Helmholtz Institute Freiberg for Resource Technology
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ComputableDAGs.jl
No full textRepresent computations as Directed Acyclic Graphs (DAGs), analyze and optimize them, then compile to native code and run
Training Data and Models for the paper: Data-efficient U-Net for Segmentation of Carbide Microstructures in SEM Images of Steel Alloys
No full textThis dataset contains scanning electron microscopy (SEM) images of steel alloys, including paired secondary electron (SE2) and in-lens (InLens) channels, with corresponding binary segmentation labels. The data supports full reproduction of results presented in the referenced manuscript.
Dataset Description
Content: 13 pairs of SEM images of two reactor pressure vessel (RPV) steels:
JFL: IAEA reference RPV base metal steel
ANP-10: Western type RPV steel
Acquisition:
JFL: Zeiss NVision 40 microscope
ANP-10: Zeiss Ultra 55 microscope
Both SE and InLens detectors used simultaneously.
Resolution: 2048 × 1404 pixels per image
2048 px width corresponds to 14.3 µm (JFL) or 11.5 µm (ANP-10).
Using the dataset to reproduce the results of the manuscript
Download the zip file into the data/ subdirectory of the code repository and extract the archive:
cd data/
unzip data.zip
Dataset Structure
These directories contain the relevant data for the manuscript:
cloud/
├-─ preprocessed/
│ ├── hold-out/
│ ├── images/
│ └── labels/
├── processed_tiles/
│ ├── images/
│ └── labels/
├── tb_logs/
│ ├── unet_model/
Preprocessed
pre-processed whole images and corresponding labels
Processed Tiles
tiled images and labels
tb_logs
trained model weight
Data Publication: Exfoliation and Cleavage of Crystals from a Universal Potential
No full textPrimary Research Data for "Exfoliation and Cleavage of Crystals from a Universal Potential"
Tom Barnowsky & Rico Friedrich
TU Dresden & Helmholtz-Zentrum Dresden-Rossendorf, Germany
This dataset contains the primary data supporting the publication "Exfoliation and Cleavage of Crystals from a Universal Potential". Each directory corresponds to a bulk entry from the AFLOW database for which a slab prediction was generated. The directory name follows the AFLOWLIB uniform resource locator (with the prefix `aflowlib.duke.edu:` omitted). Bulk data can be retrieved from aflowlib.duke.edu through the AFLOW REST API using this identifier [1].
Within each bulk directory, subdirectories are provided for every predicted slab. Their names follow the pattern:
ID="{MILLER_INDEX}_facet_{BULK_CHEMICAL_FORMULA}_ICSD_{BULK_ICSD_NUMBER}_slab_{SLAB_CHEMICAL_FORMULA}_uff_{ID}` directory contains:
`POSCAR.vasp.xz`: structure file of the unrelaxed predicted 2D slab.
If an exfoliation-energy calculation was performed, the full AFLOW/VASP calculation data is included [3-8].
A static "as-sliced" DFT calculation is located in a separate `{ID}/BANDS_DOS`
`{H} {L} ), start={THICKNESS}, energy={IN_OUT_RATIO}"
where
`START`: Starting point of the cut-out layer along the (hkl) normal in units of Angstrom.
`THICKNESS`: Thickness of the extracted slab along the (hkl) normal in units of Angstrom.
`SURFACE_ENERGY`: The XCP model surface energy (divided by 2).
`IN_OUT_RATIO`: The in-plane/out-of-plane ratio.
BONDDEL Slabs
For slabs created using the BONDDEL algorithm, the header is:
HEADER="Slab(bonddel, {K} {RATIO}"
where
`RATIO`: 2D/3D cut bond energy ratio.
Additional Files
This dataset also includes the potential data file used with the FINDSLAB code [9], supplied as `POTDATA_morse_yukawa_2025.xz`.
License
This dataset is published under the Creative Commons Attribution 4.0 (CC BY) license. We kindly ask works based on this data to cite this dataset entry and/or the associated publication
Data publication: Measurement of liquid foam flow through a diverging nozzle
No full textThe hydrodynamic theory of pneumatic foam analytically predicts the advective transport of liquid by foam rising continuously in a vertical column or pipe, relying on cross-sectional averaging of the foam velocity and liquid fraction. This experimental study accumulates a database for assessing the pneumatic foam theory in a vertically aligned diverging nozzle, i.e. at increasing cross-sectional area in nominal flow direction. The velocity distribution of the flowing foam and its liquid fraction distribution were measured by means of X-ray, optical and electrical techniques in three different nozzles distinguished by their half angle θ = 5°, 10°, 20°. The experimental setup and the measurements are described in detail in Skrypnik et al. (https://www.hzdr.de/publications/Publ-41024).
X-ray radiography (XR) has measured the distribution of the liquid fraction (εXR) inside the nozzle as a two-dimensional projection, i.e. integrated in the X-ray beam direction.
X-ray particle tracking (XPTV) has measured the local velocity uT inside the nozzle, along the motion path of each tracer particle described by the radial (r) and vertical position (z) in consecutive frames. The velocity uT was normalised by the superficial gas velocity jg(z) = Qg / (π * R(z)2), with Qg denoting the gas flow rate of compressed air applied for foam generation, and R(z) denoting the radius of the cross-sectional area depending on the vertical position z. To compare different nozzles, the vertical position z was normalised by the total length L = 25 mm / tan(θ) of the nozzle depending on its half angle θ = 5°, 10°, 20°.
Optical PIV adapted to foam (FoamPIV) has measured the time-averaged velocity uW through the transparent wall of the nozzle, i.e. at the nozzle radius r = R(z) depending on the vertical position z. As described above, the velocity uW was normalised by the superficial gas velocity jg(z), and the vertical position z was normalised by the total length L of the nozzle.
Electrode pairs (EP) have measured the cross-sectional average values of the liquid fraction (εEP) upstream and downstream the nozzle, simultaneously to the X-ray radiographic measurement of the liquid fraction distribution (εXR) inside the nozzle.
The experimental data in this repository is structured into different folders and files as follows.
FoamNozzle_Overview.CSV gives an overview of all measurements runs, nozzles, and techniques.
Level 1 are folders classified by the measurement technique: 01_XR: X-ray radiography, 02_XPTV: X-ray particles tracking velocimetry, 03_FoamPIV: Optical PIV adapted to foam, 04_EP: Electrode pairs.
Level 2 are folders classified by the different nozzles, distinguished by the nozzle half angle θ = 5°, 10°, 20°, and divided into bottom and top part in the case of θ = 5°, 10°.
Level 3 are TIF and CSV files of measurement results.
01_XR: Each TIF image shows the time-averaged distribution of the liquid fraction inside the nozzle; the liquid fraction (0 < εXR < 1) is indicated by the value of each pixel.
02_XPTV: Each CSV file consists of three columns, namely the radial position (r, in mm), the normalised vertical position (z / L), and the normalised velocity (uT / jg(z)).
03_FoamPIV: Each CSV file consists of two columns, namely the normalised vertical position (z / L), and the normalised velocity (uW / jg(z)).
04_EP: Each CSV file consists of three columns, namely the cross-sectional average of the liquid fraction (0 < εEP < 1) downstream as well as upstream the nozzle, and the time (in s).The authors gratefully acknowledge the financial support provided by the German Research Foundation (DFG, under grant number HE 7529/3-1, project numbers 431077191 and 551239760), by the German Federal Ministry of Education and Research (BMBF, under grant number 03HY123E), and by the Summer Student Program at the Helmholtz-Zentrum Dresden-Rossendorf
Data publication: OECD/NEA AI/ML Benchmark on Critical Heat Flux—HZDR Results
No full textResults obtained in the framework of OECD/NEA Benchmark on Artificial Intelligence and Machine Learning for Scientific Computing in Nuclear Engineering—Phase 1: Critical Heat Flu
Data publication: Citric and malic acids influence uranium(VI) uptake into Brassica napus in hydroponic culture by affecting solubility and speciation
No full textThe stored data sets represent the analytical, spectroscopic, and microscopic data that were used for the publication about the influence of citric and malic acids on the uranium(VI) uptake into Brassica napus plants in hydroponic culture by affecting solubility and speciation of uranium(VI)
A contribution to the multidimensional characterisation and separation of ultrafine particles (Dissertation data)
No full textThe repository contains data of the dissertation:
Title: A contribution to the multidimensional characterisation and separation of ultrafine particles
Author: M.Sc. Johanna Sygusch
Faculty: Faculty of Mechanical, Process and Energy Engineering of the Technische Universität Bergakademie Freiberg
Year: 2025
It contains Excel sheets with the summarized data, as well as two zip files containing the flow cytometry measurements and the MLA images
Multiphase Python Repository by HZDR
No full textThe python package provides several routines and scripts required to operate the code and cases repositories containing additional code and set-ups for the open-source software released by the OpenFOAM Foundation. This includes among others utilities for pre- and post-processing of simulation cases, utilities to launch virtual environments containing the source code, and utilities to operate the continuous integration and continuous development environment in a self-hosted Gitlab instance
Data publication: Impact of fluid flow on the thermal boundary layer dynamics in turbulent liquid metal Rayleigh-Bénard Convection
No full textPrimary data for the publication figures 5 to 11. Data is saved as csv with tab as a separator ("tsv"). Contains all published data for this publication
Exploring Morphology of Thermoplasmonic Nanoparticles to Synergize Immunotherapeutic FAP-positive Cells Sensitization and Photothermal Therapy
No full textThe precision of photothermal therapy (PTT) is often hindered by the challenge of achieving selective delivery of thermoplasmonic nanostructures to tumors. Key enabler for the specific delivery is so-called active targeting, leveraging synthetic molecular complexes to address receptors overexpressed by malignant cells. The latter one enables combination of the PTT with other anticancer therapy. In this study, we developed thermoplasmonic nanoconjugates designed to selectively sensitize malignant cells to PTT. These nanoconjugates consist of (i) 20 nm spherical gold nanoparticles (AuNPs) or gold nanostars (AuNSs) as nanocarriers, and facilitate heat-generation upon optical irradiation, and (ii) surface-passivated antibody-based FAP targeting modules (anti-FAP TMs), used in adaptive CAR T-cells immunotherapy. The nanoconjugates demonstrated excellent stability and specific binding to FAP-expressing fibrosarcoma HT1080 (hFAP) cells, as confirmed by immunofluorescence and label-free surface plasmon resonance scattering imaging. Moreover, the nanocarriers showed significant photothermal conversion after visible and near-infrared (NIR) irradiation. Quantitative thermal lens spectroscopy (TLS) demonstrated the superior photothermal capability of AuNSs, achieving up to 1.5-fold greater thermal enhancement than AuNPs under identical conditions. This synergistic approach, combining targeted immunotherapy with the thermoplasmonic properties of the nanocarriers not only streamline nanoparticle delivery, increasing photothermal yield and therapeutic efficacy, but also offers a more comprehensive and potent strategy for cancer treatment with the potential for superior outcomes across multiple modalities