedicated data set from publicly available resources. Subsequently, transformer-based machine learning models are being trained and evaluated. We find that a language-specific model (AraBERT) performs competitively with state-of-the-art multilingual approaches, when we apply linguistically informed pre-training methods such as Named Entity Recognition (NER). To our knowledge, this is the first large-scale evaluation for this task in Arabic, as well as the first application of multi-task pre-training in this context.
Airborne and spaceborne platforms are the primary data sources for large-scale forest mapping, but visual interpretation for individual species determination is labor-intensive. Hence, various studies focusing on forests have investigated the benefits of multiple sensors for automated tree species classification. However, transferable deep learning approaches for large-scale applications are still lacking. This gap motivated us to create a novel dataset for tree species classification in central Europe based on multi-sensor data from aerial, Sentinel-1 and Sentinel-2 imagery. In this paper, we introduce the TreeSatAI Benchmark Archive, which contains labels of 20 European tree species (i.e., 15 tree genera) derived from forest administration data of the federal state of Lower Saxony, Germany. We propose models and guidelines for the application of the latest machine learning techniques for the task of tree species classification with multi-label data. Finally, we provide various benchmark experiments showcasing the information which can be derived from the different sensors including artificial neural networks and tree-based machine learning methods. We found that residual neural networks (ResNet) perform sufficiently well with weighted precision scores up to 79 % only by using the RGB bands of aerial imagery. This result indicates that the spatial content present within the 0.2 m resolution data is very informative for tree species classification. With the incorporation of Sentinel-1 and Sentinel-2 imagery, performance improved marginally. However, the sole use of Sentinel-2 still allows for weighted precision scores of up to 74 % using either multi-layer perceptron (MLP) or Light Gradient Boosting Machine (LightGBM) models. Since the dataset is derived from real-world reference data, it contains high class imbalances. We found that this dataset attribute negatively affects the models' performances for many of the underrepresented classes (i.e., scarce tree species). However, the class-wise precision of the best-performing late fusion model still reached values ranging from 54 % (Acer) to 88 % (Pinus). Based on our results, we conclude that deep learning techniques using aerial imagery could considerably support forestry administration in the provision of large-scale tree species maps at a very high resolution to plan for challenges driven by global environmental change. The original dataset used in this paper is shared via Zenodo (https://doi.org/10.5281/zenodo.6598390, Schulz et al., 2022). For citation of the dataset, we refer to this article.
Bionik
(2022)
Wie machen die das… kann angesichts der erstaunlichen Fähigkeiten mancher Lebewesen gefragt werden. Die Bionik fragt noch weiter …und wie kann man das nachmachen? Hier liegt ein Schwerpunkt dieses Lehrbuches, das die Bionik nicht nur an zahlreichen Beispielen erklärt, sondern auch eine Vorgehensweise für die Identifizierung biologischer Lösungen und deren Übertragung auf technische Anwendungen vermittelt. Basisinformationen der Biologie und Grundlagen der Konstruktionstechnik gewährleisten einen leichten Zugang zum Stoff. Mit dem 3D-Druck als Schlüsseltechnologie und der Thematisierung der Nachhaltigkeit geht das Buch zudem auf aktuelle Entwicklungen ein. Dieser ganzheitliche Blick auf die Bionik soll den Leser zur Durchführung bionischer Projekte befähigen und motivieren. Die vorliegende Auflage wurde überarbeitet und um aktuelle Forschungserkenntnisse und Entwicklungen ergänzt. (Verlagsangaben)
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.
In this paper, modeling of piston and generic type gas compressors for a globally convergent algorithm for solving stationary gas transport problems is carried out. A theoretical analysis of the simulation stability, its practical implementation and verification of convergence on a realistic gas network have been carried out. The relevance of the paper for the topics of the conference is defined by a significance of gas transport networks as an advanced application of simulation and modeling, including the development of novel mathematical and numerical algorithms and methods.
Introduction of Matrix-Filler Adhesion to Modelling of Elastic Moduli of Particulate Composites
(2022)
Cube in cube elementary volume (EV) concept serves to predict a filler-content dependent Young´s moduli of particle filled composites using moduli of a matrix EM and a filler EF. Paul and Ishai-Cohen derived formulas for composites moduli considering different load transfer boundaries in the EV assuming a complete filler-matrix adhesion. In this paper it is confirmed that their models represent the upper and lower bounds, respectively, with the respect to the experimental data. However, in vast majority of composites a filler-matrix adhesion is not complete. Therefore, an adhesion factor kadh gaining values between 0 and 1 was introduced into Paul´s model to consider the reduced adhesion as the reduction of the filler-matrix contact area for glass beads filled in polar and unpolar thermoplastic matrices as well as elastomer. The evaluation of these composite systems provides reasonable adhesion coefficients of PA66 > PBT > PP > PE-LD >> BR. It was also found that stiffening only occurs if kadh exceeds the minimum value adhesion of root square of E(M) divided by E(F). The determined kadh correspond to scanning electron microscopy observations of the composites fracture surfaces. Additionally, finite element analysis of the cubic and hexagonal arrangements of the EV show that the stress distributions are different, but they affect the calculated moduli only for the filler volume contents exceeding 20 %. The introduction of the filler-matrix adhesion provides more reliable predictions of Young´s moduli of particulate composites.
In this paper, an analysis of the error ellipsoid in the space of solutions of stationary gas transport problems is carried out. For this purpose, a Principal Component Analysis of the solution set has been performed. The presence of unstable directions is shown associated with the marginal fulfillment of the resistivity conditions for the equations of compressors and other control elements in gas networks. Practically, the instabilities occur when multiple compressors or regulators try to control pressures or flows in the same part of the network. Such problems can occur, in particular, when the compressors or regulators reach their working limits. Possible ways of resolving instabilities are considered.
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, recalculated using an elementary volume approach which transforms spherical inclusions to cubic inclusions. The EV approach led to expression for the composites moduli that allow for introducing an adhesion factor kadh ranging from 0 and 1 to take into account none perfect 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 <span class="math-tex">\( { \ \sqrt{E^M/E^F} \ }\) 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.
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.