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Data publication: Desferrioxamine B (DFOB) Assisted Nanofiltration System for the Recycling of Gallium from Low Concentrated Wastewater
No full textGallium is classified as a technology metal as it is important for technological innovations. It is also referred to as a strategic metal, which emphasizes its economic relevance. In addition, gallium is a critical raw material that is strategically important but only available in limited quantities. However, recycling dissolved gallium from low-concentration wastewater is often not done due to the lack of suitable technologies. This research presents a membrane-based approach using the siderophore Desferrioxamine B for the recycling of gallium. Nanofiltration membranes were used to separate gallium from other metal impurities (such as arsenic). The membranes recovered about 70 % of gallium from low-concentrated synthetic wastewater. Afterward, the membranes were tested using industrial wastewater, and a similar recovery rate was observed. A model was developed to predict operation parameters that would lead to the highest recovery rate of gallium with the minimum impurities. The model showed that recycling more than 90 % of gallium from wastewater is possible using this approach. Therefore, the siderophore-assisted nanofiltration approach demonstrated in this research showed great potential for the sustainable recycling of gallium from industrial wastewater
Data publication: Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation
No full textThis dataset includes the primary research data for the publication "Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation"
Data publication: Defect Microstructure Evolution in Immiscible Composite Cu43%Cr Alloy after High-Pressure Torsion and Annealing using Positron Annihilation Spectroscopy
No full textThis data set contains positron annihilation lifetime spectra and VEPAS-DB spectra. It contains raw data and the corresponding analyzed data
Data and code: Investigating binary granular mixing in a rotating drum using ultrafast X-ray computed tomography
No full textOriginal video camera data, and time-averaged, beam-hardening-corrected, drift-corrected dynamic and static UFXCT image data used in the associated publication; code used for the final processing; and the final processed data. More details are found in the publication and in the info in the respective folders
Self-folding of two-dimensional thin templates into pyramidal micro-structures by a liquid drop - a numerical model
No full textSource files and selected raw data related to the manuscript "Self-folding of two-dimensional thin templates into pyramidal micro-structures by a liquid drop - a numerical model" by Gregory Lecrivain, Helmholtz-Zentrum Dresden-Rossendorf, Germany, 2024.
1) folder "manuscript",
This folder contains all text documents related to manuscript. Text and final figures are found in the directory.
2) folder "scripts"
This folder contains python and bash scripts used to post process the raw data and prepare the figures.You will need to install some python3 libraries. Use the following command
pip install pyquaternion matplotlib scipy intersect
3) folder "figures"
This folder contain information on how to run the simulations related to the figure.
More information in README file in each figure/figureX subfloder with X the figure number in the manuscript.
4) folder "src"
This folder contains the all c++ files related to the source code.
4.1)
Prior to compiling, you should have gcc(7.3.0), openmpi(2.1.2), make(4.3), cmake(3.20.2), python(3.8.0), blas(3.8.0), lapack(3.8.0), boost(1.78.0), and git(2.30.1) available on your machine. The version number in the parenthesis corresponds to the one I used on the local HPC available at my institution. In my case, I type "module load gcc/7.3.0 openmpi/2.1.2 make/4.3 cmake/3.20.2 python/3.8.0 blas/3.8.0 lapack/3.8.0 boost/1.78.0 git/2.30.1".
4.2)
To compile the libraries, open a terminal, cd to the src directory and type "make libs". All outputs will placed in the folder HOME/Paraview/ParaView-5.9.1-MPI-Linux-Python3.8-64bit/. pvpython is used to export txt data (hinge, drop and three-phase contact line) to vtk format.
4.4)
Open your ~/.bashrc file and add the following lines.
export IGL_NUM_THREADS=1
export LD_LIBRARY_PATH=HOME/local/libconfig-1.7.3/lib
export LD_LIBRARY_PATH=HOME/local/gmp-6.2.1/lib
export LD_LIBRARY_PATH=HOME/local/mpfr-4.1.0/lib
export PATH=HOME/Documents/microorigami/src #(or whereever, your chosen parent directory is)
export PATH=HOME/Documents/microorigami/scripts #(or whereever, your chosen parent directory is)
export PATH=HOME/Documents/microorigami/paraview/bin #(or whatever path you used)
4.5)
open a new terminal, cd to the src directory and type "make check_library_path". The terminal should return
"library path to libconfig is correct"
"library path to gmp is correct"
"library path to mpfr is correct"
If that is the case, i.e. the paths are correctly set. To compile, type "make main post". Alternatively, one can speed up the installation by typing "make -j 4 main post", where 4 is the number of cpus I use.
4.6)
Help is available in each header file (.h) in the form of doxygen comments. Type "make doxy". The folder html will appear under src.
4.7)
Type "make clean" to clean the src folder
5) folders "caX_sideY_ecZ.zip"
The zip files contains, where where X = 70 is the contact angle, Y = 5 the number of side panels and Z = 0.8, 1.6 and 2.4 the elasto-capillary number, are selected raw data related to Figure 10. All other raw data can be reproduced by following the commands in the README text file located in each figX folder, with X=1,2,...,13. After extraction, three folders will be created, namely wd/ca70/side5/ec0.8, wd/ca70/side5/ec1.6 and wd/ca70/side5/ec2.4, where wd is your working directory. To convert the data into human-readable format (txt, vtk, stl,...) type "source Utils.sh; ExportScript --verbose --submit" in the working directory wd on the hpc. The bash function ExportScript is located in "scripts/Utils.sh"
Data publication: Structure, covalency, and paramagnetism of homoleptic actinide and lanthanide amidinate complex
No full textStructural and QC data for all compounds described in the manuscript "Structure, covalency, and paramagnetism of homoleptic actinide and lanthanide amidinate complex
Data publication: Revisiting Metal−Organic Frameworks Porosimetry by Positron Annihilation: Metal Ion States and Positronium Parameters
No full textThis dataset includes the positron data
Self-folding of two-dimensional thin templates into pyramidal micro-structures by a liquid drop - a numerical model
No full textSource files and selected raw data related to the manuscript "Self-folding of two-dimensional thin templates into pyramidal micro-structures by a liquid drop - a numerical model" by Gregory Lecrivain, Helmholtz-Zentrum Dresden-Rossendorf, Germany, 2024.
1) folder "manuscript",
This folder contains all text documents related to manuscript. Text and final figures are found in the directory.
2) folder "scripts"
This folder contains python and bash scripts used to post-process the raw data and prepare the figures. You will need to install some python3 libraries. Use the following command: pip install pyquaternion matplotlib scipy intersect.
3) folder "figures"
This folder contain information on how to run the simulations related to the figure. More information can be found in the README text file located in each figure/figX subfolder, where X the figure number in the manuscript.
4) folder "src"
This folder contains the all c++ files related to the source code.
4.1)
Prior to compiling, you should have gcc(7.3.0), openmpi(2.1.2), make(4.3), cmake(3.20.2), python(3.8.0), blas(3.8.0), lapack(3.8.0), boost(1.78.0), and git(2.30.1) available on your machine. The version number in the parenthesis corresponds to the one I used on the local HPC available at my institution. In my case, I type "module load gcc/7.3.0 openmpi/2.1.2 make/4.3 cmake/3.20.2 python/3.8.0 blas/3.8.0 lapack/3.8.0 boost/1.78.0 git/2.30.1".
4.2)
To compile the libraries, open a terminal, cd to the src directory and type "make libs". All outputs will placed in the folder LD_LIBRARY_PATH:LD_LIBRARY_PATH:LD_LIBRARY_PATH:PATH:HOME/microorigami/src #(or whereever, your chosen parent directory is)
export PATH=PATH:HOME/microorigami/scripts #(or whereever, your chosen parent directory is)
export PATH=PATH:$HOME/microorigami/paraview/bin #(or whatever path you used)
4.5)
open a new terminal, cd to the src directory and type "make check_library_path". The terminal should return
"library path to libconfig is correct"
"library path to gmp is correct"
"library path to mpfr is correct"
If that is the case, i.e. the paths are correctly set. To compile, type "make main post". Alternatively, one can speed up the installation by typing "make -j 4 main post", where 4 is the number of cpus I use.
4.6)
Help is available in each header file (.h) in the form of doxygen comments. Type "make doxy". The folder html will appear under src.
4.7)
Type "make clean" to clean the src folder
5) folders "caX_sideY_ecZ.zip"
The zip files contains the raw data related to Figure 10. Here, X = 70 is the contact angle, Y = 5 the number of side panels and Z = 0.8, 1.6 and 2.4 the elasto-capillary number. After data extraction, three folders will be created, namely wd/ca70/side5/ec0.8, wd/ca70/side5/ec1.6 and wd/ca70/side5/ec2.4, where wd is your working directory. To convert the data into human-readable format (txt, vtk, stl,...) type "source Utils.sh; ExportScript --verbose --submit" in the working directory wd on the hpc. The bash function ExportScript is located in "scripts/Utils.sh". All other raw data can be obtained by following the commands in the README text file located in each figX folder, with X=1,2,...,13. With Paraview, one is able to visualize the self-folding by loading the stl files
Data publication: Defectivity of Al:ZnO Thin Films with Different Crystalline Order Probed by Positron Annihilation Spectroscopy
No full textPositronen-Lebensdauer-Messungen gewonnen an der Positronen-Strahlanlage MePS (pELBE), August 2023 Doppler-Verbreiterungs-Messungen gewonnen an der Positronen-Strahlanlage SPONSOR (pELBE), September 202
Data publication: Multiferroic Microstructure Created from Invariant Line Constraint
No full textThis dataset contains all raw data used for the publication of the paper "Multiferroic Microstructure Created from Invariant Line Constraint" including SEM, TEM, MFM, VSM, RXD data