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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.
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.
Mikrostrukturen auf Oberflächen bestimmen häufig deren physikalische Eigenschaften. Die üblichen Methoden zur Herstellung von mikrostrukturierten Oberflächen wie Fotolithografie sind aber teuer und aufwändig. Daher wird schon lange die schnelle und günstige Methode der Abformung genutzt, um Gegenstände mit Mikrostrukturen herzustellen
[1,2]. Zur Nutzung als Positiv für die Abformung können Oberflächen zum Beispiel mit Fotolithografie hergestellt werden, oder es können mikrostrukturierte Objekte aus der Natur verwenden werden. Mittels Fotolithografie können aber keine gewölbten Oberflächen mit Mikrostrukturen versehen werden und mikrostrukturierte Oberflächen aus der Natur sind meist eher klein. In dieser Arbeit wurde daher nach sehr kleinen mikrostrukturierten Objekten gesucht, die nebeneinander auf eine (auch gewölbte) Oberfläche aufgebracht werden können, um diese anschließend abzuformen. Die besten Resultate ergaben mit Bärlappsporen beschichtete Oberflächen als Positive. Replikate dieser Oberflächen zeigen einen um 30° höheren Kontaktwinkel als das unstrukturierte Material.
We propose a quantum-mechanical model to calculate the current through a single molecular junction immersed in a solvent and surrounded by a thin shell of bound water under an applied ac voltage. The solvent plus hydration shell are captured by a dielectric continuum model for which the resulting spectral density is determined. Here the dielectric properties, e.g., the Debye relaxation time and the dielectric constant, of the bulk solvent and the hydration shell as well as the shell thickness directly enter. We determine the charge current through the molecular junction under an ac voltage in the sequential tunneling regime where we solve a quantum master equation by a real-time diagrammatic technique. Interestingly, the Fourier components of the charge current show an exponential-like decline when the hydration shell thickness increases. Finally, we apply our findings to binary solvent mixtures with varying volume fractions and find that the current is highly sensitive to both the hydration shell thickness as well as the volume fraction of the solvent mixture, giving rise to possible applications as shell and concentration sensors on the molecular scale.
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.
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.
At the integration sprint of the E-DRZ consortium in march 2023 we improve the information captured by the human spotter (of the fire brigade) by extending him through a 360° drone. The UAV needs 3 minutes to capture the outdoor scenario and the hall from inside and outside. The hall ist about 70 x 20 meters. When the drone is landed we have all information in 360° degree at 5.7k as you can see it in the video. Furthermore it is a perfect documentation of the deployment scenario. In the next video we will show how to spatial localize the 360° video and how to generate a 3D point cloud from it.
At the integration sprint of the E-DRZ consortium in march 2023 we improve the information captured by the human spotter (of the fire brigade) by extending him through a 360° drone i.e. the DJI Avata with an Insta360 on top of it. The UAV needs 3 minutes to capture the outdoor scenario and the hall from inside and outside. The hall ist about 70 x 20 meters. When the drone is landed we have all information in 360° degree at 5.7k as you can see it in the video. Furthermore it is a perfect documentation of the deployment scenario. In the next video we will show how to spatial localize the 360° video and how to generate a 3D point cloud from it.
Gaussian Splatting: 3D Reconstruction of a Chemical Company After a Tank Explosion in Kempen 8/2023
(2023)
The video showcases a 3D model of a chemical company following a tank explosion that occurred on August 17, 2023, in Kempen computed with the gaussian splatting algorithm. Captured by a compact mini drone measuring 18cm x 18cm and equipped with a 360° camera, these images offer an intricate perspective of the aftermath. The computation need 29 minutes and uses 2770 images (~350 equirectangular images). After a comprehensive aerial survey and inspection of the 360° images taken within the facility, authorities confirmed that it was safe for the evacuated residents to return to their homes. See also:
https://www1.wdr.de/fernsehen/aktuelle-stunde/alle-videos/video-grosser-chemieunfall-in-kempen-100.html
Fälle zum Europarecht
(2023)