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- 2023 (130) (entfernen)
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Jdpd - An open Java Simulation Kernel for Molecular Fragment Dissipative Particle Dynamics (DPD)
Jdpd is an open Java simulation kernel for Molecular Fragment Dissipative Particle Dynamics (DPD) with parallelizable force calculation, efficient caching options and fast property calculations. It is characterized by an interface and factory-pattern driven design for simple code changes and may help to avoid problems of polyglot programming. Detailed input/output communication, parallelization and process control as well as internal logging capabilities for debugging purposes are supported. The kernel may be utilized in different simulation environments ranging from flexible scripting solutions up to fully integrated “all-in-one” simulation systems like MFsim.
Since Jdpd version 1.6.1.0 Jdpd is available in a (basic) double-precision version and a (derived) single-precision version (= JdpdSP) for all numerical calculations, where the single precision version needs about half the memory of the double precision version.
Jdpd uses the Apache Commons Math and Apache Commons RNG libraries and is published as open source under the GNU General Public License version 3. This repository comprises the Java bytecode libraries (including the Apache Commons Math and RNG libraries), the Javadoc HTML documentation and the Netbeans source code packages including Unit tests.
Jdpd has been described in the scientific literature (the final manuscript 2018 - van den Broek - Jdpd - Final Manucsript.pdf is added to the repository) and used for DPD studies (see references below).
See text file JdpdVersionHistory.txt for a version history with more detailed information.
MFsim - An open Java all-in-one rich-client simulation environment for mesoscopic simulation
MFsim is an open Java all-in-one rich-client computing environment for mesoscopic simulation with Jdpd as its default simulation kernel for Molecular Fragment Dissipative Particle Dynamics (DPD). The environment integrates and supports the complete preparation-simulation-evaluation triad of a mesoscopic simulation task. Productive highlights are a SPICES molecular structure editor, a PDB-to-SPICES parser for particle-based peptide/protein representations, a support of polymer definitions, a compartment editor for complex simulation box start configurations, interactive and flexible simulation box views including analytics, simulation movie generation or animated diagrams. As an open project, MFsim enables customized extensions for different fields of research.
MFsim uses several open libraries (see MFSimVersionHistory.txt for details and references below) and is published as open source under the GNU General Public License version 3 (see LICENSE).
MFsim has been described in the scientific literature and used for DPD studies.
Durch den digitalen Wandel haben Kommunen neue Entwicklungsmöglichkeiten im Bereich der Smart City. Diese Arbeit stellt eine Übersicht darüber dar, wie mithilfe von IoT, Big Data, Datenbanken, Digitalen Zwillingen und weiteren Technologien, eine Mikroklima-Analyse und Steuerung ermöglicht werden kann.
Article 134 TFEU
(2023)
Article 135 TFEU
(2023)
Fälle zum Europarecht
(2023)
In this paper, we investigate the influence of different disease groups on the size of different 1 anatomical structures. To this end, we first modify and improve an existing anatomical segmentation 2 model. Then, we use this model to segment 104 anatomical structures from computed tomography 3 (CT) scans and compute their volumes from the segmentation. After correlating the results with each 4 other, we find no new significant correlations. After correlating the volume data with known diseases 5 for each case, we find two weak correlations, one of which has not been described before and for 6 which we present a possible explanation.
In this paper, we present a method for detecting objects of interest, including cars, humans, and fire, in aerial images captured by unmanned aerial vehicles (UAVs) usually during vegetation fires. To achieve this, we use artificial neural networks and create a dataset for supervised learning. We accomplish the assisted labeling of the dataset through the implementation of an object detection pipeline that combines classic image processing techniques with pretrained neural networks. In addition, we develop a data augmentation pipeline to augment the dataset with utomatically labeled images. Finally, we evaluate the performance of different neural networks.
In the realm of digital situational awareness during disaster situations, accurate digital representations,
like 3D models, play an indispensable role. To ensure the
safety of rescue teams, robotic platforms are often deployed
to generate these models. In this paper, we introduce an
innovative approach that synergizes the capabilities of compact Unmaned Arial Vehicles (UAVs), smaller than 30 cm, equipped with 360° cameras and the advances of Neural Radiance Fields (NeRFs). A NeRF, a specialized neural network, can deduce a 3D representation of any scene using 2D images and then synthesize it from various angles upon request. This method is especially tailored for urban environments which have experienced significant destruction, where the structural integrity of buildings is compromised to the point of barring entry—commonly observed post-earthquakes and after severe fires. We have tested our approach through recent post-fire scenario, underlining the efficacy of NeRFs even in challenging outdoor environments characterized by water, snow, varying light conditions, and reflective surfaces.
Desert ants Cataglyphis spec. monitor inclination and distance covered through force-based sensing in their legs. To transfer this mechanism to legged robots, artificial neural networks are used to determine the inclination angle of an experimental ramp from the motor data of the legs of a commercial hexapod walking robot. It is possible to determine the inclination angle of the ramp based on the motor data of the robot legs read out during a run. The result is independent of the weight and orientation of the robot on the ramp and hence robust enough to serve as an independent odometer.
Biomechanische Untersuchungen zum Öffnungsmechanismus von verholzten Früchten der Gattung Hakea
(2023)
Die Arten H. sericea und H. salicifolia (Proteaceae) sind in Australien heimisch. Ihr natürlicher Lebensraum ist trocken und nährstoffarm, und sie sind regelmäßig Buschbränden ausgesetzt. Durch den Feuchtigkeitsverlust “schrumpft“ die Frucht und öffnet sich, wobei zwei Samen freigesetzt werden. Diese Arbeit vergleicht das Öffnungsverhalten von manipulierten Früchten, das Schwindmaß, die Öffnungskraft, den Elastizitätsmodul und die Druckfestigkeit der beiden Arten und untersucht den Einfluss verschiedener Gewebe auf die Öffnung. Es wird festgestellt, dass das Mesokarp hauptsächlich für das anisotrope Schwindverhalten verantwortlich ist.
n-type silicon modules
(2023)
The photovoltaic industry is facing an exponential growth in the recent years fostered by a dramatic decrease in installation prices. This cost reduction is achieved by means of several mechanisms. First, because of the optimization of the design and installation process of current PV projects, and second, by the optimization, in terms of performance, in the manufacturing techniques and material combinations within the modules, which also has an impact on both, the installation process, and the levelized cost of electricity (LCOE).
One popular trend is to increase the power delivered by photovoltaic modules, either by using larger wafer sizes or by combining more cells within the module unit. This solution means a significant increase in the size of these devices, but it implies an optimization in the design of photovoltaic plants. This results in an installation cost reduction which turns into a decrease in the LCOE.
However, this solution does not represent a breakthrough in addressing the real challenge of the technology which affects the module requirements. The innovation efforts must be focused on improving the modules capability to produce energy without enlarging the harvesting area. This challenge can be faced by approaching some of the module characteristics which are summarized in this chapter.
In this work a mathematical approach to calculate solar panel temperature based on measured irradiance, temperature and wind speed is applied. With the calculated module temperature, the electrical solar module characteristics is determined. A program developed in MatLab App Designer allows to import measurement data from a weather station and calculates the module temperature based on the mathematical NOCT and stationary approach with a time step between the measurements of 5 minutes. Three commercially available solar panels with different cell and interconnection technologies are used for the verification of the established models. The results show a strong correlation between the measured and by the stationary model predicted module temperature with a coefficient of determination R2 close to 1 and a root mean square deviation (RMSE) of ≤ 2.5 K for a time period of three months. Based on the predicted temperature, measured irradiance in module plane and specific module information the program models the electrical data as time series in 5-minute steps. Predicted to measured power for a time period of three months shows a linear correlation with an R2 of 0.99 and a mean absolute error (MAE) of 3.5, 2.7 and 4.8 for module ID 1, 2 and 3. The calculated energy (exemplarily for module ID 2) based on the measured, calculated by the NOCT and stationary model for this time period is 118.4 kWh, resp. 116.7 kWh and 117.8 kWh. This is equivalent to an uncertainty of 1.4% for the NOCT and 0.5% for the stationary model.
Advanced Determination of Temperature Coefficients of Photovoltaic Modules by Field Measurements
(2023)
In this work data from outdoor measurements, acquired over the course of up to three years on commercially available solar panels, is used to determine the temperature coefficients and compare these to the information as stated by the producer in the data sheets. A program developed in MatLab App Designer allows to import the electrical and ambient measurement data. Filter algorithms for solar irradiance narrow the irradiance level down to ~1000 W/m2 before linear regression methods are applied to obtain the temperature coefficients. A repeatability investigation proves the accuracy of the determined temperature coefficients which are in good agreement to the supplier specification if the specified values for power are not larger than -0.3%/K. Further optimization is achieved by applying wind filter techniques and days with clear sky condition. With the big (measurement) data on hand it was possible to determine the change of the temperature coefficients for varying irradiance. As stated in literature we see an increase of the temperature coefficient of voltage and a decline for the temperature coefficient of power with increasing irradiance.
The German supply chain law ( Lieferkettensorgfaltspflichtengesetz, abbreviated: LkSG) which enters into force on 1 January 2023 is part of the developing legal framework for human rights in global supply chains. Like the French vigilance law, it represents a new generation of supply chain laws which impose mandatory human rights due diligence obligations. The LkSG requires enterprises to exercise a number of due diligence obligations – from conducting risk analysis to undertaking preventive measures or remedial actions. The law is based on public enforcement via a competent authority, the Federal Office for Economic Affairs and Export Control (BAFA). The BAFA monitors and enforces compliance with the due diligence obligations. Non-compliant enterprises can be fined with up to 800,000 Euros and, in some cases, up to 2% of the annual turnover. Whilst the LkSG is an important step towards achieving greater corporate sustainability, it also has limitations. It was a political compromise and, as such, it does not include a new civil liability for non-compliance. Moreover, by default, it only applies to the enterprise’s own business area and its direct suppliers, whereas indirect suppliers are only included where the enterprise has substantiated knowledge that an obligation has been violated.
This chapter is a commentary on Principle 20 of the United Nations Guiding Principles on Business and Human Rights (UNGPs). The UNGPs, endorsed by the United Nations Human Rights Council in 2011, are the first universally accepted framework for addressing business responsibilities for human rights. They outline State obligations to protect human rights, businesses’ responsibility to respect human rights, and the importance of both States and businesses offering adequate remedies for human rights breaches.
This chapter is a commentary on Principle 21 of the United Nations Guiding Principles on Business and Human Rights (UNGPs). The UNGPs, endorsed by the United Nations Human Rights Council in 2011, are the first universally accepted framework for addressing business responsibilities for human rights. They outline State obligations to protect human rights, businesses’ responsibility to respect human rights, and the importance of both States and businesses offering adequate remedies for human rights breaches.
Um grünen Wasserstoff effizient als Energieträger nutzen zu können, ist die Entwicklung von haltbaren und aktiven Katalysatorschichten für Brennstoffzellen und Elektrolyseuren von äußerster Wichtigkeit. Eine große Herausforderung ist, dass konventionelle C/Pt-Katalysatoren eine starke Korrosionsreaktion durchlaufen und mit hohen Kosten verknüpft sind. Weswegen alternative Kohlenstoffträger wie Kohlenstoffnanofaser-Materialien entwickelt wurden, welche eine längere Haltbarkeit aufweisen können. In dieser Arbeit wurde die Aufbringung von Pt- und Ir-Nanopartikeln auf gesponnene Kohlenstoffnanofaser-Vliese untersucht. Es wurden erstmals in einer Flüssigkeit laserablatierte Pt-Nanoartikel mit einem PAN-Vlies versponnen oder in einem zweiten Syntheseverfahren auf ein Vlies aufgesprüht. Diese Methoden wurden mit der gepulsten galvanischen Abscheidung von Pt auf einem PAN-Vlies verglichen. Die Vliese wurden bezüglich ihres Graphitisierungsgrades, ihrer Partikelverteilung und ihrer Beständigkeit untersucht, einschließlich des Einflusses der Karbonisierungstemperatur. Die Raman- und XRF-Messungen ergaben eine Erhöhung des Graphitisierungsgrades und eine Abnahme der PAN-Reste mit dem Anstieg der Karbonisierungstemperatur. Elektrochemische Messungen und REM-Aufnahmen bestätigten die erfolgreiche Synthese von langzeitstabilen CNF-Vliesen mit einer hohen massenspezifischen aktiven Platinoberfläche und einer guten Nanopartikelverteilung. Diese Ergebnisse tragen zur Entwicklung von ökologischen und ökonomischen Katalysatorschichten bei.
The number of publications describing chemical structures has increased steadily over the last decades. However, the majority of published chemical information is currently not available in machine-readable form in public databases. It remains a challenge to automate the process of information extraction in a way that requires less manual intervention - especially the mining of chemical structure depictions. As an open-source platform that leverages recent advancements in deep learning, computer vision, and natural language processing, DECIMER.ai (Deep lEarning for Chemical IMagE Recognition) strives to automatically segment, classify, and translate chemical structure depictions from the printed literature. The segmentation and classification tools are the only openly available packages of their kind, and the optical chemical structure recognition (OCSR) core application yields outstanding performance on all benchmark datasets. The source code, the trained models and the datasets developed in this work have been published under permissive licences. An instance of the DECIMER web application is available at https://decimer.ai.
Wie Datenräume helfen, neue Geschäftsmodelle zu entwickeln : sicher, vertrauenswürdig und dezentral
(2023)
In der heutigen Zeit werden sehr große Datenmengen generiert und verwaltet, dennoch wird der Wert der Daten in Deutschland und Europa noch nicht voll ausgeschöpft. Die gemeinsame Nutzung von Daten kann und soll datengetriebene Anwendungen noch weiter vorantreiben, bei der Erfüllung regulatorischer Anforderungen helfen sowie einen finanziellen Mehrwert für Firmen schaffen. Viele kleine bis mittelständische Unternehmen zögern derzeit jedoch, Daten untereinander auszutauschen, weil sie befürchten, die Hoheit über ihre Daten zu verlieren und nicht wissen, wer Zugriff auf die Daten hat und wofür die Daten verwendet werden.