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Deposit Date: 2022 Software Name: Python

1 to 10 of 14 Results

Supporting Information: Chemical Potential Differences in Nanoscopic Teflon/Kapton Capillaries Jun 6, 2024 - PN 1-8 Stärk, Philipp; Schlaich, Alexander, 2024, "Supporting Information: Chemical Potential Differences in Nanoscopic Teflon/Kapton Capillaries", https://doi.org/10.18419/darus-3149, DaRUS, V1 This is the repository holding the supporting information for atomistic Molecular Dynamics Simulations of Teflon/Kapton capillaries. Here we list the simulation input scripts as well as analysis scripts. See the README file for more information.
Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations" Mar 13, 2023 - Holm group Gravelle, Simon; Beyer, David; Brito, Mariano E.; Schlaich, Alexander; Holm, Christian, 2023, "Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"", https://doi.org/10.18419/darus-3313, DaRUS, V1 Simulations and data analysis scripts for the publication "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations". The dataset contains two types of simulation scripts: all-atom simulation (GROMACS) and coarse-grained simulations (ESPRESSO). In b...
Molecular simulation scripts for slit nanopores Mar 9, 2023 - NMR investigation of water confined by salt interface Gravelle, Simon; Holm, Christian; Schlaich, Alexander, 2023, "Molecular simulation scripts for slit nanopores", https://doi.org/10.18419/darus-3180, DaRUS, V1 GROMACS molecular simulation input files for slit nanopores made of NaCl and Na2SO4 solid walls, and filled with respectively NaCl and Na2SO4 solutions. Initial configuration with a given salt concentration can be generated using the Python script ConfigurationGenerator.py, and s...
Data for: Measurement Campaign of Gaseous CO2 Concentrations in a Karst Cave with Aqueous Concentrations in a Stagnant Water Column 2021-2022. Feb 13, 2023 - C04: Pore-scale and REV-scale approaches to biological and chemical pore-space alteration in porous media Keim, Leon; Class, Holger; Schirmer, Larissa; Wendel, Kai; Strauch, Bettina; Zimmer, Martin, 2023, "Data for: Measurement Campaign of Gaseous CO2 Concentrations in a Karst Cave with Aqueous Concentrations in a Stagnant Water Column 2021-2022.", https://doi.org/10.18419/darus-3271, DaRUS, V1 This dataset contains data generated during the measurement campaign inside the karst cave. The CO2 sensors in the cave air will continue to measure (as of Feb. 2023). For details on the site etc. see https://doi.org/10.3390/geosciences13020051 To create the graphs in the Class e...
Image enhancement code: time-resolved tomograms of EICP application using 3D U-net Feb 7, 2023 - Publication: Machine learning assists in increasing the time resolution of X-ray tomography Lee, Dongwon; Steeb, Holger, 2023, "Image enhancement code: time-resolved tomograms of EICP application using 3D U-net", https://doi.org/10.18419/darus-2991, DaRUS, V1 This dataset contains the codes to reproduce the results of "Time resolved micro-XRCT dataset of Enzymatically Induced Calcite Precipitation (EICP) in sintered glass bead columns", cf. https://doi.org/10.18419/darus-2227. The code takes "low-dose" images as an input where the ima...
Continuum-mechanical Forward Simulation Results of a Human Upper-limb Model Under Varying Muscle Activations Jan 30, 2023 - PN 7-6 Kneifl, Jonas; Rosin, David; Avci, Okan; Röhrle, Oliver; Fehr, Jörg, 2023, "Continuum-mechanical Forward Simulation Results of a Human Upper-limb Model Under Varying Muscle Activations", https://doi.org/10.18419/darus-3302, DaRUS, V1 This dataset provides simulation results from a high-fidelity human upper-arm finite element model under varying muscle activations and an example script to load the data. The upper arm model consists of the bones of the radius and ulna for the forearm and the humerus for the upp...
MPIIMobileAttention Nov 30, 2022 - Perceptual User Interfaces Bulling, Andreas, 2022, "MPIIMobileAttention", https://doi.org/10.18419/darus-3285, DaRUS, V1 This is a novel long-term dataset of everyday mobile phone interactions, continuously recorded from 20 participants engaged in common activities on a university campus over 4.5 hours each (more than 90 hours in total).
Python implementation of heat accumulation equations for additive manufacturing Nov 7, 2022 - Institut für Strahlwerkzeuge Hagenlocher, Christian, 2022, "Python implementation of heat accumulation equations for additive manufacturing", https://doi.org/10.18419/darus-2609, DaRUS, V1 This is a python implementation of the heat accumulation equations, which describe the increase of the residual temperature in additive manufacturing. The Derivation of the equations is described in the related paper given below. If you run the script in the console, it creates t...
Uncertainty visualization: Fundamentals and recent developments, code to produce data and visuals used in Section 5 Oct 11, 2022 - SFB-TRR 161 B07 "Computational Uncertainty Quantification" Beschle, Cedric; Barth, Andrea, 2022, "Uncertainty visualization: Fundamentals and recent developments, code to produce data and visuals used in Section 5", https://doi.org/10.18419/darus-3154, DaRUS, V1 Python code to generate the meshes and FEM solutions to Section 5 of the paper Uncertainty visualization: Fundamentals and recent developments. Comments are in the code to explain it. Paraview is used for the visualization.
Data for: Experimental Validation of a Cycloidal Rotor URANS CFD Model and Geometric Parameter Optimization Sep 8, 2022 - Cyclorotor Donners, Leonard Jakob; Gagnon, Louis, 2022, "Data for: Experimental Validation of a Cycloidal Rotor URANS CFD Model and Geometric Parameter Optimization", https://doi.org/10.18419/darus-2812, DaRUS, V1 Cycloidal rotors offer many properties that are beneficial to VTOL (vertical take-off and landing) rotor concepts. Two examples are high manoeuvrability and low aerodynamic noise emission. These rotors use cyclically pitched axial blades to generate thrust and operate in highly u...

Supporting Information: Chemical Potential Differences in Nanoscopic Teflon/Kapton Capillaries

Jun 6, 2024 - PN 1-8

Stärk, Philipp; Schlaich, Alexander, 2024, "Supporting Information: Chemical Potential Differences in Nanoscopic Teflon/Kapton Capillaries", https://doi.org/10.18419/darus-3149, DaRUS, V1

This is the repository holding the supporting information for atomistic Molecular Dynamics Simulations of Teflon/Kapton capillaries. Here we list the simulation input scripts as well as analysis scripts. See the README file for more information.

Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"

Mar 13, 2023 - Holm group

Gravelle, Simon; Beyer, David; Brito, Mariano E.; Schlaich, Alexander; Holm, Christian, 2023, "Scripts for "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations"", https://doi.org/10.18419/darus-3313, DaRUS, V1

Simulations and data analysis scripts for the publication "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations". The dataset contains two types of simulation scripts: all-atom simulation (GROMACS) and coarse-grained simulations (ESPRESSO). In b...

Molecular simulation scripts for slit nanopores

Mar 9, 2023 - NMR investigation of water confined by salt interface

Gravelle, Simon; Holm, Christian; Schlaich, Alexander, 2023, "Molecular simulation scripts for slit nanopores", https://doi.org/10.18419/darus-3180, DaRUS, V1

GROMACS molecular simulation input files for slit nanopores made of NaCl and Na2SO4 solid walls, and filled with respectively NaCl and Na2SO4 solutions. Initial configuration with a given salt concentration can be generated using the Python script ConfigurationGenerator.py, and s...

Data for: Measurement Campaign of Gaseous CO2 Concentrations in a Karst Cave with Aqueous Concentrations in a Stagnant Water Column 2021-2022.

Feb 13, 2023 - C04: Pore-scale and REV-scale approaches to biological and chemical pore-space alteration in porous media

Keim, Leon; Class, Holger; Schirmer, Larissa; Wendel, Kai; Strauch, Bettina; Zimmer, Martin, 2023, "Data for: Measurement Campaign of Gaseous CO2 Concentrations in a Karst Cave with Aqueous Concentrations in a Stagnant Water Column 2021-2022.", https://doi.org/10.18419/darus-3271, DaRUS, V1

This dataset contains data generated during the measurement campaign inside the karst cave. The CO2 sensors in the cave air will continue to measure (as of Feb. 2023). For details on the site etc. see https://doi.org/10.3390/geosciences13020051 To create the graphs in the Class e...

Image enhancement code: time-resolved tomograms of EICP application using 3D U-net

Feb 7, 2023 - Publication: Machine learning assists in increasing the time resolution of X-ray tomography

Lee, Dongwon; Steeb, Holger, 2023, "Image enhancement code: time-resolved tomograms of EICP application using 3D U-net", https://doi.org/10.18419/darus-2991, DaRUS, V1

This dataset contains the codes to reproduce the results of "Time resolved micro-XRCT dataset of Enzymatically Induced Calcite Precipitation (EICP) in sintered glass bead columns", cf. https://doi.org/10.18419/darus-2227. The code takes "low-dose" images as an input where the ima...

Continuum-mechanical Forward Simulation Results of a Human Upper-limb Model Under Varying Muscle Activations

Jan 30, 2023 - PN 7-6

Kneifl, Jonas; Rosin, David; Avci, Okan; Röhrle, Oliver; Fehr, Jörg, 2023, "Continuum-mechanical Forward Simulation Results of a Human Upper-limb Model Under Varying Muscle Activations", https://doi.org/10.18419/darus-3302, DaRUS, V1

This dataset provides simulation results from a high-fidelity human upper-arm finite element model under varying muscle activations and an example script to load the data. The upper arm model consists of the bones of the radius and ulna for the forearm and the humerus for the upp...

MPIIMobileAttention

Nov 30, 2022 - Perceptual User Interfaces

Bulling, Andreas, 2022, "MPIIMobileAttention", https://doi.org/10.18419/darus-3285, DaRUS, V1

This is a novel long-term dataset of everyday mobile phone interactions, continuously recorded from 20 participants engaged in common activities on a university campus over 4.5 hours each (more than 90 hours in total).

Python implementation of heat accumulation equations for additive manufacturing

Nov 7, 2022 - Institut für Strahlwerkzeuge

Hagenlocher, Christian, 2022, "Python implementation of heat accumulation equations for additive manufacturing", https://doi.org/10.18419/darus-2609, DaRUS, V1

This is a python implementation of the heat accumulation equations, which describe the increase of the residual temperature in additive manufacturing. The Derivation of the equations is described in the related paper given below. If you run the script in the console, it creates t...

Uncertainty visualization: Fundamentals and recent developments, code to produce data and visuals used in Section 5

Oct 11, 2022 - SFB-TRR 161 B07 "Computational Uncertainty Quantification"

Beschle, Cedric; Barth, Andrea, 2022, "Uncertainty visualization: Fundamentals and recent developments, code to produce data and visuals used in Section 5", https://doi.org/10.18419/darus-3154, DaRUS, V1

Python code to generate the meshes and FEM solutions to Section 5 of the paper Uncertainty visualization: Fundamentals and recent developments. Comments are in the code to explain it. Paraview is used for the visualization.

Data for: Experimental Validation of a Cycloidal Rotor URANS CFD Model and Geometric Parameter Optimization

Sep 8, 2022 - Cyclorotor

Donners, Leonard Jakob; Gagnon, Louis, 2022, "Data for: Experimental Validation of a Cycloidal Rotor URANS CFD Model and Geometric Parameter Optimization", https://doi.org/10.18419/darus-2812, DaRUS, V1

Cycloidal rotors offer many properties that are beneficial to VTOL (vertical take-off and landing) rotor concepts. Two examples are high manoeuvrability and low aerodynamic noise emission. These rotors use cyclically pitched axial blades to generate thrust and operate in highly u...

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