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          <dc:contributor>Barthel, Frank</dc:contributor>
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          <dc:description>Simulationsdaten für die Masterarbeit Analysen zur Anwendbarkeit verschiedener Strahlbahn-Monitoring-Konzepte für die ultraschnelle Röntgencomputertomografie

 

Untersuchung des Einflusses verschiedener USRBDX-Strukturen auf den Elektronenfluss.</dc:description>
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        <setSpec>openaire_data</setSpec>
        <setSpec>openaire_data</setSpec>
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        <setSpec>openaire_data</setSpec>
        <setSpec>openaire_data</setSpec>
        <setSpec>openaire_data</setSpec>
        <setSpec>openaire_data</setSpec>
        <setSpec>openaire_data</setSpec>
        <setSpec>openaire_data</setSpec>
        <setSpec>openaire_data</setSpec>
        <setSpec>openaire_data</setSpec>
        <setSpec>openaire_data</setSpec>
        <setSpec>openaire_data</setSpec>
        <setSpec>openaire_data</setSpec>
        <setSpec>openaire_data</setSpec>
        <setSpec>openaire_data</setSpec>
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      </header>
      <metadata>
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          <dc:creator>Wicaksono, Damar Canggih</dc:creator>
          <dc:creator>Hernandez Acosta, Uwe</dc:creator>
          <dc:creator>Thekke Veettil, Sachin Krishnan</dc:creator>
          <dc:creator>Kissinger, Jannik</dc:creator>
          <dc:creator>Hecht, Michael</dc:creator>
          <dc:date>2025-04-24</dc:date>
          <dc:description>This release includes the dataset used to generate the convergence plot featured in the paper "Minterpy: Multivariate Polynomial Interpolation in Python," submitted to the Journal of Open Source Software (JOSS). It also provides instructions for reproducing both the data from scratch and the plot derived from that data.

This is the second release of the dataset, prepared following feedback from the JOSS review process.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/3717</dc:identifier>
          <dc:identifier>10.14278/rodare.3717</dc:identifier>
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          <dc:relation>url:https://github.com/minterpy-project/minterpy-joss-data/releases/tag/v2.0.0</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-36106</dc:relation>
          <dc:relation>doi:10.21105/joss.07702</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-40457</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-40367</dc:relation>
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          <dc:relation>doi:10.14278/rodare.3378</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/casus</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/hzdr</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://opensource.org/licenses/MIT</dc:rights>
          <dc:title>Data to "Minterpy: Multivariate polynomial interpolation in Python"</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
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    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:3196</identifier>
        <datestamp>2024-11-11T08:29:57Z</datestamp>
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          <dc:creator>Berthold, Jonathan</dc:creator>
          <dc:creator>Hueso-González, Fernando</dc:creator>
          <dc:creator>Wohlfahrt, Patrick</dc:creator>
          <dc:creator>Bortfeld, Thomas</dc:creator>
          <dc:creator>Khamfongkhruea, Chirasak</dc:creator>
          <dc:creator>Tattenberg, Sebastian</dc:creator>
          <dc:creator>Zarifi, Melek</dc:creator>
          <dc:creator>Verburg, Joost</dc:creator>
          <dc:creator>Richter, Christian</dc:creator>
          <dc:date>2024-10-15</dc:date>
          <dc:description>This publication contains all datasets of the anthropomorphic head phantom and corresponding treatment plans that are needed to conduct the presented benchmark experiments (related publication) with proton range verification systems. For comparison, the repository also contains the evaluated results of the prompt-gamma-spectroscopy (PGS) and prompt-gamma-imaging (PGI) systems.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/3196</dc:identifier>
          <dc:identifier>10.14278/rodare.3196</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:3196</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-39755</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-39032</dc:relation>
          <dc:relation>doi:10.14278/rodare.3195</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/oncoray</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/restrictedAccess</dc:rights>
          <dc:subject>proton therapy</dc:subject>
          <dc:subject>prompt gamma-ray</dc:subject>
          <dc:subject>range verification</dc:subject>
          <dc:subject>treatment verification</dc:subject>
          <dc:title>Data publication: Inter-center comparison of proton range verification prototypes with an anthropomorphic head phantom</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
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          <dc:creator>Kachroo, Himanshu</dc:creator>
          <dc:creator>Doddapaneni, Tharaka Rama Krishna C.</dc:creator>
          <dc:creator>Verma, Vishal Kumar</dc:creator>
          <dc:creator>Kaushal, Priyanka</dc:creator>
          <dc:creator>Jain, Rohan</dc:creator>
          <dc:date>2025-06-05</dc:date>
          <dc:description>Experimental data and figures are all present in the manuscript</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/3789</dc:identifier>
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          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Lignocellulosic biomass</dc:subject>
          <dc:subject>Torrefaction condensate</dc:subject>
          <dc:subject>Optimization</dc:subject>
          <dc:subject>Artificial neural network</dc:subject>
          <dc:subject>Biomethane</dc:subject>
          <dc:subject>Cost assessment</dc:subject>
          <dc:title>Data publication: Integrated Biofuel Production from Rice Husk and Rice Straw via Torrefaction and Anaerobic Digestion: Optimization and Economic Viability</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
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        <identifier>oai:rodare.hzdr.de:1426</identifier>
        <datestamp>2022-03-25T09:51:44Z</datestamp>
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          <dc:creator>Ghosh,Subrata</dc:creator>
          <dc:creator>Senapati, Abhishek</dc:creator>
          <dc:creator>Chattopadhyay, Joydev</dc:creator>
          <dc:creator>Hens, Chittaranjan</dc:creator>
          <dc:creator>Ghosh, Dibakar</dc:creator>
          <dc:date>2022-01-28</dc:date>
          <dc:description>This contains all the python script and related data required for reproducing the results presented in the article</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/1426</dc:identifier>
          <dc:identifier>10.14278/rodare.1426</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:1426</dc:identifier>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-34173</dc:relation>
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          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Infectious disease modelling</dc:subject>
          <dc:subject>Test-kit</dc:subject>
          <dc:subject>Complex network</dc:subject>
          <dc:subject>Intervention strategy</dc:subject>
          <dc:title>Data publication: Optimal test-kit-based intervention strategy of epidemic spreading in heterogeneous complex networks</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
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      <header>
        <identifier>oai:rodare.hzdr.de:644</identifier>
        <datestamp>2024-08-13T12:25:26Z</datestamp>
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        <setSpec>user-robl</setSpec>
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          <dc:creator>Kaden, Peter</dc:creator>
          <dc:creator>Roßberg, André</dc:creator>
          <dc:date>2020-12-11</dc:date>
          <dc:description>This dataset is a subset of the complete data used in the original publication. It contains NMR and XAS data and there simulation. Based on this original data, conclusions are drawn in the linked publication. For the full data, please refer to the corresponding author of the full publication.</dc:description>
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          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
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          <dc:title>Coordination of Trivalent Lanthanum and Cerium, and Tetravalent Cerium and Actinides (An = Th(IV), U(IV), Np(IV)) by a 4-Phosphoryl 1H-Pyrazol-5-olate Ligand in Solution and the Solid State</dc:title>
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        <identifier>oai:rodare.hzdr.de:2297</identifier>
        <datestamp>2023-05-22T07:25:02Z</datestamp>
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          <dc:creator>Pfeufer, Rike Alena</dc:creator>
          <dc:date>2023-05-09</dc:date>
          <dc:description>Data sets of surface pressure isotherms for punicine derivatives (octyl-, nonyl-, decyl-, undecyl- and heptadecyl-punicine) and oleic acid/sodium oleate.

Measurements were carried out at the Langmuir-Blodgett Minitrough of KSV Instruments Ltd. For each measurement the surfactant was solubilized in 1:1 EtOH and chloroform. This solution was placed on top of water (conductivity &lt; 0.8 µS) and after an evaporation time of 10 min measurements were started.</dc:description>
          <dc:description>data files are named as follows:
LB_type of surfactant
tabs in data files are named as follows:
type of surfactant_  pH of measurement_date of measurement_number of measurement

surfactants:
OA	Oleic acid
NaOL	Sodium oleate
OP	Octyl punicine
NP 	Nonyl punicine
DP	Decyl punicine
UDP	Undecyl punicine
HDP	Heptadecyl punicine</dc:description>
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          <dc:language>eng</dc:language>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-36944</dc:relation>
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          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Langmuir-Blodgett trough</dc:subject>
          <dc:subject>punicine</dc:subject>
          <dc:subject>surface pressure isotherm</dc:subject>
          <dc:title>surface pressure isotherms for punicine derivatives and oleic acid/sodium oleate</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
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        <identifier>oai:rodare.hzdr.de:1626</identifier>
        <datestamp>2024-08-12T08:32:21Z</datestamp>
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        <setSpec>user-superconducting-electron-linear-accelerator-elbe</setSpec>
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          <dc:creator>Schaber, Jana</dc:creator>
          <dc:creator>Xiang, Rong</dc:creator>
          <dc:creator>Teichert, Jochen</dc:creator>
          <dc:creator>Arnold, André</dc:creator>
          <dc:creator>Murcek, P.</dc:creator>
          <dc:creator>Zwartek, P.</dc:creator>
          <dc:creator>Ryzhov, Anton</dc:creator>
          <dc:creator>Ma, S.</dc:creator>
          <dc:creator>Gatzmaga, S.</dc:creator>
          <dc:creator>Michel, Peter</dc:creator>
          <dc:creator>Gaponik, N.</dc:creator>
          <dc:date>2022-05-17</dc:date>
          <dc:description>Origin-files zur Darstellung von thermischen Reinigung, Aktivierung und Quanteneffizienz-Überwachung von GaN Fotokathoden SEM Bilder als .tif Dateien EDX Spektren als Exel-files zur Darstellung von EDX Analysen AFM Orginal Bilder die mit dem Programm Gwiddion geöffnet werden können</dc:description>
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          <dc:relation>doi:10.17815/jlsrf-2-58</dc:relation>
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          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>p-GaN</dc:subject>
          <dc:subject>UV-photocathode</dc:subject>
          <dc:subject>quantum efficiency</dc:subject>
          <dc:subject>surface cleaning</dc:subject>
          <dc:subject>surface morphology</dc:subject>
          <dc:title>Software publication: Influence of surface cleaning on quantum efficiency, lifetime and surface morphology of p-GaN:Cs photocathodes</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
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      <header>
        <identifier>oai:rodare.hzdr.de:4580</identifier>
        <datestamp>2026-03-31T08:35:30Z</datestamp>
        <setSpec>openaire_data</setSpec>
        <setSpec>user-rodare</setSpec>
      </header>
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        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Chuna, Thomas</dc:creator>
          <dc:creator>Boehme, Maximilian</dc:creator>
          <dc:creator>Dornheim, Tobias</dc:creator>
          <dc:date>2026-03-28</dc:date>
          <dc:description>All results have been computed for the unpolarized UEG, i.e., with an equal number of spin-up and spin-down electrons $N^\uparrow=N^\downarrow=N/2$ for $N=34$. For $r_s = 20$ and at $\Theta=0.75$, there are 1000 independent MCMC seeds, at $\Theta=1, \, 2$ there are $280$ seeds, at $\Theta=4, \,8$ there are $277$ seeds. To compute the data, we conduct leave-one-out binning across the seeds and for all the data, the variance of the mean is $\delta F \approx 10^{-3}-10^{-4}$. This error estimate is computed for each leave-one-out-bin via Hatano's error formula~\cite{hatano1994data} and verified using leave-one-out binning~\cite{berg_book_2004}. This is the online repository with the PIMC results for $F(\mathbf{q},\tau)$ and analytic continuation results for $S(q,\omega)$  seen "Temperature dependence of the dynamic structure factor of the electron liquid via analytic continuation" article. 

The data contained here is (1) leave-one-binned imaginary time correlation functions F(tau) (units dimensionless) over tau (units 1/Hartree) and there error (2) the dynamic structure factors (units 1/Hartree) over omega (units Hartree) obtained using Bryan's MEM with the static approximation as the Bayesian prior (3) the dynamic structure factors (units 1/Hartree) over omega (units Hartree) obtained using  PyLIT with the static approximation as the Bayesian prior (4) The omega-&gt;0 limit of the ideal gas susceptibility chi(q,0)/n/beta (units dimensionless) over q (units 1/Bohr).</dc:description>
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          <dc:identifier>10.14278/rodare.4580</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:4580</dc:identifier>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-43193</dc:relation>
          <dc:relation>doi:10.14278/rodare.4579</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>analytic conitnuation</dc:subject>
          <dc:subject>dynamic structure factor</dc:subject>
          <dc:subject>uniform electron gas</dc:subject>
          <dc:title>Temperature dependence of the dynamic structure factor of the electron liquid via analytic continuation</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
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    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:4691</identifier>
        <datestamp>2026-06-08T10:57:45Z</datestamp>
        <setSpec>openaire_data</setSpec>
        <setSpec>user-rodare</setSpec>
        <setSpec>user-rofex</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Papapetrou, Theodoros Nestor</dc:creator>
          <dc:creator>Bieberle, Martina</dc:creator>
          <dc:creator>Barthel, Frank</dc:creator>
          <dc:creator>Hampel, Uwe</dc:creator>
          <dc:creator>Lecrivain, Gregory</dc:creator>
          <dc:date>2026-06-01</dc:date>
          <dc:description>Original video camera data, UFXCT image data and DEM simulation data used in the associated publication

"Effect of filling degree on particle segregation in a rotating drum - an experimental and numerical study"

by Theodoros Nestor Papapetrou, Martina Bieberle, Frank Barthel, Uwe Hampel and Gregory Lecrivain.  This updated entry is linked to the manuscript resubmission following revision.

PRE_2nd_submission.tar.gz (formerly aggregate_data): Scripts for figure production
camera_code: code used to process camera data
camera_data: image camera data
DEM_code: code used to process output DEM data
DEM_data: LIGGGHTS input data
rotating_VTK_data_X.zip: DEM output data related to scenario X, with X=1,2,3,...,7
UFXCT_code:  code used to process UFXCTdata
UFXCT_data:  UFXCT data</dc:description>
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          <dc:identifier>10.14278/rodare.4691</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:4691</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-39449</dc:relation>
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          <dc:relation>url:https://rodare.hzdr.de/communities/rofex</dc:relation>
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          <dc:title>Data and code: Investigation of the effect of filling degree on particle segregation in a rotating drum using non-invasive measurement techniques and DEM simulations</dc:title>
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          <dc:type>dataset</dc:type>
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        <identifier>oai:rodare.hzdr.de:3226</identifier>
        <datestamp>2024-11-12T10:18:29Z</datestamp>
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          <dc:contributor>Barthel, Frank</dc:contributor>
          <dc:contributor>Sohr, Johanna</dc:contributor>
          <dc:contributor>Sprewitz, Uwe</dc:contributor>
          <dc:contributor>Schubert, Markus</dc:contributor>
          <dc:contributor>Bieberle, André</dc:contributor>
          <dc:creator>Sohr, Johanna</dc:creator>
          <dc:creator>Barthel, Frank</dc:creator>
          <dc:creator>Sprewitz, Uwe</dc:creator>
          <dc:creator>Schubert, Markus</dc:creator>
          <dc:date>2024-11-12</dc:date>
          <dc:description>This repository contains sequences of CT images of the two-phase flow in sandwich packings that are alternately arranged in a packing stack using B1-250 (specific geometric surface area is 250 m² /m³) for de-entrainment layer and B1-1000 (specific geometric surface area is 1000 m² /m³) for holdup layer. As measurement system the ultrafast electron beam X-ray computed tomography scanner was applied in dual plane scanning mode with a dual-imaging frequency of 1000 Hz. Operating parameters, the scanning plane as well as the tags "AB" for de-entrainment layer, "AN" for hold-up layer and "DRIVE" for an axial scan are encoded in the name of the data files.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/3226</dc:identifier>
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          <dc:relation>url:https://www.hzdr.de/publications/Publ-39876</dc:relation>
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          <dc:subject>sandwich packing</dc:subject>
          <dc:subject>two-phase flow</dc:subject>
          <dc:subject>ultrafast electron beam X-ray computed tomography</dc:subject>
          <dc:title>CT image sequences of sandwich packings: B1-250 plus B1-1000 at constant liquid rate of 10 m³/(m²h) and various gas rates</dc:title>
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      <header>
        <identifier>oai:rodare.hzdr.de:2268</identifier>
        <datestamp>2024-10-24T14:58:47Z</datestamp>
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          <dc:creator>Fiedler, Lenz</dc:creator>
          <dc:creator>Cangi, Attila</dc:creator>
          <dc:date>2023-04-20</dc:date>
          <dc:description># Authors:

- Fiedler, Lenz (HZDR / CASUS)
- Cangi, Attila (HZDR / CASUS)

# Affiliations:

HZDR - Helmholtz-Zentrum Dresden-Rossendorf
CASUS - Center for Advanced Systems Understanding

# Dataset description

- System: Be256
- Temperature(s): 3750K, 7500K, 10000K
- Mass density(ies): 1.915 gcc
- Crystal Structure: bcc (material mp-20 in the materials project)
- Number of atomic snapshots: 50
   - 30 (3750K)
   - 10 (7500K)
   - 10 (10000)
- Contents:
   - ideal crystal structure: no
   - MD trajectory: no
   - Atomic positions: no
   - DFT inputs: no
   - DFT outputs (energies): yes
   - SNAP vectors: no
   - LDOS vectors: yes (partially, see below)
        - dimensions: 160x80x80x250
      - note: LDOS parameters are the same for all sizes of the unit cell
   - trained networks: no

# Data generation

Ideal crystal structures were obtained using the Materials Project. (https://materialsproject.org/materials/mp-87/)
DFT-MD calculations were performed using the Vienna Ab initio Simulation Package (https://www.vasp.at/, VASP). DFT calculations were performed using QuantumESPRESSO.
For the VASP calculations, the standard VASP pseudopotentials were used. For Quantum Espresso, pslibrary was used (https://dalcorso.github.io/pslibrary/).
The LDOS was preprocessed using MALA.

# Dataset structure

Each temperature folder contains the following folders:

- ldos: holds the LDOS vectors (LDOS was not calculated for all snapshots!)
- dft_outputs: holds the outputs from the DFT calculations, i.e. energies in the form of a QE output file

Please note that the numbering of the snapshots is contiguous per temperature/mass density/number of atoms, and only data used in publications has been uploaded at this point</dc:description>
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          <dc:title>LDOS/SNAP data for MALA: Beryllium at high temperatures</dc:title>
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        <datestamp>2025-03-21T08:41:11Z</datestamp>
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          <dc:creator>Reinhardt, Nils</dc:creator>
          <dc:creator>Gutzmer, Jens</dc:creator>
          <dc:date>2025-03-20</dc:date>
          <dc:description>Electronic supplementary material related to the dissertation entitled “Mineral systems analysis of magmatic-hydrothermal skarn mineralization in the Schwarzenberg District, Germany” authored by Nils Reinhardt. The data contains the electronic supplementary material for chapters 3, 4, and 5, respectively, as noted in the respective file names.</dc:description>
          <dc:description>European Social Fund, grant no. 100339454 awarded to Mathias Burisch</dc:description>
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          <dc:subject>Schwarzenberg District</dc:subject>
          <dc:subject>magmatic-hydrothermal skarn mineralization</dc:subject>
          <dc:subject>Mineral systems</dc:subject>
          <dc:title>Electronic Supplementary Data of the Doctoral Thesis of Nils Reinhardt entitled "Mineral systems analysis of magmatic-hydrothermal skarn mineralization in the Schwarzenberg District, Germany"</dc:title>
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        <datestamp>2023-11-27T12:24:28Z</datestamp>
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          <dc:creator>Kuglerová, Zuzana</dc:creator>
          <dc:creator>Kumar Singh, Sushil</dc:creator>
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          <dc:creator>Köhler, Alexander</dc:creator>
          <dc:creator>Harmand, Marion</dc:creator>
          <dc:creator>Toleikis, Sven</dc:creator>
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          <dc:creator>Juha, Libor</dc:creator>
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          <dc:title>Data publication: Ion emission from warm dense matter produced by irradiation with a soft x-ray free-electron laser</dc:title>
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          <dc:subject>Magnetoresistance</dc:subject>
          <dc:subject>Magnetic hysteresis</dc:subject>
          <dc:subject>Vibrating sample magnetometry</dc:subject>
          <dc:subject>Spin valve</dc:subject>
          <dc:subject>Thermomagnetic effects</dc:subject>
          <dc:subject>RKKY interaction</dc:subject>
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          <dc:subject>plant uptake</dc:subject>
          <dc:subject>species analysis</dc:subject>
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          <dc:subject>imaging</dc:subject>
          <dc:title>The Chemical Journey of Europium(III) through Winter Rye (Secale cereale L.) – Understanding through Mass Spectrometry and Chemical Microscopy</dc:title>
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          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Rayleigh-Benard Convection</dc:subject>
          <dc:subject>liquid metal</dc:subject>
          <dc:subject>low Pr</dc:subject>
          <dc:subject>cylinder</dc:subject>
          <dc:subject>Aspect Ratio 0.5</dc:subject>
          <dc:subject>Ultrasound Doppler Velocimetry</dc:subject>
          <dc:title>Data publication: Collapse of Coherent Large Scale Flow in Strongly Turbulent Liquid Metal Convection</dc:title>
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          <dc:subject>copper-mediated radiohalogenation (CMRH)</dc:subject>
          <dc:subject>¹⁸F-fluorination</dc:subject>
          <dc:subject>¹²³I-iodination</dc:subject>
          <dc:subject>positron emission tomography (PET)</dc:subject>
          <dc:subject>radiohalogenation</dc:subject>
          <dc:subject>single-photon emission computed tomography (SPECT)</dc:subject>
          <dc:subject>prosthetic group</dc:subject>
          <dc:title>Data publication: PET and SPECT Tracer Development via Copper-Mediated Radiohalogenation of Divergent and Stable Aryl-Boronic Esters</dc:title>
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          <dc:creator>Zwanenburg, Alex</dc:creator>
          <dc:creator>Leger, Karoline</dc:creator>
          <dc:creator>Zöphel, Klaus</dc:creator>
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          <dc:identifier>https://rodare.hzdr.de/record/1967</dc:identifier>
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          <dc:subject>positron emission tomography</dc:subject>
          <dc:subject>cox proportional hazards</dc:subject>
          <dc:subject>longitudinal imaging</dc:subject>
          <dc:title>Data publication: Longitudinal and multimodal radiomics models for head-and-neck cancer outcome prediction</dc:title>
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        <datestamp>2025-10-01T11:26:42Z</datestamp>
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          <dc:creator>Trtik, Pavel</dc:creator>
          <dc:creator>Lappan, Tobias</dc:creator>
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          <dc:description>The structure of liquid foam is generally considered random and isotropic. However, when foam flows past a set of wires, an inhomogeneous liquid fraction distribution, or layering, can be observed within the bulk. This dataset presents neutron radiography data of foam flowing past a set of thin metal wires. During the experiments, the gas flow rate and bubble size were varied. Additionally, a dataset for foam flow past a single wire is included for reference.


The folder includes initial data for the manuscript "Generating structured foam via flowing through a wire array".

Folder includes:

01_scripts scripts used for the data processing
02_rawdata Initial neutron imaging data (.tif images)
03_evaluation folder with MATLAB scripts used for data analysis

LABBOOK Experimental labbook explaining the experimental sequence.
Protocol The Neutron imaging protocol with the data of neutron source and image resolution

The data processing is shown for the O1 bubble generator. It includes:
1. MASK_... script used to define the cell walls and determine the mask, used further for the liquid fraction calculation.
2. N13_INIT... scritps to define normalised image, which further used to determine liquid fraction distribution
3. POST_BOT... scripts used to postprocess the data: define Liquid fraction distribution and DFT of those distributions.

Note: 

1. The data were analysed at two positions: bottom (0) and top (100), meaining at the wire grid and 100 mm downstream the grid. To this end, mask should be calculated also for the top part of the nozzle, if needed, as shown in the presented examples.

2. The data for the empty cell were calculated for the foam flow through the cell with a single thin wire. The data were extracted
in the ROI before the wire (run 553-557).

3. Data processing was performed as suggested in https://doi.org/10.1371/journal.pone.0210300</dc:description>
          <dc:description>The authors gratefully acknowledge the financial support by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation, under grant number HE 7529/3-1, project number 431077191). This work is based on experiments (beam-time proposal number 20240273) performed at the NEUTRA instrument of the Swiss spallation neutron source SINQ, Paul Scherrer Institute, Villigen, Switzerland.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/3583</dc:identifier>
          <dc:identifier>10.14278/rodare.3583</dc:identifier>
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          <dc:relation>url:https://www.hzdr.de/publications/Publ-41043</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-41037</dc:relation>
          <dc:relation>doi:10.14278/rodare.3582</dc:relation>
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          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Foam</dc:subject>
          <dc:subject>Neutron imaging</dc:subject>
          <dc:subject>Radiography</dc:subject>
          <dc:title>Data publication: Generating structured foam via flowing through a wire array</dc:title>
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          <dc:type>dataset</dc:type>
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          <dc:description>Represent computations as Directed Acyclic Graphs (DAGs), analyze and optimize them, then compile to native code and run!</dc:description>
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          <dc:date>2024-12-16</dc:date>
          <dc:description>This data publication contains the data for our publication "Self-induced Floquet magnons in magnetic vortices". The dataset is structured in folders corresponding to the different figures in the paper. Folder Fig-2 contains the simulated and experimental spectra measured with Brillouin-light-scattering microscopy. The experimental spectra contain the data integrated for the measurement positions described in the methods section. Folder Fig-4 contains the evaluated numerical data presented in the corresponding panels. Folder Fig-5 contains the experimental spectra measured with Brillouin-light-scattering microscopy as a function of power and time. Folder FIG-S1 contains the log file for the sample fabrication and scanning electron microscope (SEM) images. Important note for the SEM images: When acquiring the SEM images, the calibration of the Raith150 tool was off momentarily. This resulted in recording the wrong scale bars with the images. The structure dimensions are known from the design file and were confirmed at another time after adjusting the calibration. Folder S2 contains the BLS spectra for different frequencies of the gyration excitation. Folder S4 and S5 contain the simulated spectra for the respective shown panels. Folder S6 contains the power sweeps and time trace BLS data. Fig S9 contains the shown BLS data.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/3618</dc:identifier>
          <dc:identifier>10.14278/rodare.3618</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:3618</dc:identifier>
          <dc:relation>doi:10.17815/jlsrf-3-159</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-40242</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-39542</dc:relation>
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          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>magnetic vortex</dc:subject>
          <dc:subject>magnon</dc:subject>
          <dc:subject>Floquet states</dc:subject>
          <dc:subject>nonlinearity</dc:subject>
          <dc:title>Data publication: Self-induced Floquet magnons in magnetic vortices</dc:title>
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          <dc:contributor>Schlottke, Jan</dc:contributor>
          <dc:contributor>Weber, Andreas</dc:contributor>
          <dc:creator>Singh, Digvijay</dc:creator>
          <dc:creator>Boden, Stephan</dc:creator>
          <dc:creator>Schlegel, Fabian</dc:creator>
          <dc:date>2024-10-07</dc:date>
          <dc:description>For industrial applications, the two-fluid model is preferred due to its efficient modelling of small-scale interfaces. Whereas, a thin film model, based on a long wave approximation, is used for the unresolved interfaces to obtain the film features by solving the 2D Navier-Stokes equations for wall films. Within the project, the target is to develop an experimentally validated 3D-CFD model to investigate the separation efficiency of droplet separators for fuel cell systems. A hybrid model is developed, which couples the two-fluid model with a thin film model via mass transfer terms for droplet deposition, droplet entrainment and film separation. A two-way coupling between droplets and the thin film is established using mass and momentum source terms, derived analytical and from available experiments. The droplet separator is an essential component of an automotive fuel cell system that segregates a significant amount of liquid fractions from the air-water mixture. The flow dynamics inside a droplet separator consist of a dispersed gas and liquid with a wall adhered thin liquid film. The modelling is divided into the following stages due to the complex fluidic phenomenon inside a generic droplet separator:


	Droplet deposition model,
	Film separation model,
	Film transition model, and
	Population balance model.


The numerical simulations are validated and fine-tuned with experiments carried out at HZDR.</dc:description>
          <dc:description>The research project was self-financed (FVV funding no. 1455) by the FVV e.V.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/3666</dc:identifier>
          <dc:identifier>10.14278/rodare.3666</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:3666</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-37650</dc:relation>
          <dc:relation>doi:10.14278/rodare.2506</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/restrictedAccess</dc:rights>
          <dc:subject>Numerical Simulation</dc:subject>
          <dc:subject>Droplets</dc:subject>
          <dc:subject>Film Modeling</dc:subject>
          <dc:subject>Multiphase Flow</dc:subject>
          <dc:subject>Fuel Cell</dc:subject>
          <dc:subject>Separation</dc:subject>
          <dc:subject>Automotive</dc:subject>
          <dc:title>FVV1455: CFD Simulation of Droplet Separators</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
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          <dc:contributor>Schlottke, Jan</dc:contributor>
          <dc:contributor>Weber, Andreas</dc:contributor>
          <dc:creator>Singh, Digvijay</dc:creator>
          <dc:creator>Boden, Stephan</dc:creator>
          <dc:creator>Schlegel, Fabian</dc:creator>
          <dc:date>2024-10-07</dc:date>
          <dc:description>For industrial applications, the two-fluid model is preferred due to its efficient modelling of small-scale interfaces. Whereas, a thin film model, based on a long wave approximation, is used for the unresolved interfaces to obtain the film features by solving the 2D Navier-Stokes equations for wall films. Within the project, the target is to develop an experimentally validated 3D-CFD model to investigate the separation efficiency of droplet separators for fuel cell systems. A hybrid model is developed, which couples the two-fluid model with a thin film model via mass transfer terms for droplet deposition, droplet entrainment and film separation. A two-way coupling between droplets and the thin film is established using mass and momentum source terms, derived analytical and from available experiments. The droplet separator is an essential component of an automotive fuel cell system that segregates a significant amount of liquid fractions from the air-water mixture. The flow dynamics inside a droplet separator consist of a dispersed gas and liquid with a wall adhered thin liquid film. The modelling is divided into the following stages due to the complex fluidic phenomenon inside a generic droplet separator:


	Droplet deposition model,
	Film separation model,
	Film transition model, and
	Population balance model.


The numerical simulations are validated and fine-tuned with experiments carried out at HZDR.</dc:description>
          <dc:description>The research project was self-financed (FVV funding no. 1455) by the FVV e.V.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/3753</dc:identifier>
          <dc:identifier>10.14278/rodare.3753</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:3753</dc:identifier>
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          <dc:relation>doi:10.14278/rodare.2506</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/restrictedAccess</dc:rights>
          <dc:subject>Numerical Simulation</dc:subject>
          <dc:subject>Droplets</dc:subject>
          <dc:subject>Film Modeling</dc:subject>
          <dc:subject>Multiphase Flow</dc:subject>
          <dc:subject>Fuel Cell</dc:subject>
          <dc:subject>Separation</dc:subject>
          <dc:subject>Automotive</dc:subject>
          <dc:title>FVV1455: CFD Simulation of Droplet Separators</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
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      </metadata>
    </record>
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        <identifier>oai:rodare.hzdr.de:3575</identifier>
        <datestamp>2025-03-03T13:40:09Z</datestamp>
        <setSpec>openaire_data</setSpec>
        <setSpec>user-rodare</setSpec>
        <setSpec>user-pet-center</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Nguyen-Le, Trang-Anh</dc:creator>
          <dc:creator>Neuber, Christin</dc:creator>
          <dc:creator>Cela, Isli</dc:creator>
          <dc:creator>Janićijević, Željko</dc:creator>
          <dc:creator>Rodrigues Loureiro, Liliana Raquel</dc:creator>
          <dc:creator>Hoffmann, Lydia</dc:creator>
          <dc:creator>Feldmann, Anja</dc:creator>
          <dc:creator>Bachmann, Michael</dc:creator>
          <dc:creator>Baraban, Larysa</dc:creator>
          <dc:date>2025-02-20</dc:date>
          <dc:description>Measurement datasets collected from extended gate Field Effect Transistor biosensor and radioactivity measurements</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/3575</dc:identifier>
          <dc:identifier>10.14278/rodare.3575</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:3575</dc:identifier>
          <dc:relation>doi:10.1002/smsc.202400515</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-41016</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-40710</dc:relation>
          <dc:relation>doi:10.14278/rodare.3574</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/pet-center</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>immunosensor</dc:subject>
          <dc:subject>field-effect-transistor</dc:subject>
          <dc:subject>immunotherapy</dc:subject>
          <dc:subject>precision medicine</dc:subject>
          <dc:subject>point-of-care</dc:subject>
          <dc:subject>extended gate</dc:subject>
          <dc:subject>biosensor</dc:subject>
          <dc:title>Data publication: Towards Personalized Immunotherapeutic Drug Monitoring with Multiplexed Extended Gate FET Biosensors</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
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    <record>
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        <identifier>oai:rodare.hzdr.de:4561</identifier>
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        <setSpec>openaire_data</setSpec>
        <setSpec>user-fwd</setSpec>
        <setSpec>user-rodare</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Huang, Guangyuan</dc:creator>
          <dc:creator>Tan, Shiyong</dc:creator>
          <dc:creator>Hessenkemper, Hendrik</dc:creator>
          <dc:creator>Lucas, Dirk</dc:creator>
          <dc:creator>Eckert, Kerstin</dc:creator>
          <dc:creator>Ni, Rui</dc:creator>
          <dc:creator>Bourgoin, Mickael</dc:creator>
          <dc:creator>Bragg, Andrew</dc:creator>
          <dc:creator>Ma, Tian</dc:creator>
          <dc:date>2026-03-15</dc:date>
          <dc:description>This data publication contains the data to reproduce the figures for the paper "Super-ballistic pair dispersion in bubble-induced turbulence: Contrast between tracers and bubbles".</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/4561</dc:identifier>
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          <dc:relation>url:https://www.hzdr.de/publications/Publ-43133</dc:relation>
          <dc:relation>doi:10.14278/rodare.4560</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/fwd</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:title>Super-ballistic pair dispersion in bubble-induced turbulence: Contrast between tracers and bubbles</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
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    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:2487</identifier>
        <datestamp>2024-03-06T09:29:32Z</datestamp>
        <setSpec>openaire_data</setSpec>
        <setSpec>user-rodare</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Shi, Pengyu</dc:creator>
          <dc:creator>Tholan, Vaishakh</dc:creator>
          <dc:creator>Sommer, Anna-Elisabeth</dc:creator>
          <dc:creator>Heitkam, Sascha</dc:creator>
          <dc:creator>Eckert, Kerstin</dc:creator>
          <dc:creator>Kevin, Galvin</dc:creator>
          <dc:creator>Rzehak, Roland</dc:creator>
          <dc:date>2023-09-22</dc:date>
          <dc:description>supplementary material for bubble trajectories</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/2487</dc:identifier>
          <dc:identifier>10.14278/rodare.2487</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:2487</dc:identifier>
          <dc:relation>doi:10.1016/j.ijmultiphaseflow.2023.104620</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-37360</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-37359</dc:relation>
          <dc:relation>doi:10.14278/rodare.2486</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>spherical bubble</dc:subject>
          <dc:subject>inclined channel</dc:subject>
          <dc:subject>drag force</dc:subject>
          <dc:subject>lift force</dc:subject>
          <dc:subject>wake bending</dc:subject>
          <dc:title>supplementary material for bubble trajectories</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
      </metadata>
    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:739</identifier>
        <datestamp>2021-11-12T13:10:50Z</datestamp>
        <setSpec>software</setSpec>
        <setSpec>user-fwd</setSpec>
        <setSpec>user-rodare</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Lecrivain, Gregory</dc:creator>
          <dc:date>2021-01-12</dc:date>
          <dc:description>This archive contains the raw data and the original code described in the manuscript "Dynamics of mono- and poly-disperse two-dimensional foams flowing in an obstructed channel", submitted in 2020 to Journal of Fluid Mechanics by Thales Carl Lavoratti, Sascha Heitkam, Uwe Hampel, and Gregory Lecrivain. The archive contains the following data:

- C++ code used to simulate the foam dynamics and create the raw data (petsc.tar.gz)

- selected raw data in petsc format. The mono-disperse scenarios V125.tar.gz, V200.tar.gz, V250.tar.gz, V350.tar.gz correspond to the gas fractions \varepsilon = 0.44, 0.68, 0.83, and 0.99, respectively. The poly-disperse scenarios V125r.tar.gz, V200r.tar.gz, V250r.tar.gz, V350r.tar.gz correspond to the gas fractions 0.44, 0.69, 0.84, and 0.99, respectively

- bash and python scripts used to create bubble contours from the petsc raw data (scripts.tar.gz)

- extracted bubble contours (contours.tar.gz)

- python codes used to make figures and animations (figures.tar.gz)

- Mathematica notebook testing the wall potential f(\phi_w) = 0 (potential.nb)

- manuscript data (manuscript.tar.gz)

For further questions, feel free to contact me (g.lecrivain@hzdr.de).</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/739</dc:identifier>
          <dc:identifier>10.14278/rodare.739</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:739</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-32542</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-31374</dc:relation>
          <dc:relation>doi:10.14278/rodare.738</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/fwd</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Flowing foam</dc:subject>
          <dc:subject>Phase-field simulation</dc:subject>
          <dc:subject>Obstructed channel</dc:subject>
          <dc:title>Data/Software for: Dynamics of mono- and poly-disperse two-dimensional foams flowing in an obstructed channel</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>software</dc:type>
        </oai_dc:dc>
      </metadata>
    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:3420</identifier>
        <datestamp>2025-05-06T09:07:13Z</datestamp>
        <setSpec>software</setSpec>
        <setSpec>user-hzdr</setSpec>
        <setSpec>user-rodare</setSpec>
        <setSpec>user-casus</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Wicaksono, Damar Canggih</dc:creator>
          <dc:creator>Hecht, Michael</dc:creator>
          <dc:date>2025-01-21</dc:date>
          <dc:description>UQTestFuns is an open-source Python3 library of test functions commonly used within the applied uncertainty quantification (UQ) community. Specifically, the package provides:


	an implementation with minimal dependencies (i.e., NumPy and SciPy) and a common interface of many test functions
	a single entry point collecting test functions and their probabilistic input specifications in a single Python package
	an opportunity for an open-source contribution, supporting the implementation of new test functions or posting reference results.


In short, UQTestFuns is an homage to the Virtual Library of Simulation Experiments (VLSE).

v0.6.0 is a minor release that further expands the library of available UQ test functions and introduces several bug fixes. This update introduces 19 new test functions, bringing the total to 75.

See the complete CHANGELOG.

v0.5.0 is a minor release that further expands the library of available UQ test functions. This update introduces 14 new test functions, bringing the total to 56.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/3420</dc:identifier>
          <dc:identifier>10.14278/rodare.3420</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:3420</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>doi:10.21105/joss.05671</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-37736</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-37735</dc:relation>
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          <dc:relation>url:https://rodare.hzdr.de/communities/casus</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/hzdr</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://opensource.org/licenses/MIT</dc:rights>
          <dc:subject>python</dc:subject>
          <dc:subject>uncertainty-quantification</dc:subject>
          <dc:subject>benchmark</dc:subject>
          <dc:subject>sensitivity-analysis</dc:subject>
          <dc:subject>metamodeling</dc:subject>
          <dc:subject>reliability-analysis</dc:subject>
          <dc:title>UQTestFuns: A Python3 Library of Uncertainty Quantification (UQ) Test Functions</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>software</dc:type>
        </oai_dc:dc>
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    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:336</identifier>
        <datestamp>2023-01-16T13:51:10Z</datestamp>
        <setSpec>openaire_data</setSpec>
        <setSpec>user-energy</setSpec>
        <setSpec>user-rodare</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Pereira, Lucas</dc:creator>
          <dc:creator>Frenzel, Max</dc:creator>
          <dc:creator>Khodadadzadeh, Mahdi</dc:creator>
          <dc:creator>Tolosana Delgado, Raimon</dc:creator>
          <dc:creator>Gutzmer, Jens</dc:creator>
          <dc:date>2020-05-19</dc:date>
          <dc:description>This file contains a train and a test datasets that can be used to construct fictional mineral processing studies, on a particle level, using known equations for different separation techniques. This data was collected with a mineral liberation analyzer at the Helmholtz Institute Freiberg for Resource Technology. The probabilities, and classes present together with the data are part of a publication in the journal of cleaner production. These could be simply removed in order to construct new cases.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/336</dc:identifier>
          <dc:identifier>10.14278/rodare.336</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:336</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>doi:10.1016/j.jclepro.2020.123711</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-31053</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-30727</dc:relation>
          <dc:relation>doi:10.14278/rodare.335</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/energy</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>particle-tracking</dc:subject>
          <dc:subject>geometallurgy</dc:subject>
          <dc:subject>mineral processing modelling</dc:subject>
          <dc:subject>flotation</dc:subject>
          <dc:subject>automated mineralogy</dc:subject>
          <dc:subject>resource efficiency</dc:subject>
          <dc:title>Particle dataset for constructing mineral processing case studies</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
      </metadata>
    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:2326</identifier>
        <datestamp>2024-07-01T12:31:35Z</datestamp>
        <setSpec>software</setSpec>
        <setSpec>user-rodare</setSpec>
        <setSpec>user-fwd</setSpec>
        <setSpec>user-energy</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Lecrivain, Gregory</dc:creator>
          <dc:date>2023-06-07</dc:date>
          <dc:description>Source code associated with publication entitled "Self-folding of two-dimensional thin templates into pyramidal micro-structures by a liquid drop - a numerical model"

src.tar.gz: c++ source code

scripts.tar.gz: figures

manuscript.tar.gz: text

ca70_side5_ec2.0.tar.gz: Simulation data obtained for Ca=70 deg, N = 5 and Ec = 2

ca90_side5_ec2.0.tar.gz: Simulation data obtained for Ca=90 deg, N = 5 and Ec = 2</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/2326</dc:identifier>
          <dc:identifier>10.14278/rodare.2326</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:2326</dc:identifier>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-37084</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-37083</dc:relation>
          <dc:relation>doi:10.14278/rodare.2325</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/energy</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/fwd</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:title>Self-folding of two-dimensional thin templates into pyramidal micro-structures by a liquid drop - a numerical model</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>software</dc:type>
        </oai_dc:dc>
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    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:2803</identifier>
        <datestamp>2024-07-01T12:31:35Z</datestamp>
        <setSpec>software</setSpec>
        <setSpec>user-rodare</setSpec>
        <setSpec>user-fwd</setSpec>
        <setSpec>user-energy</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:contributor>Lecrivain, Gregory</dc:contributor>
          <dc:creator>Lecrivain, Gregory</dc:creator>
          <dc:date>2024-04-14</dc:date>
          <dc:description>Source 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/local. The libraries' tarballs needed to compile the code are placed in the Libs directory.

4.3)
I have manually installed paraview 5.9.1 in $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=$LD_LIBRARY_PATH:$HOME/local/libconfig-1.7.3/lib
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$HOME/local/gmp-6.2.1/lib
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$HOME/local/mpfr-4.1.0/lib
export PATH=$PATH:$HOME/Documents/microorigami/src #(or whereever, your chosen parent directory is)
export PATH=$PATH:$HOME/Documents/microorigami/scripts #(or whereever, your chosen parent directory is)
export PATH=$PATH:$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".</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/2803</dc:identifier>
          <dc:identifier>10.14278/rodare.2803</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:2803</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-37084</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-37083</dc:relation>
          <dc:relation>doi:10.14278/rodare.2325</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/energy</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/fwd</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Micro-origami simulation</dc:subject>
          <dc:subject>drop encapsulation</dc:subject>
          <dc:subject>self-folding</dc:subject>
          <dc:subject>fluid-structure interaction</dc:subject>
          <dc:title>Self-folding of two-dimensional thin templates into pyramidal micro-structures by a liquid drop - a numerical model</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>software</dc:type>
        </oai_dc:dc>
      </metadata>
    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:397</identifier>
        <datestamp>2020-10-30T11:55:52Z</datestamp>
        <setSpec>openaire_data</setSpec>
        <setSpec>user-rodare</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Altstadt, Eberhard</dc:creator>
          <dc:creator>Bergner, Frank</dc:creator>
          <dc:creator>Houska, Mario</dc:creator>
          <dc:date>2020-07-16</dc:date>
          <dc:description>The data set is related to a manuscript entitled "Use of the small punch test for the estimation of ductile-to-brittle transition temperature shift of irradiated steels". Contents raw data of small punch tests, evaluation data of small punch tests and Charpy impact tests, correlation and regression analysis.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/397</dc:identifier>
          <dc:identifier>10.14278/rodare.397</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:397</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-31334</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-31333</dc:relation>
          <dc:relation>doi:10.14278/rodare.396</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/restrictedAccess</dc:rights>
          <dc:subject>small punch test</dc:subject>
          <dc:subject>Charpy impact test</dc:subject>
          <dc:subject>ductile-to-brittle-transition temperature</dc:subject>
          <dc:subject>reactor pressure vessel steel</dc:subject>
          <dc:subject>neutron irradiation</dc:subject>
          <dc:title>Data set on DBTTs from SPT and CVN</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
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    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:2301</identifier>
        <datestamp>2023-05-22T07:25:01Z</datestamp>
        <setSpec>openaire_data</setSpec>
        <setSpec>user-rodare</setSpec>
        <setSpec>user-energy</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Pfeufer, Rike Alena</dc:creator>
          <dc:date>2023-05-09</dc:date>
          <dc:description>data sets of dynamic contact angle measurements of water onuncoated and coated (heptadecyl punicine) hiddenite, kunzite and quartz.

Measurements were carried out at the OCA25 from DataPhysics Instruments GmbH with the ARCA method.

 </dc:description>
          <dc:description>files are named as follows:
mineral_coated/uncoated_numer of experiment

minerals:
H1-  hiddenite1
H2 - hiddenite 2
K1 - kunzite 1
K2 - kunzite 2
K3 - kunzite 3
Q1 - quartz 1
Q2 - quartz 2
Q3 - quartz 3

coating:
unb - uncoated
C17 - coated with a monolayer of heptadecyl punicine</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/2301</dc:identifier>
          <dc:identifier>10.14278/rodare.2301</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:2301</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-36943</dc:relation>
          <dc:relation>doi:10.14278/rodare.2300</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/energy</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:title>dynamic contact angles of water of uncoated and coated (heptadecyl punicine) on quartz, hiddenite and kunzite</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
      </metadata>
    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:3027</identifier>
        <datestamp>2024-07-29T06:46:12Z</datestamp>
        <setSpec>openaire_data</setSpec>
        <setSpec>user-hzdr</setSpec>
        <setSpec>user-rodare</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Klotzsche, Max</dc:creator>
          <dc:creator>Dück, Viktor</dc:creator>
          <dc:creator>Drobot, Björn</dc:creator>
          <dc:creator>Vogel, Manja</dc:creator>
          <dc:creator>Raff, Johannes</dc:creator>
          <dc:creator>Stumpf, Thorsten</dc:creator>
          <dc:creator>Steudtner, Robin</dc:creator>
          <dc:date>2024-07-26</dc:date>
          <dc:description>Publication of bioassociation, spectroscopic, chromatographic and thermodynamically modelled data obtained in hydroponic plant experiments with Eu(III).</dc:description>
          <dc:description>europium; speciation; phytoremediation; bioassociation; laser spectroscopy; lanthanides; hydroponics; plant uptake; root exudates; thermodynamic modelling</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/3027</dc:identifier>
          <dc:identifier>10.14278/rodare.3027</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:3027</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-39228</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-39219</dc:relation>
          <dc:relation>doi:10.14278/rodare.3026</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/hzdr</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>europium</dc:subject>
          <dc:subject>speciation</dc:subject>
          <dc:subject>phytoremediation</dc:subject>
          <dc:subject>bioassociation</dc:subject>
          <dc:subject>laser spectroscopy</dc:subject>
          <dc:subject>lanthanides</dc:subject>
          <dc:subject>hydroponics</dc:subject>
          <dc:subject>plant uptake</dc:subject>
          <dc:subject>root exudates</dc:subject>
          <dc:subject>thermodynamic modelling</dc:subject>
          <dc:title>Data publication: In search of phytoremediation candidates: Eu(III) bioassociation and root exudation in hydroponically grown plants</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
      </metadata>
    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:4563</identifier>
        <datestamp>2026-03-17T09:47:54Z</datestamp>
        <setSpec>openaire_data</setSpec>
        <setSpec>user-rodare</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Dornheim, Tobias</dc:creator>
          <dc:creator>Benedix Robles, Alexander</dc:creator>
          <dc:creator>Hamann, Paul</dc:creator>
          <dc:creator>Chuna, Thomas Michael</dc:creator>
          <dc:creator>Svensson, Pontus</dc:creator>
          <dc:creator>Schwalbe, Sebastian</dc:creator>
          <dc:creator>Moldabekov, Zhandos</dc:creator>
          <dc:creator>Tolias, Panagiotis</dc:creator>
          <dc:creator>Vorberger, Jan</dc:creator>
          <dc:date>2026-03-16</dc:date>
          <dc:description>This repository contains the PIMC raw data for the publication "Taylor series perspective on ab initio path integral Monte Carlo simulations with Fermi-Dirac statistics" using the same units and formatting as in the plots.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/4563</dc:identifier>
          <dc:identifier>10.14278/rodare.4563</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:4563</dc:identifier>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-43150</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-41848</dc:relation>
          <dc:relation>doi:10.14278/rodare.4562</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:title>Data publication: Taylor series perspective on ab initio path integral Monte Carlo simulations with Fermi-Dirac statistics</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
      </metadata>
    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:1291</identifier>
        <datestamp>2024-08-09T12:53:27Z</datestamp>
        <setSpec>openaire_data</setSpec>
        <setSpec>user-ecfunded</setSpec>
        <setSpec>user-rodare</setSpec>
        <setSpec>user-elbe</setSpec>
        <setSpec>user-telbe</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Deinert, Jan-Christoph</dc:creator>
          <dc:creator>Kovalev, Sergey</dc:creator>
          <dc:creator>Tielrooij, Klaas-Jan</dc:creator>
          <dc:date>2021-12-15</dc:date>
          <dc:description>Research data for used for the publication: "Grating-graphene metamaterial as a platform for terahertz nonlinear photonics".

Datasets measured at the TELBE accelerator-based THz source are measured using a pulse-resolved detection scheme. The data points are sorted according to the absolute arrival time measurement. The four columns hold the following data:
1) absolute time in picoseconds
2) Signal of the emitted THz measured by electro-optic sampling.
3) Relative THz intensity measured using a pyroelectric detector. THz intensity is proportional to absolute power of the signal.
4) Data corresponding to the relative timing of each pulse. Not used for further analysis of the data.

The filenumbers of the measurements used for the figures are as follows:
Fig. 1a: File 003
Fig. 1b-c: File 043
Fig. 1d-e: File 086

Fig. 2a: Files 080..088 (bare graphene) and 031..049 (grating)
Fig. 2b: same

Fig. 3a: Files 050..057
Fig. 3c: Files 076..079

Fig. 4. Table top measurements; no file numbers

Supp. Fig. 2: File 030

Supp. Fig. 4: File 024..025

Supp. Fig. 7a: Files 031..034 and 036..041
Supp. Fig. 7b: Files 080..083
Supp. Fig. 7d: Files 031..049 and 080..086

Supp. Fig. 9a: Files 031..046
Supp. Fig. 9b: Files 080..085 and 087..088

 

The datasets measured using a table-top laser source contain two columns. The first one is the position of the optical delay stage in mm that has to be multiplied by 6.667 ps/mm to define the time axis. The second column contains the THz signal as measured using electro-optic sampling.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/1291</dc:identifier>
          <dc:identifier>10.14278/rodare.1291</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:1291</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>info:eu-repo/grantAgreement/EC/H2020/737038/</dc:relation>
          <dc:relation>info:eu-repo/grantAgreement/EC/H2020/804349/</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-33671</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-31564</dc:relation>
          <dc:relation>doi:10.14278/rodare.1290</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/ecfunded</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/elbe</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/telbe</dc:relation>
          <dc:rights>info:eu-repo/semantics/restrictedAccess</dc:rights>
          <dc:subject>Terahertz</dc:subject>
          <dc:subject>Graphene</dc:subject>
          <dc:subject>Ultrafast</dc:subject>
          <dc:subject>Metamaterial</dc:subject>
          <dc:subject>High harmonics</dc:subject>
          <dc:title>Research data: Grating-graphene metamaterial as a platform for terahertz nonlinear photonics</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
      </metadata>
    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:4896</identifier>
        <datestamp>2026-08-20T12:50:31Z</datestamp>
        <setSpec>openaire_data</setSpec>
        <setSpec>user-energy</setSpec>
        <setSpec>user-rodare</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Bachmann, Kai</dc:creator>
          <dc:creator>Renno, Axel D.</dc:creator>
          <dc:creator>Pospiech, Solveig</dc:creator>
          <dc:creator>Duckstein, Alexandra</dc:creator>
          <dc:date>2026-07-31</dc:date>
          <dc:description>SEM-based automated mineralogy was performed on polished thin sections from 20 different samples from the “Granittagebau Rauschwitz-Kindisch” (Upper Lusatia, Germany).

This quarry is frequently cited in geological literature as the “Kindisch Quarry” or “Steinbruch Kindisch.” The rocks are part of the Cadomian Lusatian Granodiorite Complex (Lusatian Massif).

The basement of the Lusatian Massif consists of monotonous, flysch-like, Precambrian greywacke and pelite sequences (Kröner et al., 1994; Linnemann et al., 2010). These rocks are primarily found in the northern part of the massif and consolidated during the Cadomian orogeny (approximately 570–540 million years ago).  The granodiorites and greywackes formed around 540–530 Ma (Linnemann 2007; Tichomirowa et al. 2001; Tichomirowa 2002).

The samples were analyzed using a Mineral Liberation Analyzer (MLA) with SEM-based automated mineralogy at the Helmholtz Institute Freiberg for Resource Technology. The MLA consists of a FEI Quanta 650F field emission scanning electron microscope (SEM) with two Bruker Quantax X-Flash 5030 energy dispersive X-ray (EDX) detectors, as well as FEI's MLA Suite v. 3.1.4.686 software for data acquisition. MLA identifies mineral grains based on backscattered electron (BSE) image segmentation and collection of EDX spectra of grains distinguished in BSE imaging mode. However, boundaries between two grains of the same mineral are not visible because their BSE intensities are identical. The collected EDX spectra are then classified using a list of mineral spectra collected for granitic rocks and adapted to the mineralogical characteristics of the investigated granodiorites. More detailed information about the functionality of the MLA system can be found in Bachmann et al. (2017).

A resolution of 3×3 µm per pixel was used. The measurements were taken during two measurement periods in December 2023 and January 2024 under identical conditions. The data are therefore summarized here and are not presented broken down by measurement date.

The data is structured as follows:


	The main results are available as BMP images with a spatial resolution of 3 µm × 3 µm per pixel.
	The *_MINERAL_SAMPLE.bmp files contain the assigned mineral information. The corresponding legend can be found in Granite_Legend.png.
	The *_BSE_SAMPLE.bmp files contain the results of the backscattered electron contrast analysis as grayscale values.
	The “Samples” folder contains the original measurement data for each individual sample, along with the GXMAP data compiled for each sample in the ‘GXMAP’ subfolder, including the time of measurement.
	The “Processing Scripts” folder documents the individual scripts used in the automated workflows.
	The “Mineral_List” folder contains the adapted mineral list that was used.


 </dc:description>
          <dc:description>The data is compiled into a single ZIP file.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/4896</dc:identifier>
          <dc:identifier>10.14278/rodare.4896</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:4896</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-43717</dc:relation>
          <dc:relation>doi:10.14278/rodare.4895</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/energy</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Granodiorite</dc:subject>
          <dc:subject>SEM-based automated mineralogy</dc:subject>
          <dc:subject>Kindisch</dc:subject>
          <dc:subject>Upper Lusatia</dc:subject>
          <dc:subject>Germany</dc:subject>
          <dc:subject>Mineral Liberation Analyser</dc:subject>
          <dc:subject>Lusatian Massif</dc:subject>
          <dc:title>SEM-based automated mineralogy analysis of various granodiorite samples from the Kindisch quarry (Upper Lusatia, Germany)</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
      </metadata>
    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:2033</identifier>
        <datestamp>2022-12-20T10:39:37Z</datestamp>
        <setSpec>software</setSpec>
        <setSpec>user-mu2e</setSpec>
        <setSpec>user-rodare</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Müller, Stefan</dc:creator>
          <dc:date>2022-12-15</dc:date>
          <dc:description>This publication contains configuration files for simulations using the FLUKA2021 radiation transport package for mu- and pi- yields for different production target designs for a possible Mu2e-II experiment at FNAL, US.</dc:description>
          <dc:description>Funding obtained from  H2020 Grant Agreement No 10100672.
The work is related to Fermilab LDRD ""Pion-production target conceptual studies for
Mu2e-II" (FNAL-LDRD-2020-020)</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/2033</dc:identifier>
          <dc:identifier>10.14278/rodare.2033</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:2033</dc:identifier>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-35191</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-35861</dc:relation>
          <dc:relation>doi:10.14278/rodare.2032</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/mu2e</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>FLUKA</dc:subject>
          <dc:subject>MU2E-II</dc:subject>
          <dc:title>Particle yield calculations for different target designs at Mu2e-II</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>software</dc:type>
        </oai_dc:dc>
      </metadata>
    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:2324</identifier>
        <datestamp>2024-08-12T07:23:22Z</datestamp>
        <setSpec>openaire_data</setSpec>
        <setSpec>user-rodare</setSpec>
        <setSpec>user-elbe</setSpec>
        <setSpec>user-pelbe</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Attallah, Ahmed G.</dc:creator>
          <dc:creator>Prucnal, Slawomir</dc:creator>
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          <dc:creator>Schulz, S. E.</dc:creator>
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          <dc:relation>url:https://www.hzdr.de/publications/Publ-36933</dc:relation>
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          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:title>Data publication: Millisecond Flash Lamp Curing for Porosity Generation in Thin Films</dc:title>
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          <dc:creator>Kapoor, Garima</dc:creator>
          <dc:creator>Akhmadaliev, Shavkat</dc:creator>
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          <dc:relation>url:https://www.hzdr.de/publications/Publ-33324</dc:relation>
          <dc:relation>doi:10.14278/rodare.1250</dc:relation>
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          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>iron</dc:subject>
          <dc:subject>Fe-Cr alloy</dc:subject>
          <dc:subject>ferritic-martensitic steel</dc:subject>
          <dc:subject>ion irradiation</dc:subject>
          <dc:subject>displacement damage</dc:subject>
          <dc:subject>nanoindentation</dc:subject>
          <dc:subject>irradiation hardeníng</dc:subject>
          <dc:subject>indentation size effect</dc:subject>
          <dc:title>Data publication: Nanoindentation response of ion-irradiated Fe, Fe-Cr alloys and ferritic-martensitic steel Eurofer 97: The effect of ion energy</dc:title>
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In Python, the parameters specified in the header are varied within their respective ranges, and GWB is then executed.
Input parameters are:
Solid/liquid ratio (SLR), pH, concentrations of UO2++, NpO2++, Am+++, Eh, Ca++, HCO3-, mineral composition in wt% (albite, orthoclase, quartz, goethite, phlogopite, illite, clinoclase).
The conversion of the minerals to grams is based on the SLR and a water volume of 1 L.
Output parameters are the Kd values of UO2++, NpO2++, and Am+++ as well as their logarithms to the base 10 (and the imbalance and imbalance error).</dc:description>
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          <dc:title>Kd Input/Output Matrix for the Sorption of Uranium, Americium, and Neptunium onto Granite</dc:title>
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        <identifier>oai:rodare.hzdr.de:1838</identifier>
        <datestamp>2022-08-24T07:43:05Z</datestamp>
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          <dc:creator>Brust, Peter</dc:creator>
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          <dc:description>PET data, mice; i.v. administration of [18F]FLUDA with and without pre-administration of istradefylline</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/1838</dc:identifier>
          <dc:identifier>10.14278/rodare.1838</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:1838</dc:identifier>
          <dc:relation>doi:10.3390/ijms23031025</dc:relation>
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          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
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          <dc:subject>[18F]FLUDA</dc:subject>
          <dc:subject>A2A adenosine receptor</dc:subject>
          <dc:subject>PET</dc:subject>
          <dc:subject>myocardium</dc:subject>
          <dc:title>Data publication: Non-invasive assessment of locally overexpressed human adenosine 2A receptors in the heart of transgenic mice</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
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    <record>
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        <identifier>oai:rodare.hzdr.de:2197</identifier>
        <datestamp>2024-08-13T12:24:49Z</datestamp>
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        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Murphy, Gabriel L.</dc:creator>
          <dc:creator>Gericke, Robert</dc:creator>
          <dc:creator>Gilson, Sara</dc:creator>
          <dc:creator>Bazarkina, Elena</dc:creator>
          <dc:creator>Roßberg, André</dc:creator>
          <dc:creator>Kaden, Peter</dc:creator>
          <dc:creator>Thümmler, Robert</dc:creator>
          <dc:creator>Klinkenberg, Martina</dc:creator>
          <dc:creator>Henkes, Maximilian</dc:creator>
          <dc:creator>Kegler, Philip</dc:creator>
          <dc:creator>Svitlyk, Volodymyr</dc:creator>
          <dc:creator>Marquardt, Julien</dc:creator>
          <dc:creator>Lender, Theresa</dc:creator>
          <dc:creator>Hennig, Christoph</dc:creator>
          <dc:creator>Kvashnina, Kristina</dc:creator>
          <dc:creator>Huittinen, Nina Maria</dc:creator>
          <dc:date>2023-03-27</dc:date>
          <dc:description>Experimental and fitted EPR data of Cr-UO2 single crystal grains, EXAFS data Cr-UO2 single crystal grain and powder with Cr redox standards, XANES data Cr-UO2 single crystal grain and powder with Cr redox standards</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/2197</dc:identifier>
          <dc:identifier>10.14278/rodare.2197</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:2197</dc:identifier>
          <dc:language>eng</dc:language>
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          <dc:relation>url:https://www.hzdr.de/publications/Publ-36731</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-35473</dc:relation>
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          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Cr-doped UO2</dc:subject>
          <dc:subject>Nuclear Fuel</dc:subject>
          <dc:subject>Uranium</dc:subject>
          <dc:subject>EPR</dc:subject>
          <dc:subject>HERFD-XANES</dc:subject>
          <dc:subject>EXAFS</dc:subject>
          <dc:title>Data publication: Deconvoluting Cr States in Cr-Doped UO2 Nuclear Fuels via Bulk and Single Crystal Spectroscopic Studies</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
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    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:663</identifier>
        <datestamp>2021-12-17T08:42:38Z</datestamp>
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        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Ramakrishna, Kushal</dc:creator>
          <dc:creator>Cangi, Attila</dc:creator>
          <dc:creator>Dornheim, Tobias</dc:creator>
          <dc:creator>Vorberger, Jan</dc:creator>
          <dc:creator>Baczewski, Andrew</dc:creator>
          <dc:date>2021-03-08</dc:date>
          <dc:description>The theoretical understanding of plasmon behavior is crucial for an accurate interpretation of inelastic
scattering diagnostics in many experiments. We highlight the utility of linear-response time-dependent density
functional theory (LR-TDDFT) as a first-principles framework for consistently modeling plasmon properties.
We provide a comprehensive analysis of plasmons in aluminum from ambient to warm dense matter conditions
and assess typical properties such as the dynamical structure factor, the plasmon dispersion, and the plasmon
lifetime. We compare our results with scattering measurements and with other TDDFT results as well as models
such as the random phase approximation, the Mermin approach, and the dielectric function obtained using static
local field corrections of the uniform electron gas parametrized from path-integral Monte Carlo simulations. We
conclude that results for the plasmon dispersion and lifetime are inconsistent between experiment and theories
and that the common practice of extracting and studying plasmon dispersion relations is an insufficient procedure
to capture the complicated physics contained in the dynamic structure factor in its full breadth.
 </dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/663</dc:identifier>
          <dc:identifier>10.14278/rodare.663</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:663</dc:identifier>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-31876</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-31868</dc:relation>
          <dc:relation>doi:10.14278/rodare.331</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Warm dense matter</dc:subject>
          <dc:subject>TDDFT</dc:subject>
          <dc:title>Data for: "First-principles modeling of plasmons in aluminum under ambient and extreme conditions"</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
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    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:3338</identifier>
        <datestamp>2025-01-20T07:31:08Z</datestamp>
        <setSpec>openaire_data</setSpec>
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        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Kohlfürst, Christian</dc:creator>
          <dc:date>2024-12-16</dc:date>
          <dc:description>Data sets used to generate the figures and tables in the associated paper. In addition, Matlab files have been attached to ensure that the data can be read correctly.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/3338</dc:identifier>
          <dc:identifier>10.14278/rodare.3338</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:3338</dc:identifier>
          <dc:relation>doi:10.1103/PhysRevD.110.L111903</dc:relation>
          <dc:relation>doi:10.48550/arXiv.2212.03180</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-40230</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-35736</dc:relation>
          <dc:relation>doi:10.14278/rodare.3337</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Strong-Field Quantum Electrodynamics</dc:subject>
          <dc:subject>Electron-Positron Pair Production</dc:subject>
          <dc:subject>Breit-Wheeler Process</dc:subject>
          <dc:subject>Non-equilibrium quantum field theory</dc:subject>
          <dc:subject>Wigner formalism</dc:subject>
          <dc:title>Data publication: Pair Production in Circularly Polarized Waves</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
      </metadata>
    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:1117</identifier>
        <datestamp>2023-02-16T08:16:47Z</datestamp>
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      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Paschke-Brühl, Franziska-Luise</dc:creator>
          <dc:date>2021-07-27</dc:date>
          <dc:description>This bachelor thesis studies the feasibility of grazing-incidence small-angle x-ray scattering&#13;
(GISAXS) in the UHI laser-target interaction via computational simulations with SMILEI. In&#13;
this work we briefly analyze the front and back of the target. We find predominantly that the&#13;
compression of the target becomes apparent in the GISAXS pattern, while we can not observe&#13;
ablation. We will mainly focus on the density oscillation, a dynamic that has not been mentio-&#13;
ned in literature yet. The density oscillation dynamics depend on a simple pressure gradient&#13;
in between the layers. We observe the multi layers inversely oscillating in density and a global&#13;
density alteration moving through the target. The density alteration allows to recognize the&#13;
dynamic in a GISAXS pattern. We learn, that GISAXS is feasible in the high intensity regime,&#13;
but not for the same dynamics as in the lower intensity regime.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/1117</dc:identifier>
          <dc:identifier>10.14278/rodare.1117</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:1117</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-33027</dc:relation>
          <dc:relation>doi:10.14278/rodare.1116</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>GISAXS</dc:subject>
          <dc:subject>SAXS</dc:subject>
          <dc:subject>grazing-incidence small-angle x-ray scattering</dc:subject>
          <dc:subject>SMILEI</dc:subject>
          <dc:subject>Simulation</dc:subject>
          <dc:subject>Density Oscialltion</dc:subject>
          <dc:title>Simulating Multi Layer Targets for Grazing Incidence Small Angle X-ray Scattering</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>other</dc:type>
        </oai_dc:dc>
      </metadata>
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    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:3866</identifier>
        <datestamp>2025-07-14T06:52:59Z</datestamp>
        <setSpec>openaire_data</setSpec>
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      </header>
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        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Chuna, Thomas Michael</dc:creator>
          <dc:creator>Vorberger, Jan</dc:creator>
          <dc:creator>Tolias, Panagiotis</dc:creator>
          <dc:creator>Benedix Robles, Alexander</dc:creator>
          <dc:creator>Hecht, Michael</dc:creator>
          <dc:creator>Hofmann, Phil-Alexander</dc:creator>
          <dc:creator>Moldabekov, Zhandos</dc:creator>
          <dc:creator>Dornheim, Tobias</dc:creator>
          <dc:date>2025-07-12</dc:date>
          <dc:description>This repository contains the PIMC raw data as they are visualized in the article "Second roton feature in the strongly coupled electron liquid", and using the same units and conventions.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/3866</dc:identifier>
          <dc:identifier>10.14278/rodare.3866</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:3866</dc:identifier>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-41614</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-41351</dc:relation>
          <dc:relation>doi:10.14278/rodare.3865</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:title>Data publication: Second roton feature in the strongly coupled electron liquid</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
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          <dc:description>This repository contains the DFT simulation results presented in the article "Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons". The minimal dataset that would be necessary to interpret, replicate and build upon the findings reported in the article.</dc:description>
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          <dc:description>This folder "XPS data" contains original and evaluated XPS data (.vms) on a p-GaN sample which was treated at various temperatures and underwent Ar+ irradiation.

Furthermore, the folder "REM Images" contains REM images (.tif) and EDX data (.xlsx) on the used excessively treated sample.

All images that are published in the main manuscript are collected as .tif files in the folder "images".</dc:description>
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          <dc:contributor>Hampel, Uwe</dc:contributor>
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          <dc:date>2021-01-28</dc:date>
          <dc:description>The hydrodynamic data of a single-pass cross-flow sieve tray equipped in an air/water column mockup (0.8 m dia.) are provided here. The uploaded data were obtained after processing the two-phase dispersion data acquired by a novel multi-probe flow profiler. Effective froth height distribution, 3D liquid holdup distribution, and tracer-based data (i.e., appearance time distribution (ATD) parameters and liquid velocity map) are provided for the studied loadings.    </dc:description>
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          <dc:identifier>oai:rodare.hzdr.de:776</dc:identifier>
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          <dc:subject>column tray</dc:subject>
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          <dc:subject>hydrodynamics</dc:subject>
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          <dc:creator>Bott, L.</dc:creator>
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          <dc:creator>Erbacher, P.</dc:creator>
          <dc:creator>Fifield, Keith</dc:creator>
          <dc:creator>Froehlich, Michaela</dc:creator>
          <dc:creator>Göbel, K.</dc:creator>
          <dc:creator>Al-Khasawneh, K.</dc:creator>
          <dc:creator>Koll, Dominik</dc:creator>
          <dc:creator>Lachner, Johannes</dc:creator>
          <dc:creator>Merchel, Silke</dc:creator>
          <dc:creator>Pavetich, Stefan</dc:creator>
          <dc:creator>Reich, M.</dc:creator>
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          <dc:creator>Tims, S. G.</dc:creator>
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          <dc:description>Typical neutron energies for the astrophysical s-process follow the Maxwell-Boltzmann distribution in the keV energy range. Neutron capture cross sections highly relevant for modelling the s-process can be experimentally determined by using the Time-of-Flight (ToF) method [1] or by the activation technique. If the reaction product is a long-lived radionuclide (t1/2 ~ yr -100 Myr), the cross section can be determined by activation with a quasi-stellar neutron distribution (typically kT = 25 keV) and a subsequent accelerator mass spectrometry (AMS) measurement of the reaction product [2]. Comparison of a number of such neutron capture cross sections shows a systematic bias, i.e. AMS data being lower than the ToF data [3, 4].

To investigate this discrepancy, we repeated experiments for two reactions that allow for highly precise AMS data: Maxwellian-averaged cross sections for the reactions 54Fe(n,γ)55Fe and 35Cl(n,γ)36Cl were investigated with dedicated activations at the Frankfurt Neutron Source (FRANZ) in Germany [5] and AMS measurements at two independent facilities. Analogously to previous activations, a quasi-stellar neutron spectrum of kT = 25 keV was produced via the 7Li(p,n) reaction, but at a different neutron-producing facility. Furthermore, to complement existing ToF and AMS data, an additional neutron activation of 54Fe and 35Cl at a proton energy of 2 MeV was performed, yielding data in the not-yet explored kT = 90 keV region.

The irradiated metallic Fe foil and NaCl pellet (both of natural isotopic composition) were chemically processed and converted to AMS targets (Fe2O3 and AgCl) together with non-irradiated blanks. The subsequent AMS measurements of both radionuclides, 36Cl and 55Fe, were performed at two complementary AMS facilities, the Heavy Ion Accelerator Facility (HIAF) at the Australian National University [6] and at the Helmholtz-Zentrum Dresden-Rossendorf (HZDR) in Germany [7]. AMS allows a direct measurement of the 55Fe/54Fe and 36Cl/35Cl conversion ratios that result from the irradiation. The cross section is then deduced from the isotope ratio and the neutron fluence, which is determined using Au monitor foils.

The new experiment was designed to produce highly accurate data and, owing to the two independent AMS measurements, it minimizes unrecognized sources of uncertainties in the AMS technique. The new preliminary data obtained in this work seem to confirm the previous AMS results. Consequently, the systematic discrepancy between AMS and ToF data remains unresolved.

[1] Guber, K.H., et al., Phys. Rev. C 65, 058801 (2002).
[2] Györky, Gy., et al., Eur. Phys. J. A 55, 41 (2019).
[3] Capote, R., et al., Nucl. Data Sheets 163 (2020): 191.
[4] Slavkovská, Z., et al., EPJ Web Conf. Vol. 232, p.02005, EDP Sciences, 2020.
[5] Reifarth, R., et al., Publ. Astron. Soc. Aust. 26.3 (2009): 255.
[6] Fifield, L.K., et al. Nucl. Instr. Meth. B: 268 (2010): 858.
[7] Rugel, G., et al., Nucl. Instr. and Meth. in Phys. Res. B 370 (2016) 94.</dc:description>
          <dc:description>for RADIATE</dc:description>
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          <dc:rights>info:eu-repo/semantics/restrictedAccess</dc:rights>
          <dc:subject>AMS</dc:subject>
          <dc:title>Reaction cross sections 54Fe(n,γ)55Fe and 35Cl(n,γ)36Cl at keV neutron energies investigated by Accelerator Mass Spectrometry</dc:title>
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        <identifier>oai:rodare.hzdr.de:4648</identifier>
        <datestamp>2026-05-07T10:19:40Z</datestamp>
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          <dc:creator>Bloß, Christoph</dc:creator>
          <dc:creator>Techert, Gerda</dc:creator>
          <dc:date>2026-05-07</dc:date>
          <dc:description>Phage Surface Display Next-Generation Sequencing data of screenings for peptides with a high affinity for Europium(III) ions (Eu3+). The experiments involved conducting multiple biopanning experiments with the Ph.D.-12 Phage Display Peptide Library ((Ph.D.™-12 Phage Display Peptide Library Kit, New England Biolabs GmbH, Frankfurt am Main, Germany (NEB)), employing diverse elution methods.</dc:description>
          <dc:description>This research received funding from the German Federal Ministry of Education and Research (BMBF), Grand number  031B1348A, 3145129048, 031B1506 and 031B0828A; as well as supported by the project FINEST of the Investment and Networking Fund of the Helmholtz Association under grant agreement no. KA2-HSC-10.</dc:description>
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          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Phage Surface Display</dc:subject>
          <dc:subject>Next Generation Sequencing</dc:subject>
          <dc:subject>Computational Biology</dc:subject>
          <dc:subject>Data Evaluation</dc:subject>
          <dc:subject>Phage Library</dc:subject>
          <dc:subject>Peptide Library</dc:subject>
          <dc:subject>Bioinformatics</dc:subject>
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          <dc:title>Techert Dataset: Phage Surface Display Next-Generation Sequencing Data from Biopanning Experiments against Eu3+</dc:title>
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          <dc:creator>Stergiou, Y.</dc:creator>
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          <dc:creator>Schwarzenberger, K.</dc:creator>
          <dc:date>2021-03-31</dc:date>
          <dc:description>Hele-Shaw cells are a frequently used tool in various fields of chemical technology, and in environmental and biomedical engineering. The flow conditions near the inlet of a radial Hele-Shaw cell significantly affect the outcome of its technological applications. The present work combines Computational Fluid Dynamics (CFD) and micro-Particle Image Velocimetry (μPIV) to explain the entrance phenomena, i.e. flow detachment and vortex generation, in radial Hele-Shaw cells. The experiments show that the flow detachment is determined by the inlet flow Reynolds number, Re. Two-dimensional numerical simulations were employed to further investigate the role of the gap width, w to inlet diameter, D aspect ratio, w/D. The resulting flow regime map is divided by a transitional Re number, Ret, that depends on the aspect ratio. A further parametric study examining how Re and the aspect ratio affect the reattachment length yields an empirical correlation in power-law form. Finally, the impact of the inlet's geometrical features is briefly examined. The current work can be used as a design guide for future radial HS engineering applications.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/902</dc:identifier>
          <dc:identifier>10.14278/rodare.902</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:902</dc:identifier>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-32487</dc:relation>
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          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/closedAccess</dc:rights>
          <dc:subject>Hele-Shaw cell</dc:subject>
          <dc:subject>flow separation</dc:subject>
          <dc:subject>laminar flow</dc:subject>
          <dc:subject>reattachment length</dc:subject>
          <dc:subject>CFD</dc:subject>
          <dc:subject>μPIV</dc:subject>
          <dc:title>Data for: Entrance effects in a radial Hele-Shaw cell: numerical and experimental study</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
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    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:1950</identifier>
        <datestamp>2023-01-17T10:48:11Z</datestamp>
        <setSpec>software</setSpec>
        <setSpec>user-hzdr</setSpec>
        <setSpec>user-casus</setSpec>
        <setSpec>user-rodare</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Senapati, Abhishek</dc:creator>
          <dc:creator>Mertel, Adam</dc:creator>
          <dc:creator>Schlechte-Welnicz, Weronika</dc:creator>
          <dc:creator>Calabrese, Justin</dc:creator>
          <dc:date>2022-11-11</dc:date>
          <dc:description>Codes for reproducing the results in the research article "Estimating cross-border mobility from the difference in peak-timing: A case study in Poland-Germany border regions"</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/1950</dc:identifier>
          <dc:identifier>10.14278/rodare.1950</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:1950</dc:identifier>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-35427</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-35428</dc:relation>
          <dc:relation>doi:10.14278/rodare.1949</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/casus</dc:relation>
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          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Coupling strength</dc:subject>
          <dc:subject>Disease outbreak</dc:subject>
          <dc:subject>Spatio-temporal model</dc:subject>
          <dc:subject>Stochastic simulation</dc:subject>
          <dc:subject>Maximum likelihood estimation</dc:subject>
          <dc:title>Software publication: Estimating cross-border mobility from the difference in peak-timing: A case study in Poland-Germany border regions</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>software</dc:type>
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        <identifier>oai:rodare.hzdr.de:2674</identifier>
        <datestamp>2024-01-17T14:31:14Z</datestamp>
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          <dc:creator>Akhmetov, Fedor</dc:creator>
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          <dc:creator>Makhotkin, Igor A.</dc:creator>
          <dc:creator>Ackermann, Marcelo</dc:creator>
          <dc:creator>Vorberger, Jan</dc:creator>
          <dc:date>2024-01-17</dc:date>
          <dc:description>All input files and scripts to setup calculations in abinit. Also all output files that were used to generate the figures and tables.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/2674</dc:identifier>
          <dc:identifier>10.14278/rodare.2674</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:2674</dc:identifier>
          <dc:relation>doi:10.1103/PhysRevB.108.214301</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-38537</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-38532</dc:relation>
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          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>plasma</dc:subject>
          <dc:subject>warm dense matter</dc:subject>
          <dc:subject>laser matter interaction</dc:subject>
          <dc:subject>relaxation</dc:subject>
          <dc:subject>DFT</dc:subject>
          <dc:subject>energy transfer</dc:subject>
          <dc:subject>Eliashberg</dc:subject>
          <dc:subject>linear response</dc:subject>
          <dc:subject>Boltzmann</dc:subject>
          <dc:title>Data publication: Electron-phonon coupling in transition metals beyond Wang's approximation</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>other</dc:type>
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        <identifier>oai:rodare.hzdr.de:741</identifier>
        <datestamp>2021-01-12T13:40:36Z</datestamp>
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          <dc:creator>Smid, Michal</dc:creator>
          <dc:creator>Pan, Xiayun</dc:creator>
          <dc:creator>Falk, Katerina</dc:creator>
          <dc:date>2021-01-12</dc:date>
          <dc:description>This is a a newly developed ray tracing code called mmpxrt, dedicated to study and design x-ray crystal optics, with a special focus on mosaic crystal spectrometers. Its main advantage over other currently available ray tracing codes is that it includes detailed and benchmarked algorithm to treat mosaic crystals, especially HOPG and HAPG (Highly Oriented / Annealed Pyrolitic Graphite). The code is dedicated primarily to study crystal spectrometers, therefore their implementation is very straightforward, and the code has mostly automatic evaluation of their performance. It can, however, be used universally to study other crystal instruments, like monochromators, mirrors, and analyzers. The code is publicly available in HZDR's Gitlab, written in Python3 and is distributed as a Python library with test cases included.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/741</dc:identifier>
          <dc:identifier>10.14278/rodare.741</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:741</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-30433</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-29826</dc:relation>
          <dc:relation>doi:10.14278/rodare.740</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>mosaic crystal</dc:subject>
          <dc:subject>x-ray spectroscopy</dc:subject>
          <dc:subject>ray tracing</dc:subject>
          <dc:subject>Python3</dc:subject>
          <dc:title>Mmpxrt; X-ray spectrometer simulation code with a detailed support of mosaic crystals.</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>software</dc:type>
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    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:1340</identifier>
        <datestamp>2021-12-20T08:57:04Z</datestamp>
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          <dc:creator>Moldabekov, Zhandos</dc:creator>
          <dc:creator>Aldakul, Y. K.</dc:creator>
          <dc:creator>Bastykova, N. K.</dc:creator>
          <dc:creator>Sundar, S.</dc:creator>
          <dc:creator>Cangi, Attila</dc:creator>
          <dc:date>2021-12-17</dc:date>
          <dc:description>The data for the spectrum of the density fluctuations from MD simulations</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/1340</dc:identifier>
          <dc:identifier>10.14278/rodare.1340</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:1340</dc:identifier>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-33453</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-33724</dc:relation>
          <dc:relation>doi:10.14278/rodare.1339</dc:relation>
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          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>plasma physics</dc:subject>
          <dc:subject>strongly correlated plasmas</dc:subject>
          <dc:subject>complex plasmas</dc:subject>
          <dc:title>Data publication: Higher harmonics in complex plasmas with alternating screening</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
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        <identifier>oai:rodare.hzdr.de:1129</identifier>
        <datestamp>2026-02-27T10:10:01Z</datestamp>
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          <dc:creator>Krause, Mechthild</dc:creator>
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          <dc:creator>Masood, Umar</dc:creator>
          <dc:creator>Meister, Sebastian</dc:creator>
          <dc:creator>Metzkes-Ng, Josefine</dc:creator>
          <dc:creator>Nossula, Alexej</dc:creator>
          <dc:creator>Pawelke, Jörg</dc:creator>
          <dc:creator>Pietzsch, Jens</dc:creator>
          <dc:creator>Püschel, Thomas</dc:creator>
          <dc:creator>Reimold, Marvin</dc:creator>
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          <dc:description>Source data for all figures of publication: "Tumor irradiation in mice with a laser-accelerated proton beam". Folder structure according to figures.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/1129</dc:identifier>
          <dc:identifier>10.14278/rodare.1129</dc:identifier>
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          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Laser acceleration</dc:subject>
          <dc:subject>TNSA</dc:subject>
          <dc:subject>Radiobiology</dc:subject>
          <dc:subject>FLASH</dc:subject>
          <dc:title>Source Data: Tumour irradiation in mice with a laser-accelerated proton beam (Open Access)</dc:title>
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          <dc:type>dataset</dc:type>
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      <header>
        <identifier>oai:rodare.hzdr.de:1476</identifier>
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          <dc:creator>Bernert, Constantin</dc:creator>
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          <dc:creator>Gaus, Lennart</dc:creator>
          <dc:creator>Gebhardt, René</dc:creator>
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          <dc:creator>Kluge, Thomas</dc:creator>
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          <dc:creator>Meister, Sebastian</dc:creator>
          <dc:creator>Metzkes-Ng, Josefine</dc:creator>
          <dc:creator>Nossula, Alexej</dc:creator>
          <dc:creator>Pawelke, Jörg</dc:creator>
          <dc:creator>Pietzsch, Jens</dc:creator>
          <dc:creator>Püschel, Thomas</dc:creator>
          <dc:creator>Reimold, Marvin</dc:creator>
          <dc:creator>Rehwald, Martin</dc:creator>
          <dc:creator>Richter, Christian</dc:creator>
          <dc:creator>Schlenvoigt, Hans-Peter</dc:creator>
          <dc:creator>Schramm, Ulrich</dc:creator>
          <dc:creator>Umlandt, Marvin Elias Paul</dc:creator>
          <dc:creator>Ziegler, Tim</dc:creator>
          <dc:creator>Zeil, Karl</dc:creator>
          <dc:creator>Beyreuther, Elke</dc:creator>
          <dc:date>2022-03-11</dc:date>
          <dc:description>Source data for all figures of publication: "Tumor irradiation in mice with a laser-accelerated proton beam". The folder structure is adapted to match the figures in the publication.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/1476</dc:identifier>
          <dc:identifier>10.14278/rodare.1476</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:1476</dc:identifier>
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          <dc:relation>url:https://www.hzdr.de/publications/Publ-33048</dc:relation>
          <dc:relation>doi:10.1038/s41567-022-01520-3</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-33047</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-33044</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-35835</dc:relation>
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          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Laser acceleration</dc:subject>
          <dc:subject>TNSA</dc:subject>
          <dc:subject>Radiobiology</dc:subject>
          <dc:subject>FLASH</dc:subject>
          <dc:title>Source Data: Tumour irradiation in mice with a laser-accelerated proton beam (Open Access)</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
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    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:138</identifier>
        <datestamp>2024-08-14T11:26:45Z</datestamp>
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        <setSpec>user-hzdr</setSpec>
        <setSpec>user-fwd</setSpec>
        <setSpec>user-rodare</setSpec>
        <setSpec>user-topflow</setSpec>
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      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:contributor>Neumann-Kipping, Martin</dc:contributor>
          <dc:contributor>Hampel, Uwe</dc:contributor>
          <dc:contributor>Bieberle, André</dc:contributor>
          <dc:creator>Neumann-Kipping, Martin</dc:creator>
          <dc:creator>Hampel, Uwe</dc:creator>
          <dc:date>2019-08-01</dc:date>
          <dc:description>For the investigation of bubbly two-phase flow, which should serve as a future benchmark experiment for CFD code validation, an experimental study has been conducted at the Transient Two-Phase Flow (TOPFLOW) facility at Helmholtz-Zentrum Dresden – Rossendorf (HZDR) using ultrafast electron beam X-ray tomography (UFXRAY). In this study, flow constrictions were installed into a DN50 pipe to create a generic three-dimensional flow field as an advanced test case for CFD codes. UFXRAY CT scans were performed in dual-imaging mode and 9 imaging planes for 15 s with a temporal resolution of 1.0 kHz and 2.5 kHz to provide valuable data of the gas phase dynamics.

The provided data set contains tomographic image data for the experimental series L30 that uses a semi-circular flow constriction with a blockage ratio of 0.5. Here, all image stacks for a given operating point are stored in a single HDF5 file with a spatial resolution of 0.5 mm/pixel (Images are stacked as time series). Further attributes (e.g. reconstruction parameters) are available for each image stack and are accessible e.g. using Matlab or Octave. The relative distance of the each respective scanning position is defined in an additional info.txt. </dc:description>
          <dc:description>This work is funded by the German Federal Ministry for Economic Affairs and Energy (BMWi) with the grant number 1501481 on the basis of a decision by the German Bundestag.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/138</dc:identifier>
          <dc:identifier>10.14278/rodare.138</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:138</dc:identifier>
          <dc:language>eng</dc:language>
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          <dc:relation>doi:10.14278/rodare.124</dc:relation>
          <dc:relation>doi:10.14278/rodare.139</dc:relation>
          <dc:relation>doi:10.14278/rodare.197</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-29885</dc:relation>
          <dc:relation>doi:10.14278/rodare.137</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/fwd</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/hzdr</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/topflow</dc:relation>
          <dc:rights>info:eu-repo/semantics/restrictedAccess</dc:rights>
          <dc:subject>ultrafast X-ray computed tomography</dc:subject>
          <dc:subject>bubbly two-phase flow</dc:subject>
          <dc:subject>three-dimensional flow field</dc:subject>
          <dc:subject>two-phase pipe flow</dc:subject>
          <dc:subject>tomographic image data</dc:subject>
          <dc:title>Ultrafast X-ray tomography image data of bubbly two-phase pipe flow around a semi-circular constriction</dc:title>
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        <identifier>oai:rodare.hzdr.de:3757</identifier>
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          <dc:description>The process waters generated during the recycling of spent batteries are an important source of various metals such as Al, Li, Mn, Ni, and Co. Despite low metal concentrations, this stream is a promising secondary source of these critical metals. In this work, the recovery of metal ions from battery recycling process waters by the bioionflotation process was investigated with rhamnolipid as a flotation reagent. In this context, the metal binding affinity of rhamnolipid was investigated by means of surface tension analysis, isothermal titration calorimetry (ITC), and zeta potential analysis. The values obtained for the dynamic surface tension analysis and the binding constant from ITC are relatable and considered in relation to the metal binding affinity of rhamnolipids, demonstrating the affinity order is as Al(III) &gt; Mn(II) &gt; Ni(II) &gt; Co(II) &gt;Li(I). Our findings reveal a rhamnolipid metal interaction and support a surface tension-based approach to predict the metal affinity, thus providing important fundamental information. The bioionflotation results showed an effective recovery of 91% for Al(III) at pH 8 and 0.85 mM rhamnolipid concentration. Hence, the bioionflotation approach offers an eco-friendly way to selectively recover metals from battery process water, contributing to sustainable resource management and reducing environmental impact.</dc:description>
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          <dc:subject>water recovery</dc:subject>
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        <identifier>oai:rodare.hzdr.de:211</identifier>
        <datestamp>2021-11-02T19:03:28Z</datestamp>
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          <dc:description>In this study the complexation of U(VI) with orthosilicic acid (H4SiO4) between pH 3.5 and 5 with electrospray ionization mass spectrometry (ESI‒MS) and laser‒induced luminescence spectroscopy was comprehensively characterized. The ESI‒MS experiments performed at a total silicon concentration of 5∙10‒5 M (exceeding the solubility of amorphous silica at both pH‒values) revealed the formation of oligomeric sodium‒silicates in addition to the UO2OSi(OH)3+ species. For the luminescence spectroscopic experiments (25 °C), the U(VI) concentration was fixed at 5∙10‒6 M, the silicon concentration was varied between 1.3∙10‒4 ‒ 1.3∙10‒3 M (reducing the formation of silicon oligomers) and the ionic strength was kept constant at 0.2 M NaClO4. The results confirmed the formation of the aqueous UO2OSi(OH)3+ complex. The conditional complexation constant at 25 °C, log *β = ‒0.31± 0.24, was extrapolated to infinite dilution using the Davies equation, which led to log *β0 = ‒0.06 ± 0.24. Further experiments at different temperatures (1 – 25 °C) allowed the calculation of the molal enthalpy of reaction ΔrHm0 = 45.8 ± 22.5 kJ∙mol‒1 and molal entropy of reaction ΔrSm0 = 152.5 ± 78.8 J∙K‒1∙mol‒1 using the van’t Hoff equation, corroborating an endothermic and entropy driven complexation process.</dc:description>
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          <dc:subject>luminescence</dc:subject>
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          <dc:subject>thermodynamic constants</dc:subject>
          <dc:subject>temperature dependent</dc:subject>
          <dc:title>Temperature‒dependent luminescence spectroscopic and mass spectrometric investigations of U(VI) complexation with aqueous silicates in the acidic pH‒range</dc:title>
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        <identifier>oai:rodare.hzdr.de:4754</identifier>
        <datestamp>2026-07-01T18:02:19Z</datestamp>
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        <identifier>oai:rodare.hzdr.de:514</identifier>
        <datestamp>2024-08-13T12:20:54Z</datestamp>
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          <dc:title>Chronic Inflammation Prediction for Inhaled Particles, the Impact of Material Cycling and Quarantining in the Lung Epithelium</dc:title>
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        <identifier>oai:rodare.hzdr.de:2989</identifier>
        <datestamp>2026-02-27T10:10:01Z</datestamp>
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          <dc:creator>Papapetrou, Theodoros Nestor</dc:creator>
          <dc:creator>Bieberle, Martina</dc:creator>
          <dc:creator>Barthel, Frank</dc:creator>
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          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>granular mixing</dc:subject>
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          <dc:subject>ultrafast X-ray computed tomography</dc:subject>
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        <datestamp>2022-06-01T06:10:11Z</datestamp>
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          <dc:creator>Körber, Lukas</dc:creator>
          <dc:creator>Kézsmárki, István</dc:creator>
          <dc:creator>Kakay, Attila</dc:creator>
          <dc:date>2022-05-31</dc:date>
          <dc:description>This data set contains the numerical raw data for "Mode splitting of spin waves in magnetic nanotubes with discrete symmetries" published in Physical Review B. The data has been obtained using our in-house developed finite-element dynamic-matrix approach for propagating spin waves [see AIP Advances 11, 095006 (2021) for details]. 


	The folder high-res-only-k0/ contains the lateral mode profiles and frequencies of polygonal nanotubes with different number of corners at k = 0. It also contains a python script used to calculate the microwave absorption from the mode profiles.
	The folders poly_*/ contain only the dispersion without lateral mode profiles for the different polygonal tubes as well as a round nanotube
	All folders contain the geometry and mesh files as well as sparam and eparam yaml files containg the material parameters and experimental parameters, respectively. The equilibrium states are saved as m_eq.h5 hdf5 files.
</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/1651</dc:identifier>
          <dc:identifier>10.14278/rodare.1651</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:1651</dc:identifier>
          <dc:relation>doi:10.1063/5.0054169</dc:relation>
          <dc:relation>doi:10.1103/PhysRevB.105.184435</dc:relation>
          <dc:relation>doi:10.48550/arXiv.2202.06601</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-34719</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-34728</dc:relation>
          <dc:relation>doi:10.14278/rodare.1650</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Spin wave</dc:subject>
          <dc:subject>magnon</dc:subject>
          <dc:subject>micromagnetic modeling</dc:subject>
          <dc:subject>symmetry</dc:subject>
          <dc:subject>nanotubes</dc:subject>
          <dc:subject>group theory</dc:subject>
          <dc:subject>micromagnetism</dc:subject>
          <dc:subject>tetrax</dc:subject>
          <dc:title>Data publication: Mode splitting of spin waves in magnetic nanotubes with discrete symmetries</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
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        <identifier>oai:rodare.hzdr.de:1491</identifier>
        <datestamp>2022-03-25T07:27:28Z</datestamp>
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          <dc:creator>Podlipec, Rok</dc:creator>
          <dc:creator>Sedmak, Ivan</dc:creator>
          <dc:date>2022-03-02</dc:date>
          <dc:description>Dataset of glass-ceramic temperature-dependent fluorescence emission used for the calibration of the time measurements of spatially resolved temperature distribution in rare-earth-doped glass-ceramic materials for the studies of thermal processes within optically transparent materials.   </dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/1491</dc:identifier>
          <dc:identifier>10.14278/rodare.1491</dc:identifier>
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          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
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          <dc:title>Dataset: spatially resolved temperature distribution in a rare-earth-doped transparent glass-ceramic</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
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          <dc:creator>Günther, Ulrik</dc:creator>
          <dc:creator>Harrington, Kyle</dc:creator>
          <dc:date>2021-02-07</dc:date>
          <dc:description>This is the video recording of the talk.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/1373</dc:identifier>
          <dc:identifier>10.14278/rodare.1373</dc:identifier>
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          <dc:relation>url:https://www.hzdr.de/publications/Publ-33910</dc:relation>
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          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
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          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>visualisation</dc:subject>
          <dc:subject>rendering</dc:subject>
          <dc:subject>kotlin</dc:subject>
          <dc:subject>java</dc:subject>
          <dc:subject>jvm</dc:subject>
          <dc:title>Data publication: Realtime 3D graphics and VR with Kotlin and Vulkan</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>video</dc:type>
        </oai_dc:dc>
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          <dc:date>2026-07-17</dc:date>
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          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://opensource.org/licenses/GPL-3.0</dc:rights>
          <dc:title>Data publication: Numerical simulation of mass transfer enhancement in liquid metal batteries by means of electro-vortex flow</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>software</dc:type>
        </oai_dc:dc>
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    <record>
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        <identifier>oai:rodare.hzdr.de:998</identifier>
        <datestamp>2021-06-01T06:08:28Z</datestamp>
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          <dc:creator>Li, Jiang</dc:creator>
          <dc:creator>Rana, Rakesh</dc:creator>
          <dc:creator>Zhu, Liguo</dc:creator>
          <dc:creator>Liu, Cangli</dc:creator>
          <dc:creator>Schneider, Harald</dc:creator>
          <dc:creator>Pashkin, Oleksiy</dc:creator>
          <dc:date>2021-05-31</dc:date>
          <dc:description>- Raw experimental data of the measured THz and OPA spectra

- Origin file with the experimentally measured THz conversion efficienbcy as a function of the OPA fluence

- Matlab program for the simulation of the THz generation process in DSTMS</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/998</dc:identifier>
          <dc:identifier>10.14278/rodare.998</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:998</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-32684</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-32670</dc:relation>
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          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/restrictedAccess</dc:rights>
          <dc:title>Dataset and simulation program for "Limitation of THz conversion efficiency in DSTMS pumped by intense femtosecond pulses"</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
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      <header>
        <identifier>oai:rodare.hzdr.de:4596</identifier>
        <datestamp>2026-07-29T14:40:32Z</datestamp>
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      <metadata>
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          <dc:creator>Tahmasbi, Hossein</dc:creator>
          <dc:creator>Knüpfer, Andreas</dc:creator>
          <dc:creator>Kühne, Thomas Dae-Song</dc:creator>
          <dc:creator>Mir Hosseini, Seyed Hossein</dc:creator>
          <dc:date>2026-04-09</dc:date>
          <dc:description>Reference data and scripts generated for the "Benchmarking Universal Machine Learning Interatomic&#13;
Potentials on Elemental Systems" manuscript.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/4596</dc:identifier>
          <dc:identifier>10.14278/rodare.4596</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:4596</dc:identifier>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-43234</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-43706</dc:relation>
          <dc:relation>doi:10.14278/rodare.4595</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/matter</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:title>Data publication: Benchmarking Universal Machine Learning Interatomic Potentials on Elemental Systems</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
      </metadata>
    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:1993</identifier>
        <datestamp>2024-02-22T15:29:22Z</datestamp>
        <setSpec>openaire_data</setSpec>
        <setSpec>user-rodare</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Roy, Mousumi</dc:creator>
          <dc:creator>Senapati, Abhishek</dc:creator>
          <dc:creator>Poria, Swarup</dc:creator>
          <dc:creator>Mishra, Arindam</dc:creator>
          <dc:creator>Hens, Chittaranjan</dc:creator>
          <dc:date>2023-02-17</dc:date>
          <dc:description>Code for reproducing results of the paper "Role of assortativity in predicting burst synchronization using echo state network"</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/1993</dc:identifier>
          <dc:identifier>10.14278/rodare.1993</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:1993</dc:identifier>
          <dc:relation>doi:10.1103/PhysRevE.105.064205</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-35660</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-35659</dc:relation>
          <dc:relation>doi:10.14278/rodare.1992</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Echo State Network</dc:subject>
          <dc:subject>Assortativity</dc:subject>
          <dc:subject>Complex network</dc:subject>
          <dc:subject>Synchronization</dc:subject>
          <dc:title>Data publication: Role of assortativity in predicting burst synchronization using echo state network</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
      </metadata>
    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:803</identifier>
        <datestamp>2021-02-11T09:25:37Z</datestamp>
        <setSpec>openaire_data</setSpec>
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      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Javadi, Aliyar</dc:creator>
          <dc:date>2021-02-08</dc:date>
          <dc:description>Experimental data file for Paper on "Drop Size Dependence of the Apparent Surface Tension of Aqueous Solutions in Hexane Vapor as Studied by Drop Profile Analysis Tensiometry".

These data are measured dynamic surface tension and variations of deviations from Young Laplace fitting, of different drop size of surfactants solution Tridecyl dimethyl phosphine oxide C13DMPO and Oxyethylated alcohol С14ЕО8 in water against air and hexane vapor. </dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/803</dc:identifier>
          <dc:identifier>10.14278/rodare.803</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:803</dc:identifier>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-32273</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-32205</dc:relation>
          <dc:relation>doi:10.14278/rodare.802</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/closedAccess</dc:rights>
          <dc:title>Data File for Drop Size Dependence of the Apparent Surface Tension of Aqueous Solutions in Hexane Vapor</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
      </metadata>
    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:57</identifier>
        <datestamp>2020-04-23T07:51:11Z</datestamp>
        <setSpec>openaire_data</setSpec>
        <setSpec>openaire_data</setSpec>
        <setSpec>user-ecfunded</setSpec>
        <setSpec>user-rodare</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Hübl, Axel</dc:creator>
          <dc:date>2018-09-19</dc:date>
          <dc:description>Quite outdated data but used in openPMD-api unit tests.

HDF5 data contains particle patches, ADIOS1 data does not. Uploading it here for reference, as a download point and for test reproducibility.</dc:description>
          <dc:description>Please use the more recent example data sets from https://github.com/openPMD/openPMD-example-datasets</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/57</dc:identifier>
          <dc:identifier>10.14278/rodare.57</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:57</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>info:eu-repo/grantAgreement/EC/H2020/654220/</dc:relation>
          <dc:relation>doi:10.5281/zenodo.591699</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-27948</dc:relation>
          <dc:relation>doi:10.14278/rodare.56</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/ecfunded</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>openPMD</dc:subject>
          <dc:subject>example data</dc:subject>
          <dc:title>openPMD Example Data Sets from PIConGPU 0.2.0</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
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    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:2811</identifier>
        <datestamp>2025-02-19T08:19:34Z</datestamp>
        <setSpec>software</setSpec>
        <setSpec>user-energy</setSpec>
        <setSpec>user-fwd</setSpec>
        <setSpec>user-rodare</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Hessenkemper, Hendrik</dc:creator>
          <dc:creator>Wang, Lantian</dc:creator>
          <dc:creator>Lucas, Dirk</dc:creator>
          <dc:creator>Shiyong, Tan</dc:creator>
          <dc:creator>Rui, Ni</dc:creator>
          <dc:creator>Ma, Tian</dc:creator>
          <dc:date>2024-04-17</dc:date>
          <dc:description>Software for 3D tracking of deformable bubbles in swarms</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/2811</dc:identifier>
          <dc:identifier>10.14278/rodare.2811</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:2811</dc:identifier>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-38982</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-38980</dc:relation>
          <dc:relation>doi:10.14278/rodare.2810</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/energy</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/fwd</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>3D Lagrangian bubble tracking</dc:subject>
          <dc:subject>Bubble swarms</dc:subject>
          <dc:subject>Deformable bubbles</dc:subject>
          <dc:subject>Deep learning</dc:subject>
          <dc:title>Software publication: 3D detection and tracking of deformable bubbles in swarms with the aid of deep learning models</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>software</dc:type>
        </oai_dc:dc>
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    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:1191</identifier>
        <datestamp>2021-11-02T19:06:49Z</datestamp>
        <setSpec>user-rodare</setSpec>
      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Demnitz, Maximilian</dc:creator>
          <dc:creator>Molodtsov, Konrad</dc:creator>
          <dc:creator>Schymura, Stefan</dc:creator>
          <dc:creator>Schierz, Ariette</dc:creator>
          <dc:creator>Müller, Katharina</dc:creator>
          <dc:creator>Jankovsky, Filip</dc:creator>
          <dc:creator>Havlova, Vaclava</dc:creator>
          <dc:creator>Stumpf, Thorsten</dc:creator>
          <dc:creator>Schmidt, Moritz</dc:creator>
          <dc:date>2021-09-21</dc:date>
          <dc:description>In the following we have compiled the data used in publication (mappings, taken pictures and measurements) as well as the used python scripts.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/1191</dc:identifier>
          <dc:identifier>10.14278/rodare.1191</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:1191</dc:identifier>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-32811</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-33137</dc:relation>
          <dc:relation>doi:10.14278/rodare.1190</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>curium</dc:subject>
          <dc:subject>luminescence</dc:subject>
          <dc:subject>crystalline rock</dc:subject>
          <dc:subject>granite</dc:subject>
          <dc:subject>sorption</dc:subject>
          <dc:subject>correlative spectroscopy</dc:subject>
          <dc:title>Data publication: Effects of surface roughness and mineralogy on the sorption of Cm(III) on crystalline rock</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>other</dc:type>
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    <record>
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        <identifier>oai:rodare.hzdr.de:1807</identifier>
        <datestamp>2022-07-13T12:12:16Z</datestamp>
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          <dc:creator>Dornheim, Tobias</dc:creator>
          <dc:creator>Böhme, Maximilian</dc:creator>
          <dc:creator>Moldabekov, Zhandos</dc:creator>
          <dc:date>2022-07-13</dc:date>
          <dc:description>This repository contains the PIMC raw data for the static electronic density response of warm dense hydrogen. Units etc are the same as in the figures in the main text / supplemental material.</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/1807</dc:identifier>
          <dc:identifier>10.14278/rodare.1807</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:1807</dc:identifier>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-34419</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-34919</dc:relation>
          <dc:relation>doi:10.14278/rodare.1806</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:title>Data publication: Electronic Density Response of Warm Dense Hydrogen: Ab initio Path Integral Monte Carlo Simulations</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
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    <record>
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        <identifier>oai:rodare.hzdr.de:1282</identifier>
        <datestamp>2021-11-30T07:46:51Z</datestamp>
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          <dc:creator>Wodtke, Robert</dc:creator>
          <dc:creator>Löser, Reik</dc:creator>
          <dc:date>2021-11-29</dc:date>
          <dc:description>radio-TLC, radio-HPLC, radio-SDS, in vitro autoradiography</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/1282</dc:identifier>
          <dc:identifier>10.14278/rodare.1282</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:1282</dc:identifier>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-33487</dc:relation>
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          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/closedAccess</dc:rights>
          <dc:title>Data to 18F-AW09</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
      </metadata>
    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:990</identifier>
        <datestamp>2024-08-13T12:13:03Z</datestamp>
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        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Singh, Abhishek</dc:creator>
          <dc:creator>Li, Jiang</dc:creator>
          <dc:creator>Pashkin, Oleksiy</dc:creator>
          <dc:creator>Rana, Rakesh</dc:creator>
          <dc:creator>Winnerl, Stephan</dc:creator>
          <dc:creator>Helm, Manfred</dc:creator>
          <dc:creator>Schneider, Harald</dc:creator>
          <dc:date>2021-05-21</dc:date>
          <dc:description>This is the raw data related to the publication "High-field THz pulses from a GaAs photoconductive emitter for non-linear THz studies".


	The file "THzPowerMeasurement.xlsx" is manually noted THz power reading from the locking. It is used for Figs. 2(a&amp;b).
	The file "005-PCA-60V_100mW.thz" is the THz time-domain data corresponding to Fig2 (c).  
	The files "017******* to 027**********" are data corresponding to Figs 3(a&amp;b). Plots in Figs. 4(b-d) are also calculated from these data files.
	The files "003-PCA-1mm.thz", "004-PCA-withoutAperture.thz", and "005-PCA-1point2mm.thz" are data used for THz spot diameter calculation.
</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/990</dc:identifier>
          <dc:identifier>10.14278/rodare.990</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:990</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>doi:10.17815/jlsrf-3-159</dc:relation>
          <dc:relation>doi:10.1364/OE.427247</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-32657</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-32614</dc:relation>
          <dc:relation>doi:10.14278/rodare.989</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/fwi</dc:relation>
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          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Terahertz emitter</dc:subject>
          <dc:subject>Photoconductive THz emitter</dc:subject>
          <dc:subject>Nonlinear THz effects</dc:subject>
          <dc:title>High-field THz pulses from a GaAs photoconductive emitter for non-linear THz studies</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
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    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:3060</identifier>
        <datestamp>2024-09-04T08:17:36Z</datestamp>
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          <dc:creator>Hong, Boseok</dc:creator>
          <dc:creator>Näder, Adrian</dc:creator>
          <dc:creator>Sawallisch, Till Erik</dc:creator>
          <dc:creator>Bode, Tobias</dc:creator>
          <dc:creator>Fichter, Sebastian</dc:creator>
          <dc:creator>Gericke, Robert</dc:creator>
          <dc:creator>Kaden, Peter</dc:creator>
          <dc:creator>Patzschke, Michael</dc:creator>
          <dc:creator>Stumpf, Thorsten</dc:creator>
          <dc:creator>Schmidt, Moritz</dc:creator>
          <dc:creator>März, Juliane</dc:creator>
          <dc:date>2024-07-18</dc:date>
          <dc:description>Structural and QC data for all compounds described in the manuscript "Structure, covalency, and paramagnetism of homoleptic actinide and lanthanide amidinate complex"</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/3060</dc:identifier>
          <dc:identifier>10.14278/rodare.3060</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:3060</dc:identifier>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-39343</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-39342</dc:relation>
          <dc:relation>doi:10.14278/rodare.3059</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/energy</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/fwo</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Actinides</dc:subject>
          <dc:subject>Coordination chemistry</dc:subject>
          <dc:subject>Quantum chemistry</dc:subject>
          <dc:subject>DFT</dc:subject>
          <dc:subject>CASSCF</dc:subject>
          <dc:title>Data publication: Structure, covalency, and paramagnetism of homoleptic actinide and lanthanide amidinate complex</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
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    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:1929</identifier>
        <datestamp>2022-11-08T09:23:32Z</datestamp>
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      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Meng, Fanqi</dc:creator>
          <dc:creator>Han, Feifan</dc:creator>
          <dc:creator>Kentsch, Ulrich</dc:creator>
          <dc:creator>Pashkin, Oleksiy</dc:creator>
          <dc:creator>Fowley, Ciaran</dc:creator>
          <dc:creator>Rebohle, Lars</dc:creator>
          <dc:creator>Thomson, Mark D.</dc:creator>
          <dc:creator>Suzuki, Safumi</dc:creator>
          <dc:creator>Asada, Masahiro</dc:creator>
          <dc:creator>Roskos, Hartmut G.</dc:creator>
          <dc:date>2022-11-01</dc:date>
          <dc:description>FTIR transmission spectra of the samples at various temperatures</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/1929</dc:identifier>
          <dc:identifier>10.14278/rodare.1929</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:1929</dc:identifier>
          <dc:relation>doi:10.1364/OL.466392</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-35354</dc:relation>
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          <dc:relation>doi:10.14278/rodare.1928</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/restrictedAccess</dc:rights>
          <dc:title>Data publication: Coherent coupling of metamaterial resonators with dipole transitions of boron acceptors in Si</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
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    </record>
    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:3617</identifier>
        <datestamp>2025-04-01T09:04:17Z</datestamp>
        <setSpec>openaire_data</setSpec>
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        <setSpec>user-hzdr</setSpec>
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        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Bashkatov, Aleksandr</dc:creator>
          <dc:creator>Bürkle, Florian</dc:creator>
          <dc:creator>Demirkır, Çayan</dc:creator>
          <dc:creator>Ding, Wei</dc:creator>
          <dc:creator>Sanjay, Vatsal</dc:creator>
          <dc:creator>Babich, Alexander</dc:creator>
          <dc:creator>Yang, Xuegeng</dc:creator>
          <dc:creator>Mutschke, Gerd</dc:creator>
          <dc:creator>Czarske, Jürgen</dc:creator>
          <dc:creator>Lohse, Detlef</dc:creator>
          <dc:creator>Krug, Dominik</dc:creator>
          <dc:creator>Büttner, Lars</dc:creator>
          <dc:creator>Eckert, Kerstin</dc:creator>
          <dc:date>2025-03-07</dc:date>
          <dc:description>Description of Data availability.zip:

The archive contains raw data necessary for reproducing all figures presented in the manuscript submitted as Electrolyte spraying within H2 bubbles during water electrolysis (also available as a pre-print at https://doi.org/10.48550/arXiv.2409.00515). Each folder within the archive includes a readme file detailing data included (e.g. images, electrochemical data, or velocity fields).</dc:description>
          <dc:description>This research received funding from the German Space Agency (DLR), with funds provided by the Federal Ministry of Economics and Technology (BMWi) due to an enactment of the German Bundestag under Grant No. DLR 50WM2352 (project MADAGAS III), H2Giga (BMBF, 03HY123E), from the Hydrogen Lab of the School of Engineering of TU Dresden, from the Advanced Research Center Chemical Building Blocks Consortium (ARC CBBC), under the project of New Chemistry for a Sustainable Future (project number 2021.038.C.UT.14) and partially from the German Research Foundation (DFG, project number 459505672).</dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/3617</dc:identifier>
          <dc:identifier>10.14278/rodare.3617</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:3617</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>doi:10.48550/arXiv.2409.00515</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-41084</dc:relation>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-41170</dc:relation>
          <dc:relation>doi:10.14278/rodare.3616</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/energy</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/fwd</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/hzdr</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>raw data</dc:subject>
          <dc:subject>electrolysis</dc:subject>
          <dc:subject>bubble dynamics</dc:subject>
          <dc:subject>hydrogen</dc:subject>
          <dc:subject>Worthington jet</dc:subject>
          <dc:subject>droplets injection</dc:subject>
          <dc:subject>end-pinching</dc:subject>
          <dc:subject>Marangoni effect</dc:subject>
          <dc:subject>internal flow</dc:subject>
          <dc:subject>electrolyte spraying</dc:subject>
          <dc:subject>hydrogen evolution reaction</dc:subject>
          <dc:title>Data publication: Electrolyte spraying within H2 bubbles during water electrolysis</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
        </oai_dc:dc>
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    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:5034</identifier>
        <datestamp>2026-09-24T09:11:45Z</datestamp>
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      </header>
      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Svensson, Pontus</dc:creator>
          <dc:creator>Vorberger, Jan</dc:creator>
          <dc:creator>Moldabekov, Zhandos</dc:creator>
          <dc:creator>Tolias, Panagiotis</dc:creator>
          <dc:creator>Hamann, Paul</dc:creator>
          <dc:creator>Shao, Xuecheng</dc:creator>
          <dc:creator>Ma, Cheng</dc:creator>
          <dc:creator>Dornheim, Tobias</dc:creator>
          <dc:date>2026-09-23</dc:date>
          <dc:description>DFT data and PIMC data used to compute reference data for the ideal quadratic response functions in "The quadratic density response function for non-interacting fermions at arbitrary temperature". </dc:description>
          <dc:identifier>https://rodare.hzdr.de/record/5034</dc:identifier>
          <dc:identifier>10.14278/rodare.5034</dc:identifier>
          <dc:identifier>oai:rodare.hzdr.de:5034</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:relation>url:https://www.hzdr.de/publications/Publ-43979</dc:relation>
          <dc:relation>doi:10.14278/rodare.5033</dc:relation>
          <dc:relation>url:https://rodare.hzdr.de/communities/rodare</dc:relation>
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          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>Nonlinear response</dc:subject>
          <dc:subject>Uniform electron gas</dc:subject>
          <dc:title>Data publication: The quadratic density response function for non-interacting fermions at arbitrary temperature</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
          <dc:type>dataset</dc:type>
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    <record>
      <header>
        <identifier>oai:rodare.hzdr.de:2485</identifier>
        <datestamp>2024-10-24T14:57:49Z</datestamp>
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        <setSpec>user-hzdr</setSpec>
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      <metadata>
        <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
          <dc:creator>Fiedler, Lenz</dc:creator>
          <dc:creator>Modine, Normand A.</dc:creator>
          <dc:creator>Thompson, Aidan P.</dc:creator>
          <dc:creator>Cangi, Attila</dc:creator>
          <dc:creator>Rajamanickam, Siva</dc:creator>
          <dc:date>2021-07-08</dc:date>
          <dc:description># Aluminium data set for Machine Learning applications&#13;
&#13;
This dataset contains DFT inputs, outputs, LDOS data and bispectrum descriptor vectors for an aluminium cell of 256 atoms at varying temperatures and ambient mass density. All simulations that include the LDOS have been performed at an LDOS converged k-grid of 8x8x8 k-points. Calculations which do not inlcude the LDOS have been performed at a total free energy converged k-grid of 4x4x4 k-points (i.e., the total free energy has been converged to 1 meV/atom accuracy).&#13;
&#13;
For each temperature, a .zip file is included in this data set. All .zip files are structured in the same way. For the two largest temperatures, the zip files have been split into smaller portions for easier download; please note that you still have to download all parts of the zip file locally and re-assemble it via the zip command line utility.&#13;
&#13;
Temperature here primarily refers to electronic temperature. However, in almost all cases, the ionic temperature is the same as the electronic temperature. The few cases where this does not hold true are detailed in the individual .zip files by a "different_ionic_temperatures.md" file. If no such file is present in .zip file, then all calculations have been performed at matching electronic and ionic temperatures.&#13;
&#13;
## Authors:&#13;
&#13;
- Fiedler, Lenz (HZDR / CASUS)&#13;
- Cangi, Attila (HZDR / CASUS)&#13;
- Modine, Normand A. (SNL)&#13;
- Thompson, Aidan P. (SNL)&#13;
- Rajamanickam, Siva (SNL)&#13;
&#13;
Affiliations:&#13;
&#13;
HZDR - Helmholtz-Zentrum Dresden-Rossendorf&#13;
&#13;
CASUS - Center for Advanced Systems Understanding&#13;
&#13;
SNL - Sandial National Laboratories&#13;
&#13;
## Dataset description&#13;
&#13;
- Total size: 1.1 TB&#13;
- System: Al256&#13;
- Temperature(s): 100K, 200K, 298K, 400K, 500K, 600K, 700K, 800K, 933K&#13;
- Mass density(ies): 2.699 gcc&#13;
- Crystal Structure: fcc (material mp-134 in the materials project)&#13;
- Number of atomic snapshots: 105&#13;
    - 30 (100K): 138 GB&#13;
    - 3  (200K): 42 GB&#13;
    - 10 (298K): 137 GB&#13;
    - 3  (400K): 41 GB&#13;
    - 20 (500K): 237 GB (zip file split in three portions)&#13;
    - 3  (600K): 42 GB&#13;
    - 3  (700K): 42 GB&#13;
    - 3  (800K): 42 GB&#13;
    - 30 (933K): 360 GB (zip file split in four portions)&#13;
- Contents:&#13;
    - ideal crystal structure: no&#13;
    - MD trajectory: no&#13;
    - Atomic positions: yno&#13;
    - DFT inputs: yes&#13;
    - DFT outputs (energies): yes&#13;
    - SNAP vectors: yes (partially, see below)&#13;
        - dimensions: 200x200x200x94 (last dimension: first three entries are x,y,z coordinates, data size is 91)&#13;
        - units: a.u.&#13;
    - LDOS vectors: yes (partially, see below)&#13;
        - dimensions: 200x200x200x250&#13;
        - units: 1/(Ry*Bohr^3)&#13;
        - note: LDOS parameters are the same for all sizes of the unit cell&#13;
    - trained networks: no&#13;
&#13;
&#13;
## Dataset structure&#13;
&#13;
For each temperature, a .zip file is included which contains one folder per combination of mass density and number of atoms (only one folder in case of this dataset). Therein, one finds the following folders:&#13;
&#13;
- ldos: holds the LDOS vectors&#13;
- bispectrum: holds the SNAP fingerprint vectors&#13;
- dft_outputs: holds the outputs from the DFT calculations, i.e. energies in the form of a QE output file&#13;
- dft_inputs: holds the inputs for the DFT calculations, in the form of a QE input file&#13;
- different_ionic_temperatures.md: If necessary, details which snapshots have an ionic temperature different from the given electronic temperature</dc:description>
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          <dc:creator>Svensson, Pontus</dc:creator>
          <dc:creator>Kalkavouras, Fotios</dc:creator>
          <dc:creator>Hernandez Acosta, Uwe</dc:creator>
          <dc:creator>Moldabekov, Zhandos</dc:creator>
          <dc:creator>Tolias, Panagiotis</dc:creator>
          <dc:creator>Vorberger, Jan</dc:creator>
          <dc:creator>Dornheim, Tobias</dc:creator>
          <dc:date>2026-04-09</dc:date>
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          <dc:subject>Free energy</dc:subject>
          <dc:subject>PIMC</dc:subject>
          <dc:subject>Warm dense matter</dc:subject>
          <dc:subject>Uniform electron gas</dc:subject>
          <dc:title>Data publication: Accelerated free energy estimation in ab initio path integral Monte Carlo simulations</dc:title>
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