Helmholtz Institute Freiberg for Resource Technology
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Data publication: Impedimetric Nanobiosensor for the Detection of SARS-CoV-2 Antigens and Antibodies
No full textThis publication includes datasets of electrical impedance spectroscopy measurements of the response of functionalized gold nanowires when interacting with antigens and antibodies related to SARS-CoV-2 in physiological conditions and in human plasma samples
Pressure evolution of electron dynamics in the superconducting kagome metal CsV₃Sb₅
No full textData from the publication are given in Origin format with Figure codes.
More data are available upon request
Data publication: Revealing Non-equilibrium and Relaxation in Warm Dense Matter
No full textAll data as needed to generate the figures in the manuscript
Data to the paper "Transport properties of Fe60Al40 during the B2 to A2 structural phase transition"
No full textArchive contatins all the data acquired with the respect to the paper mentioned in the title.
It is split in three folders by data type:
"Fabrication" folder contains all of the details related to the deposition, fabrication and testing of FeAl hall bars.
"Measurements" folder contains all experimental results. They are grouped by type (as subfolders) and then again by sample codes. Typically structure of the measurement subfolders are the following:
"Raw_data" - contains data in a form as it was acquired from the machine or very close to that.
"Cleaned_data" - contains processed raw_data according to the need for the specific plot. For example removal of extra columns, normalizations, unit conversions, fittings etc. Specific operations performed depend on the measurement type and described in "README.md" files.
"Plotting" - contatins Veusz (Free and Open source plotting software, https://veusz.github.io/) project files linked to the "Cleaned_data". Beware that moving the data on disk relative to the Veusz project file would destroy the links and the data files will have to be relinked. In order to avoid this created a copy of Veusz project and unlink all the datasets. This will embed the data within a project file and will make it independent from "Cleaned_data" file
"Modeling" contains results of auxilary calculations and numerical modeling.S.S., Md. S.A. and R.Ba. acknowlegde DFG project no. 322462997 (BA 5656/1-2— WE 2623/14-2) and J. S.-C., R. Bo. and R.Ba. achknowledge DFG project no. 456078299 (BA 5656/3-1| BO3310/11-1). Authors want to thank to Rysard Narkovic for COMSOL simulations of joule heating effects in FeAl Hall-bars. Also a big thanks to Rico Illing for assistance with wire bonding. Support by the Nanofabrication Facilities Rossendorf (NanoFaRo) and Ion Beam Center is gratefully acknowledged
Data publication: Analysis of Cadmium Retention Mechanisms by a Smectite Clay in the Presence of Carbonates
No full textCadmium (Cd) is a toxic heavy metal with very low permissible exposure limits and is, thus, a very dangerous pollutant for the environment and public health and is considered by the World Health Organisation as one of the ten chemicals of major public concern. Adsorption onto solid phases and (co)precipitation processes are the most powerful mechanisms to retain pollutants and limit their migration; thus, the understanding of these processes is fundamental for assessing the risks of their presence in the environment. In this study, the immobilisation of Cd by smectite clay has been investigated by batch sorption tests, and the experimental data were interpreted with a thermodynamic model, including cation exchange and surface complexation processes. The model can describe the adsorption of Cd in smectite under a wide range of experimental conditions (pH, ionic strength, and Cd concentration). Under the conditions analysed in this study, the precipitation of otavite (CdCO₃) is shown to have a limited contribution to Cd immobilisation
Multiphase Code Repository by HZDR for OpenFOAM Foundation Software
No full textThe Multiphase Code Repository by HZDR for OpenFOAM Foundation Software is a software publication released by Helmholtz-Zentrum Dresden-Rossendorf according to the FAIR principles (Findability, Accessibility, Interoperability, and Reuseability). It contains experimental research work for the open-source software released by The OpenFOAM Foundation. The developments are dedicated to the numerical simulation of multiphase flows, in particular to the multi-field two-fluid model (Euler-Euler method).
Acknowledgement: OpenFOAM(R) is a registered trade mark of OpenCFD Limited, producer and distributor of the OpenFOAM(R) software via www.openfoam.com. The Multiphase Code Repository by HZDR for OpenFOAM Foundation Software is not compatible with the software released by OpenCFD Limited, but is based on the software released by the OpenFOAM Foundation via www.openfoam.org
Highlights of the Multiphase Code Repository by HZDR
HZDR Baseline Model: addonMultiphaseEuler solver with full support of the HZDR baseline model set for polydisperse bubbly flows, including configuration files and tutorials for simplified setup of Baseline cases (Hänsch et al., 2021).
Population Balance Modelling: A GPU-accelerated population balance method according to Petelin et al. (2021).
Morphology-adaptive Multifield Two-fluid Model (MultiMorph): cipsaMultiphaseEuler solver featuring a morphology-adaptive modelling approach (dispersed and resolved interfaces, Meller et al., 2021) with an interface to the multiphaseEuler framework to utilise all available interfacial models, and configuration files and tutorials for easy setup of cases with the MultiMorph Model.
more ...This work was supported by the Helmholtz European Partnering Program in the project "Crossing borders and scales (Crossing)"
Scripts and models for "Machine learning the electronic structure of matter across temperatures"
No full text# Data and Scripts for "Machine learning the electronic structure of matter across temperatures"
This dataset contains data and calculation scripts for the publication "Machine learning the electronic structure of matter across temperatures".
Its goal is to enable interested parties to reproduce the experiments we have carried out.
## Prerequesites
The following software versions are needed for the python scripts:
- `python`: 3.8.x
- `mala`: 1.2.0
- `numpy`: 1.23.0 (lower version may work)
Further, make sure you have downloaded additional data such as local pseudopotentials and training data.
## Contents
- `data_analysis/`: Contains scripts contain useful functions to reproduce the analysis carried out on the provided
data.
- `model_training/`: Contains scripts that allow the training and testing of the models discussed in the accompanying
publication.
- `trained_models`: Contains the models discussed in the accompanying publication. Per data set, five models with
different random initializations were trained
Experimental prompt gamma-ray timing data for proton treatment verification in a clinical facility using a fixed beam
No full textThis dataset comprises the data reported on by Werner et al. (2019) in Phys. Med. Biol. 64 105023, 20pp (https://doi.org/10.1088/1361-6560/ab176d). Please refer to this publication for details on the experimental setup, data acquisition and preprocessing. The process is summarised in the following.
A static, pulsed pencil beam was delivered to a target without and with cylindrical air cavities of 5 to 20 mm thickness and prompt gamma-ray timing distributions were acquired.
Experimental setup:
A homogeneous cylindrical phantom comprised of poly(methylmethacrylate) was used. Air cavities of varying thickness ∆R ∈ {0 mm, 5 mm, 10 mm, 20 mm} were successively introduced into the phantom to mimic anatomical variations leading to range deviations. For each air cavity thickness, the phantom was irradiated with proton pencil beams of two different kinetic energies (E_1 = 162 MeV and E_2 = 227 MeV) and a micropulse repetition rate of 106.3 MHz. Prompt-gamma ray timing distributions were measured with a detection unit consisting of a single ∅2 ” × 2 ” CeBr_3 crystal by Scionix, a Hamamatsu R13089-100 photomultiplier and a U100 digital spectrometer by Target Systemelektronik, which was placed at a backward angle of 130° . A static pencil beam was directed centrally at the phantom. The beam was pulsed in spots with a spot duration of 69 ms, a period of 72 ms and 1e9 (!) protons per spot (corresponding approximately to the combined signal of 8 prompt-gamma ray detection units for one strongly weighted clinical pencil beam scanning spot). One measurement consisted of 100 spots. Overall, the experiment comprised eight measurements covering the set of four cavity thicknesses ∆R and two beam energies E_1 and E_2. Experiments were carried out in the patient treatment room of OncoRay, Dresden.
Data preprocessing:
The raw data of each measurement was preprocessed as follows: The binary data was converted to ROOT. The photomultiplier gain drift was corrected for and the integral signal charge was converted into deposited energy. Time digitalisation nonlinearities were corrected for. The calibrated data was then saved in list-mode format. The data was assigned to the spot number and the detection time relative to the accelerator radiofrequency (fine time) was used to populate a prompt gamma-ray timing histogram for each spot. No background or phase shift correction were applied.
Data structure:
The dataset contains one root file for each measurement, named by the detector number in the format u100-p00XX and the measurement time. The spreadsheet MeasurementIndex_20160716_SingleSpot.xlsx contains the details of each measurement. The corrected and calibrated PGT spectra can be found in the root file at analysis/05_PGT_for_Layers_and_Spots.
Each root file contains the following directories:
analysis
01_Layers_and_Spots_Detection: association between spot number and measurement time
02_Gain_Correction: energy gain drift correction curve
03_Energy_Calibration: energy calibration curve
04_Fine_Time_Linearization: timing non-linearity calibration curve
05_PGT_for_Layers_and_Spots: final PGT spectra - for each spot of each layer:
PGT_*_all: timing spectrum of the whole energy range
PGT_*_2,5to7MeV: timing spectrum for events between 2.5 and 7 MeV only
PGT_*_3to5MeV: timing spectrum for events between 3 and 5 MeV only
ESpec: energy spectrum
EoT: two-dimensional energy-timing spectrum
data: list-mode data (not histogrammed)
uncorrected: before the correction and calibration steps
corrected: after the correction and calibration steps
meta: measurement meta data (log file containing applied detector HV etc.)
histograms: selected example histograms
For further questions, please refer to the contact persons stated in the Contributors section
Multiphase Cases Repository by HZDR for OpenFOAM Foundation Software
No full textThis repository contains simulation setups for the Multiphase Code Repository by HZDR for OpenFOAM Foundation Software. The simulation setups are separated into mono- and polydisperse bubbly flows utilising the Baseline model by HZDR set, setups for a morphology-adaptive multifield two-fluid model (disperse and resolved interfaces) and miscellaneous cases.Acknowledgement: OpenFOAM(R) is a registered trade mark of OpenCFD Limited, producer and distributor of the OpenFOAM(R) software via www.openfoam.com. The Multiphase Cases Repository by HZDR for OpenFOAM Foundation Software is not compatible with the software released by OpenCFD Limited, but is based on the software released by the OpenFOAM Foundation via www.openfoam.orgThis work was supported by the Helmholtz European Partnering Program in the project "Crossing borders and scales (Crossing)"
Raw data related to publication "Influence of engineered roughness microstructures on adhesion and turbulent resuspension of microparticles" by Banari et al. (2023)
No full text#Folder "Adhesion": Contains all raw data related to the adhesion force measurement. To plot the figure, run python3. plot.py
#Folder "SEM": each subfolder S1, S2 and S3 contains further high-resolution pictures taken with the SEM
#Folder "WindChannel": Contains all raw data related to the resuspensiob experiment performed in the winf channel. More Info in Windchannel/Readme.tx