DaRUS (University of Stuttgart)
Not a member yet
2037 research outputs found
Sort by
Datasets: 100 Heat Pumps + Synthetic Permeability Fields, Simulation - Raw, 101 Data Points
No full textThis data set serves as training and testing data for modelling the temperature field emanating from open loop groundwater heat pumps (100, randomly placed). It is simulated with Pflotran and saved in h5 format. It contains 101 data points, each consisting of one simulation run until a quasi-steady state is reached. Each data point measures 12.8 km x 12.8 km x 5 m with 2560 x 2560 x 1 cells.
The varying parameters of the data sets are the positions of the heat pumps and a heterogeneous permeability field (Perlin noise, fixed min/max value). Other parameters that define the data sets, such as porosity and hydraulic pressure gradient are chosen to be as close as possible to reality.
Source: "Die hydraulischen Grundwasserverhältnisse des quartären und des oberflächennahen tertiären Grundwasserleiters im Großraum München", Geologica Bavarica Volume 122. <br
Replication data for Detection and Characterization of Hydride Ligands in Copper Complexes by Hard X‐ray Spectroscopy
No full textTransition metal complexes, particularly copper hydrides, play an important role in various catalytic processes and molecular inorganic chemistry. This study employs synchrotron hard X‐ray spectroscopy to gain insights into the geometric and electronic properties of copper hydrides as potential catalysts for CO2 hydrogenation. The potential of high energy resolution X‐ray absorption near‐edge structure (HERFD‐XANES) and valence‐to‐core X‐ray emission (VtC‐XES) is demonstrated with measurement on Stryker's reagent (Cu6H6) and [Cu3(μ3‐H)(dpmppe)2](PF6)2 (Cu3H), alongside a non‐hydride copper compound (Cu‐I). The XANES analysis reveals that coordination geometries strongly influence the spectra, providing only indirect details about hydride coordination. The VtC‐XES analysis exhibits a distinct signal around 8975 eV, offering a diagnostic tool to identify hydride ligands. Theoretical calculations support and extend these findings by comparing hydride‐containing complexes with their hydride‐free counterparts
Replication Data for: Concept and Development of a Novel Timber Spring for Impact Sound Reduction in Timber Floor Slabs
No full textThis repository contains the experimental data and documentation from the acoustic investigation presented in the related publication. The dataset includes small- and large-scale experimental measurements used to determine the structrual velocity characteristics and to calculate the sound reduction index (R) values and the normalized impact sound pressure levels (Ln,w).
The repository includes PDF files of drawings that show the precise positioning of the measurement equipment for all test configurations. Experimental data is provided in CSV format, containing velocity level, sound pressure level, reverberation time and quiescent level measurements
Data for: Development and validation of an electron temperature-dependent interaction potential for silicon and copper for the use in atomistic simulations of laser ablation
No full textThis data set includes DFT and MD data that was used for the paper "Development and validation of an electron temperature-dependent interaction potential for silicon and copper for the use in atomistic simulations of laser ablation".
In each folder, the respective data as well as analysis and visualization scripts written in Python are given.
Single_atom_energies.zip:
DFT data for the determination of the energies of single atoms for the determination of the cohesive energies
Potential_development.zip:
Cu_[TC] for electron temperature 10*[TC] in eV
DFT reference data (Production), resulting configuration files for use in potfit (all_configs_FE_cohesive), several validation methods (Validation)
potfit input files
Potential_fit.zip:
Collection of the independent potfit parameters (potfit_parameters.dat) and scripts for the fit of the interpolated potentials
Elastic_constants.zip:
Data for the determination of the elastic constants
Divided in DFT data and MD data, data for copper and data for silicon
TC_[TC] is folder of respective material at electron temperature 10*[TC] in eV
Free_energy_curves_pressures.zip:
Data for the determination of the free energy curves
Divided in DFT data and MD data, data for copper and data for silicon
For DFT data: Cu_[TC] for copper and Si_[TC] for silicon, electron temperature 10*[TC] in eV
For MD data: TC_[TC], electron temperature [TC] in eV
Heat_capacity.zip:
Data for the determination of the heat capacity
Divided in data for copper and data for silicon
For each material, there are five sets of data (Run_1, ...), each for different starting condition
TC_[TC], electron temperature [TC] in eV
Melting_temperature.tar:
Data for the determination of the melting temperature
Divided in data for copper and data for silicon
For each material, there are five sets of data (Run_1, ...), each for different starting condition
TC_[TC], electron temperature [TC] in eV
Phonon_spectra.zip:
Data for determination of the phonon spectra
Divided in DFT data and MD data, data for copper and data for silicon
For DFT data: Cu_[TC] for copper, Si_[TC] for silicon with electron temperature 10*[TC] in eV
For MD data (copper): TC_[TC] for electron temperature 10*[TC] in eV
For MD data (silicon): TC_[TC] for electron temperature [TC] in K
Pressure.zip:
Data for determination of the pressures
Divided in DFT data and MD data
DFT: Data for the determination of the pressures from free energy curves (Expansion) and directly (Fixed)
Expansion: Cu_FCC_[TC] (copper) and Si_DIA_[TC] (silicon) for electron temperature 10*[TC] in eV
Fixed: Cu_[TC] (copper) and Si_[TC] (silicon) for electron temperature 10*[TC] in eV
MD: Data of the pressures directly, Cu_[TC] (copper) and Si_[TC] (silicon) for electron temperature 10*[TC] in eV
</ul
Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
No full textThe data that support the findings of the article "Classical density functional theory for alkane adsorption in cationic Faujasites: comparison with grand canonical Monte Carlo simulations". The dataset includes all adsorption data obtained from GCMC simulations (data_gcmc), from classical DFT calculations (data_dft) and RASPA input files (raspa). The GCMC data and RASPA input files are separated into folders that corresponds to different force fields applied as in the publication
Collective Robotic Construction (CRC) Research Projects organized by Architectural Design Approach
No full textThis dataset contains the results of a database search to obtain research articles related to collective robotic construction (CRC). The database search criteria can be found in the related publication:
Leder, S., Menges, A.: 2023, Architectural design in collective robotic construction. Automation in Construction, Vol. 156, p. 105082. (DOI: 10.1016/j.autcon.2023.105082).
The found research articles are sorted by their relevance to the research topic of CRC and then if applicable, are categorized by the three dimension discussed in the paper, (1) design description, (2) goal specification, and (3) execution. The question that define the categorizaton at each dimension are as follows:
Is the architectural design known before construction?
How is architectural design communicated to the robots?
When is the robotic planning of the architectural design executed?
</ol
Replication Data for: Origin of Stereoselectivity in Ring Opening Metathesis Polymerization with Cationic Molybdenum Imido Alkylidene CAAC Complexes
No full textIn this dataset, all simulation data are listed. That includes all geometry optimizations and preceding CREST calculations for the first monomer along the mechanism described in the referenced paper. The calculations for each system can be found in the directory named after the monomer and the subdirectory named after the catalyst. All structures are named "*.xyz" and the input-files are named "*.chm" and the output-files are named "out". The third directory contains the python script used to calculate the fit function from the steric data extracted from the optimized geometries and the Excel table containing the statistical data of the fit
Replication Data for: GPRat: Gaussian Process Regression with Asynchronous Tasks
No full textThis repository complements the identically titled paper submitted to WAMTA 2025 and allows to reproduce the published results. For a more description please consider the README.md file
DuMuX code for: "Coupled free-flow-porous media flow processes including drop formation"
No full textThis dataset contains the source code used for the dissertation "Veyskarami, M. (2023). Coupled free-flow-porous media flow processes including drop formation" (http://dx.doi.org/10.18419/opus-13894)
Point Clouds of the livMatS Biomimetic Shell at Various Stages of the Construction Process
No full textThe data set contains the point clouds of different construction stages of the of the building demonstrator 'livMatS Biomimetic Shell' during the manufacturing process, as well as a point cloud of the pavilion after construction of the shell.
The data is named according to the numbering of the most recently built element, which does not necessarily correspond to chronological order.
The first eight files, each with a two-digit number at the beginning of the file name, represent the ID of the cassette built for the respective scan. The FIT_gesamt file represents the final scan after all cassettes have been assembled