2026-06-19T01:33:00Z https://rodare.hzdr.de/oai2d

oai:rodare.hzdr.de:2070 2024-08-12T09:48:40Z openaire_data user-fwi user-hzdr user-matter user-rodare user-ibc

Iurchuk, Vadym Pablo-Navarro, Javier Hula, Tobias Narkowicz, Ryszard Hlawacek, Gregor Koerber, Lukas Kakay, Attila Schultheiss, Helmut Fassbender, Juergen Lenz, Kilian Lindner, Juergen 2023-01-11 This dataset contains raw data (SEM images, AFM, FMR, BLS, TetraX) used to study the dynamical edge modes in closely spaced permalloy microstrips. https://rodare.hzdr.de/record/2070 10.14278/rodare.2070 oai:rodare.hzdr.de:2070 doi:10.17815/jlsrf-3-159 url:https://www.hzdr.de/publications/Publ-36217 url:https://www.hzdr.de/publications/Publ-35208 doi:10.14278/rodare.2069 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Data publication : Tailoring crosstalk between localized 1D spin-wave nanochannels using focused ion beams info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:147 2021-11-02T19:15:11Z software user-matter user-rodare

Pausch, Richard Steiniger, Klaus Debus, Alexander 2019-08-19 The input set of the L|PWFA simulation as used in the publication "Demonstration of a compact plasma wakefield accelerator powered by laser-accelerated electron beams" by T.Kurz et al. . To run the simulation use PIConGPU 0.4.2 (see DOI: 10.5281/zenodo.1491926). https://rodare.hzdr.de/record/147 10.14278/rodare.147 oai:rodare.hzdr.de:147 url:https://www.hzdr.de/publications/Publ-29581 doi:10.14278/rodare.146 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode PIConGPU simulation setup for L|PWFA simulation info:eu-repo/semantics/other software

oai:rodare.hzdr.de:413 2020-10-30T11:51:26Z openaire_data user-fwi user-hzdr user-matter user-rodare

Venanzi, Tommaso Arora, Himani Winnerl, Stephan Pashkin, Oleksiy Chava, Phanish Patane, Amalia Kovalyuk, Zakhar Kudrynskyi, Zakhar Watanabe, Kenji Taniguchi, Takashi Erbe, Artur Helm, Manfred Schneider, Harald 2020-04-14 We study the optical properties of thin flakes of InSe encapsulated in hexagonal boron nitride. Mores pecifically, we investigate the photoluminescence (PL) emission and its dependence on sample thickness and temperature. Through the analysis of the PL line shape, we discuss the relative weights of the exciton and electron-hole contributions. Thereafter we investigate the PL dynamics. Two contributions are distinguishable at low temperature: direct band-gap electron-hole and defect-assisted recombination. The two recombination processes have lifetimes ofτ1∼8ns andτ2∼100 ns, respectively. The relative weights of the direct band-gap and defect-assisted contributions show a strong layer dependence due to the direct-to-indirect band-gap crossover. Electron-hole PL lifetime is limited by population transfer to lower-energy states and no dependence on the number of layers was observed. The lifetime of the defect-assisted recombination gets longer for thinner samples. Finally, we show that the PL lifetime decreases at high temperatures as a consequence of more efficient nonradiative recombinations. https://rodare.hzdr.de/record/413 10.14278/rodare.413 oai:rodare.hzdr.de:413 url:https://www.hzdr.de/publications/Publ-30918 url:https://www.hzdr.de/publications/Publ-30917 doi:10.14278/rodare.412 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/1.0/legalcode 2D semiconductors time-resolved photoluminescence Data for: Photoluminescence dynamics in few-layer InSe info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:807 2024-08-13T12:15:05Z user-fwi user-ecfunded user-matter user-rodare user-ibc

von Borany, Johannes Engelmann, Hans-Jürgen 2021-02-09 Energy-filtered transmission electron microscopy (EFTEM) images of stacked Si/SiO2/Si nanopillars https://rodare.hzdr.de/record/807 10.14278/rodare.807 oai:rodare.hzdr.de:807 info:eu-repo/grantAgreement/EC/H2020/688072/ doi:10.17815/jlsrf-3-159 doi:10.1016/j.mne.2020.100074 url:https://www.hzdr.de/publications/Publ-32276 url:https://www.hzdr.de/publications/Publ-32129 doi:10.14278/rodare.806 url:https://rodare.hzdr.de/communities/ecfunded url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Sub-20 nm multilayer nanopillar patterning for hybrid SET/CMOS integration: Figs. 1a, 1b and 5 info:eu-repo/semantics/other image-figure

oai:rodare.hzdr.de:1187 2021-11-12T13:07:21Z openaire_data user-hzdr user-matter user-rodare

Moldabekov, Zhandos Dornheim, Tobias Böhme, Maximilian Vorberger, Jan Cangi, Attila 2021-09-15 This repository contains the Kohn-Sham density functional theory (KS-DFT) and path-integral Monte-Carlo (PIMC) data used in the journal publication "The relevance of electronic perturbations in the warm dense electron gas". https://rodare.hzdr.de/record/1187 10.14278/rodare.1187 oai:rodare.hzdr.de:1187 url:https://www.hzdr.de/publications/Publ-33115 url:https://www.hzdr.de/publications/Publ-33126 doi:10.14278/rodare.1186 url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Density Functional Theory Path-Integral Monte-Carlo Electronic Structure Theory Data associated with the publication "The relevance of electronic perturbations in the warm dense electron gas" info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:1150 2024-08-08T10:36:21Z openaire_data user-ecfunded user-matter user-rodare user-elbe

Kovalev, Sergey Tielrooij, K.-J. Deinert, Jan-Christoph Ilyakov, Igor Chen, Min Ponomaryov, Oleksiy Oliveira, Thales de Eng, L. M. Gensch, Michael 2021-09-09 This research data publication contains: - Experimental datasets which were evaluated and presented in the corresponding article. - Origin software file that contains the raw data as well as the different steps of the data analysis, the results of which are presented in the article. https://rodare.hzdr.de/record/1150 10.14278/rodare.1150 oai:rodare.hzdr.de:1150 info:eu-repo/grantAgreement/EC/H2020/737038/ info:eu-repo/grantAgreement/EC/H2020/804349/ url:https://www.hzdr.de/publications/Publ-32361 url:https://www.hzdr.de/publications/Publ-33099 doi:10.14278/rodare.1149 url:https://rodare.hzdr.de/communities/ecfunded url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/restrictedAccess Terahertz Ultrafast Harmonic Generation Topological Insulators Surface Science Dirac Material Research data: Terahertz signatures of ultrafast Dirac fermion relaxation at the surface of topological insulators info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:4442 2026-01-26T06:56:32Z openaire_data openaire_data user-fwi user-rodare user-matter user-ibc user-crc1415

Barnowsky, Tom Christie, Madeleine Nihei, Anastasiia Friedrich, Rico 2026-01-23 Primary Research Data for "Kagome Flat Bands from Self-Assembled Water on Non–van der Waals 2D Materials" Tom Barnowsky, Madeleine Christie, Anastasiia Nihei, and Rico Friedrich TU Dresden & Helmholtz-Zentrum Dresden-Rossendorf, Germany This dataset contains the primary data supporting the publication "Kagome Flat Bands from Self-Assembled Water on Non–van der Waals 2D Materials". Data Structure The dataset is organized according to the following directory template: . ├── binaries │ ├── 001_facet_Al2O3_ICSD_89664_PBE_relax_ions_cell_shape │ │ └── passivation_H2O_full │ │ ├── aflow.in │ │ ├── ... │ │ └── MD_300K_PROB_0.01 │ │ ├── INCAR.xz │ │ └── ... │ └── ... └── ternaries └── ... The data hierarchy consists of the following levels: System type: `binaries` (two chemical species) versus `ternaries` (three chemical species). Pristine slab data: Directories of the form `001_facet_*` contain pristine slab structures from Refs. [1,2]. These directories are left empty as this data can be acquired from the associated data publications [3,4]. H2O passivated slabs: The directories `passivation_H2O_full` contains AFLOW/VASP [5–10] input and output files for structural relaxation and electronic band structure calculations. Molecular dynamics simulations: The directories `MD_300K_PROB_0.01` contains VASP input and output files for molecular dynamics simulations at 300 K used to assess structural stability. Additional electronic analysis: For KSbO3, an additional subdirectory `electronic_details` inside `passivation_H2O_full` contains charge density differences, local electrostatic potentials, and partial charge densities. Solvation Calculations For the 11 systems identified as dynamically stable, a duplicate of the directory tree described above is provided with the suffix `_water_solvation`. These directories contain VASPsol++ [11] solvation-corrected calculations for both pristine slabs and H2O-passivated sheets. https://rodare.hzdr.de/record/4442 10.14278/rodare.4442 oai:rodare.hzdr.de:4442 eng doi:10.1021/acs.nanolett.1c03841 doi:10.1002/aelm.202201112 doi:10.14278/rodare.1421 doi:10.14278/rodare.1852 doi:10.1007/s44210-025-00058-2 doi:10.1103/PhysRevB.47.558 doi:10.1103/PhysRevB.49.16223 doi:10.1088/0953-8984/6/40/015 doi:10.1103/PhysRevB.54.11169 doi:10.1016/0927-0256(96)00008-0 doi:10.1063/5.0176308 url:https://www.hzdr.de/publications/Publ-42857 doi:10.14278/rodare.4441 url:https://rodare.hzdr.de/communities/crc1415 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 2D materials passivation non-van der Waals compounds high-throughput computing flat bands kagome lattice Data Publication: Kagome Flat Bands from Self-Assembled Water on Non–van der Waals 2D Materials info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:2262 2024-08-12T08:02:00Z openaire_data user-ecfunded user-rodare user-health user-matter user-elbe user-draco-elbe user-oncoray

Reimold, Marvin Assenbaum, Stefan Beyreuther, Elke Bodenstein, Elisabeth Brack, Florian-Emanuel Eisenmann, Christoph Englbrecht, F. Kroll, Florian Lindner, F. Masood, U. Pawelke, Jörg Schramm, Ulrich Schneider, Moritz Sobiella, Manfred Umlandt, Marvin Elias Paul Vescovi Pinochet, Milenko Andrés Zeil, Karl Ziegler, Tim Metzkes-Ng, Josefine 2023-04-18 The data set comprises raw data, processed data and detector data for the OCTOPOD detector applied for characterization of proton bunches at a proton cyclotron and a laser-driven proton accelerator. https://rodare.hzdr.de/record/2262 10.14278/rodare.2262 oai:rodare.hzdr.de:2262 eng info:eu-repo/grantAgreement/EC/H2020/871124/ doi:10.17815/jlsrf-2-58 doi:10.1017/hpl.2023.55 url:https://www.hzdr.de/publications/Publ-36823 url:https://www.hzdr.de/publications/Publ-36751 doi:10.14278/rodare.2261 url:https://rodare.hzdr.de/communities/draco-elbe url:https://rodare.hzdr.de/communities/ecfunded url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/health url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/oncoray url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/restrictedAccess laser-plasma acceleration of protons proton detector tomographic reconstruction Data publication for: OCTOPOD - single bunch tomography for angular-spectral characterization of laser-driven protons info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:24 2020-10-20T11:18:53Z openaire_data user-ecfunded user-fwk user-matter user-rodare user-hzdr

Kluge, Thomas Rödel, Melanie Metzkes, Josefine Pelka, Alexander Garcia, Alejandro Laso Prencipe, Irene Rehwald, Martin Nakatsutsumi, Motoaki McBride, Emma E. Schönherr, Tommy Garten, Marco Hartley, Nicholas J. Zacharias, Malte Erbe, Arthur Georgiev, Yordan M. Galtier, Eric Nam, Inhyuk Lee, Hae Ja Glenzer, Siegfried Bussmann, Michael Gutt, Christian Zeil, Karl Rödel, Christian Hübner, Uwe Schramm, Ulrich Cowan, Thomas E. 2018-05-09 Raw data, lineouts and fits for the publication https://rodare.hzdr.de/record/24 10.14278/rodare.24 oai:rodare.hzdr.de:24 info:eu-repo/grantAgreement/EC/H2020/654148/ url:https://www.hzdr.de/publications/Publ-27465 doi:10.14278/rodare.23 url:https://rodare.hzdr.de/communities/ecfunded url:https://rodare.hzdr.de/communities/fwk url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-sa/4.0/legalcode Data for publication info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:340 2020-10-30T12:48:10Z user-hzdr user-matter user-rodare

Baraban, Larysa Klinghammer, Stephanie Rauch, Sebastian Uhlmann, Petra Pregl, Sebastian Cuniberti, Gianaurelio 2020-05-20 Figure compilations with the access to the origin files of the graphs. Created by Stephanie Klinghammer and Larysa Baraban: fabrication of SiNQ, measurements) https://rodare.hzdr.de/record/340 10.14278/rodare.340 oai:rodare.hzdr.de:340 eng url:https://www.hzdr.de/publications/Publ-31055 url:https://www.hzdr.de/publications/Publ-30945 doi:10.14278/rodare.339 url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/closedAccess polymer brushes functionalization iv curves Figure and data from 'Surface Modification of Silicon Nanowire Based Field Effect Transistors with Stimuli Responsive Polymer Brushes for Biosensing Applications' info:eu-repo/semantics/other image-figure

oai:rodare.hzdr.de:1036 2024-08-09T12:42:17Z openaire_data user-matter user-rodare user-elbe user-telbe

Tielrooij, Klaas-Jan Kovalev, Sergey Soavi, Giancarlo Klimmer, Sebastian Deinert, Jan-Christoph Kovalev, Sergey 2021-06-22 Research data from the June 2021 TELBE beamtime for scientific exchange. https://rodare.hzdr.de/record/1036 10.14278/rodare.1036 oai:rodare.hzdr.de:1036 eng url:https://www.hzdr.de/publications/Publ-32819 doi:10.14278/rodare.1035 url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare url:https://rodare.hzdr.de/communities/telbe info:eu-repo/semantics/restrictedAccess Terahrtz graphene encapsulated graphene nonlinear optics harmonic generation Research data: THz harmonic generation from ultraclean graphene info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:1347 2023-08-31T09:17:41Z openaire_data user-hzdr user-matter user-rodare

Cangi, Attila Ramakrishna, Kushal Lokamani, Mani 2021-12-22 This repository contains the data and script to generate the electronic component of the thermal conductivity in iron (alpha phase) relevant for the linked publication. https://rodare.hzdr.de/record/1347 10.14278/rodare.1347 oai:rodare.hzdr.de:1347 doi:10.1007/s10853-021-06865-3 url:https://www.hzdr.de/publications/Publ-33790 url:https://www.hzdr.de/publications/Publ-33761 doi:10.14278/rodare.1346 url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Density functional theory Electron transport properties Thermal conductivity Electrical conductivity Data for "Dissociating the phononic, magnetic and electronic contributions to thermal conductivity: a computational study in α-iron" info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:4043 2025-10-20T12:14:18Z software user-matter user-rodare

Kakay, Attila Schneider, Tobias 2025-10-16 This is a mumax3 (https://mumax.github.io/) software extension to compute the power spectrum from the mumax3 simulations, especially designed to run on HPC (high-performance computing) clusters. For details on usage or maintenance please contact Dr. Attila Kákay at a.kakay@hzdr.de This package also include the mode movie program, that can be used to recover the spatial profiles of the magnetization dynamics with a given frequency, obtained with the power spectrum computation. modemovie -h shows a help on the usage. When running the program, will ask for the frequency index that is stored in the spectrum (text file) computed by the mumax3-pwsp, and for the number of periods and number of frames in a period, for the output files that can be used to created a movie of the magnetization dynamics. For further help and details look the source code or contact Dr. Attila Kákay at a.kakay@hzdr.de https://rodare.hzdr.de/record/4043 10.14278/rodare.4043 oai:rodare.hzdr.de:4043 url:https://www.hzdr.de/publications/Publ-41986 doi:10.14278/rodare.4042 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode magnetization dynamics power spectrum FFT mode movie Software: mumax3-pwsp for HPC info:eu-repo/semantics/other software

oai:rodare.hzdr.de:4572 2026-03-27T13:11:08Z openaire_data user-matter user-rodare

Carstens, Finn-Ole Bernert, Constantin Bussmann, Michael Debus, Alexander Hirsch, Arthur Emmanuel Ordyna, Pawel Steiniger, Klaus Widera, René Schramm, Ulrich Pausch, Richard 2025-11-30 Data to create figures for "Synthetic Optical Imaging in PIConGPU" and source code to rerun simulations. `cryojet_shadowgram_plugin_data.zip`: Simulation with cryojet shadowgram (Fig 4b, 4c, 4d), input files to rebuild and rerun simulation are in `input/include` and `input/etc` `doubleslit_openpmd_data_setup.zip`: Simulation with double slit setup picture (Fig. 2), input files to rebuild and rerun simulation are in `input/include` and `input/etc` `doubleslit_shadowgram_openpmd_data.zip`: Simulation with double slit shadowgram made with openPMD time integration (Fig. 3b), input files to rebuild and rerun simulation are in `input/include` and `input/etc` `doubleslit_shadowgram_plugin_data.zip`: Simulation with double slit shadowgram made with plugin (Fig. 3a and 3b), input files to rebuild and rerun simulation are in `input/include` and `input/etc` `picongpu-cryojet.zip`: PIConGPU source code for cryojet simulations `picongpu-doubleslit.zip`: PIConGPU source code for double slit simulations Changelog 1.0.0 -> 2.0.0: Update `cryojet_shadowgram_plugin_data.zip` for the new shadowgraphy cryojet simulation (Fig 4b, 4c, 4d) Removed `cryojet_openpmd_data.zip`, the density plot (Fig. 4a) is now directly created with a python script with the information from the `density.param` in `cryojet_shadowgram_plugin_data.zip` https://rodare.hzdr.de/record/4572 10.14278/rodare.4572 oai:rodare.hzdr.de:4572 eng url:https://www.hzdr.de/publications/Publ-42310 url:https://www.hzdr.de/publications/Publ-42291 doi:10.14278/rodare.4136 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Particle-in-Cell Laser Plasma Acceleration Shadowgraphy PIConGPU Data publication: Synthetic Optical Imaging in PIConGPU info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:2305 2023-05-22T07:25:30Z openaire_data user-rodare user-matter user-fwi

Lünser, Klara Undisz, Andreas Nielsch, Kornelius Fähler, Sebastian 2023-05-09 This dataset belongs to the paper "How to grow single-crystalline and epitaxial NiTi films in (100)- and (111)-orientation" and contains all raw data used for the paper. It includes AFM, SEM, R(T), TEM, Texture measurements and rocking curves. Information about samples, measurement techniques and file naming conventions can be found in README.txt. https://rodare.hzdr.de/record/2305 10.14278/rodare.2305 oai:rodare.hzdr.de:2305 url:https://www.hzdr.de/publications/Publ-36945 url:https://www.hzdr.de/publications/Publ-36955 doi:10.14278/rodare.2304 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode NiTi films shape memory alloys epitaxial film growth Nitinol Data for "How to grow single-crystalline and epitaxial NiTi films in (100)- and (111)-orientation" info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:1194 2021-10-05T04:25:19Z software software user-matter user-rodare

Stiller, Patrick Zhdanov, Maksim Rustamov, Jeyhun Bethke, Friedrich Hoffmann, Nico 2021-09-06 Neural Solvers are neural network-based solvers for partial differential equations and inverse problems. The framework implements scalable physics-informed neural networks Physics-informed neural networks allow strong scaling by design. Therefore, we have developed a framework that uses data parallelism to accelerate the training of physics-informed neural networks significantly. To implement data parallelism, we use the Horovod framework, which provides near-ideal speedup on multi-GPU regimes. https://rodare.hzdr.de/record/1194 10.14278/rodare.1194 oai:rodare.hzdr.de:1194 eng url:https://arxiv.org/pdf/2009.03730.pdf url:https://www.hzdr.de/publications/Publ-33172 doi:10.14278/rodare.1193 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/1.0/legalcode PINNs PDEs Neural Solver Scalable AI Neural Solvers info:eu-repo/semantics/other software

oai:rodare.hzdr.de:2365 2023-10-24T07:42:14Z openaire_data user-rodare user-matter user-hzdr

Lünser, Klara Fähler, Sebastian 2023-07-12 This dataset contains data about the epitaxial NiTi film that was used in the publication "Guided acoustic waves in thin epitaxial films: experiment and inverse problem solution for NiTi". It contains the SEM, AFM, FIB and R(T) data used to characterize the film. https://rodare.hzdr.de/record/2365 10.14278/rodare.2365 oai:rodare.hzdr.de:2365 url:https://www.hzdr.de/publications/Publ-37259 doi:10.14278/rodare.2364 url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode NiTi epitaxial film Dataset for "Guided acoustic waves in thin epitaxial films: experiment and inverse problem solution for NiTi" info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:2328 2023-07-06T07:52:13Z openaire_data user-matter user-fwi user-rodare

Lünser, Klara Undisz, Andreas Wagner, Martin Nielsch, Kornelius Fähler, Sebastian 2023-06-27 This dataset belongs to the paper "Solving the puzzle of hierarchical martensitic microstructures in NiTi by (111)-oriented epitaxial films" and contains all raw data used for the paper. It includes SEM, TEM, Texture measurements and inverse polfigures. It also contains the MATLAB code for calculating variant orientations, twin boundary and habit plane orientations, and inverse pole figures. Information about sample, measurement techniques and further data description can be found in README.txt. https://rodare.hzdr.de/record/2328 10.14278/rodare.2328 oai:rodare.hzdr.de:2328 url:https://www.hzdr.de/publications/Publ-37172 url:https://www.hzdr.de/publications/Publ-37198 doi:10.14278/rodare.2327 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode NiTi martensitic microstructure epitaxial film Data publication: Solving the puzzle of hierarchical martensitic microstructures in NiTi by (111)-oriented epitaxial films info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:3822 2025-06-20T06:22:30Z openaire_data user-matter user-rodare

Chanlaridis, Savvas Ohse, David Alvarez-Castillo, David Edwin Antoniadis, John Blaschke, David Danchev, Victor Langer, Norbert Misra, Devina 2025-06-19 Tabulated data for the evolution of masses, radii and orbits of accreting millisecond pulsars in binaries corresponding to functions displayed in the figures of the related publication. When using the data, please cite the publication S. Chanlaridis et al., Astron. Astrophys. 695, A16 (2025) and to this repository. https://rodare.hzdr.de/record/3822 10.14278/rodare.3822 oai:rodare.hzdr.de:3822 doi:10.1051/0004-6361/202452259 url:https://www.hzdr.de/publications/Publ-41502 url:https://www.hzdr.de/publications/Publ-41501 doi:10.14278/rodare.3821 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode accretion dense matter equation of state millisecond pulsars eccentric binaries twin stars neutron star kicks Data publication: Formation of twin compact stars in low-mass X-ray binaries. Implications for eccentric and isolated millisecond pulsar populations info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:1544 2023-01-27T11:18:09Z openaire_data user-hzdr user-matter user-rodare

Ilyakov, Igor Agarwal, Naman Deinert, Jan-Christoph Liu, Jia Yaroslavtsev, Alexander Foglia, Laura Kurdi, Gabor Mincigrucci, Riccardo Principi, Emiliano Jakob, Gerhard Kläui, Mathias Seifert, Tom Kampfrath, Tobias Kovalev, Sergey Carley, Robert Scherz, Andreas Gensch, Michael 2022-04-27 This repository entry contains the research data used for generating the publication "Terahertz-wave decoding of femtosecond extreme-ultraviolet light pulses". https://rodare.hzdr.de/record/1544 10.14278/rodare.1544 oai:rodare.hzdr.de:1544 eng doi:10.1364/OPTICA.453130 url:https://www.hzdr.de/publications/Publ-32547 url:https://www.hzdr.de/publications/Publ-34564 doi:10.14278/rodare.1543 url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/restrictedAccess Terahertz Extreme Ultraviolet Pulse-resolved ultrafast terahertz tomography electron bunch diagnostics Research data: Terahertz-wave decoding of femtosecond extreme-ultraviolet light pulses info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:3869 2025-07-15T08:04:27Z openaire_data user-fwi user-ibc user-matter user-rodare

Neumann, Bruno Jocobi, Giovanna Izadi, Ali Henschke, Andreas Fähler, Sebastian 2025-06-18 Data publication for the journal article entitled "The power of thermoelastic harvesting of low-grade waste heat: A question of timing" by Bruno Neumann, Giovanna Jocobi, Ali Izadi, Andreas Henschke and Sebastian Fähler. https://rodare.hzdr.de/record/3869 10.14278/rodare.3869 oai:rodare.hzdr.de:3869 url:https://www.hzdr.de/publications/Publ-41491 doi:10.14278/rodare.3815 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Shape Memory Alloys In-Operando Thermoelastic Waste heat The power of thermoelastic harvesting of low-grade waste heat: A question of timing the heat exchange info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:3348 2025-01-07T13:15:50Z openaire_data user-matter user-rodare user-fwi user-ibc

Neumann, Bruno Fähler, Sebastian 2024-12-20 Data publication for the FEM-simulation study entitled "Design guidelines for efficient thermoelastic harvesting of low-grade waste heat" by Bruno Neumann and Sebastian Fähler. The attached archive contains a readme file to explain the structure of the data and where it can be found. https://rodare.hzdr.de/record/3348 10.14278/rodare.3348 oai:rodare.hzdr.de:3348 url:https://www.hzdr.de/publications/Publ-40324 url:https://www.hzdr.de/publications/Publ-40325 doi:10.14278/rodare.3347 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Design guidelines for efficient thermoelastic harvesting of low-grade waste heat info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:1856 2024-10-24T14:59:28Z openaire_data user-hzdr user-matter user-rodare

Fiedler, Lenz Moldabekov, Zhandos Shao, Xuecheng Jiang, Kaili Dornheim, Tobias Pavanello, Michele Cangi, Attila 2022-05-30 # Data and Scripts for "Accelerating Equilibration in First-Principles Molecular Dynamics with Orbital-Free Density Functional Theory" This dataset contains data and calculation scripts for the publication "Boosting first-principles molecular dynamics with orbital-free density functional theory". Its goal is to enable interested parties to reproduce the experiments we have carried out. ## Prerequesites The following software versions are needed for the python scripts: - `python`: 3.8.x - `mala`: 1.1.0 (with `dftpy` installed) Further, make sure you have a working `Quantum ESPRESSO` and `VASP` installation and have downloaded additional data such as local pseudopotentials and ML models (for references, see publication). ## Contents - `scripts/`: Example scripts for the three principal python tasks associated with out work: ML inference, trajectory analysis and OF-DFT-MD runs (via DFTPy). The scripts are general blueprints for these experiments and can be adjusted to perform all of the calculations given in the publication. - `data/`: Contains raw calculation data for the three investigated systems (hydrogen, beryllium and aluminium). Since the main goal of this work is to compare OF-DFT-MD initialized and ideal crystal structure initialized trajectories and inferences, each of the three system-folders contains a `MD_ideal_crystal_structure` and `MD_ofdft_init` folder, with ideal crystal structure and OF-DFT-MD initialized data, respectively. Therein, contents may differ; e.g. aluminium contains DFT calculation data, for beryllium data is divided by system size and Nosé mass, while for hydrogen data for different temperatures is given. https://rodare.hzdr.de/record/1856 10.14278/rodare.1856 oai:rodare.hzdr.de:1856 doi:10.1103/PhysRevResearch.4.043033 url:https://www.hzdr.de/publications/Publ-34767 url:https://www.hzdr.de/publications/Publ-34778 url:https://www.hzdr.de/publications/Publ-39797 doi:10.14278/rodare.1648 url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Data and Scripts for "Accelerating Equilibration in First-Principles Molecular Dynamics with Orbital-Free Density Functional Theory" info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:1813 2022-08-04T09:43:06Z openaire_data user-hzdr user-fwd user-matter user-rodare

Schindler, Felix Eckert, Sven Zürner, Till Schumacher, Jörg Vogt, Tobias 2022-07-21 Rawdata on which the publication is based on. .BDD binary files for Ultrasound measurements. .dat: direct temperature measurement data. https://rodare.hzdr.de/record/1813 10.14278/rodare.1813 oai:rodare.hzdr.de:1813 eng doi:10.1103/PhysRevLett.128.164501 url:https://www.hzdr.de/publications/Publ-34082 url:https://www.hzdr.de/publications/Publ-34142 doi:10.14278/rodare.1812 url:https://rodare.hzdr.de/communities/fwd url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Rayleigh-Benard Convection liquid metal low Pr cylinder Aspect Ratio 0.5 Ultrasound Doppler Velocimetry Data publication: Collapse of Coherent Large Scale Flow in Strongly Turbulent Liquid Metal Convection info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:1645 2022-05-30T07:06:04Z openaire_data user-matter user-hzdr user-rodare

Thiessenhusen, Erik Hoffmann, Nico Kluge, Thomas 2022-05-25 This simulated dataset consists of 48k train, 6k validation and 6k test data in the h5py file format. A small example on how to access the data is located in the python script "load_data_example.py". "all_params.h5" are the three parameters of each grating in the order sigma, g, b. "all_dist.h5" are the gratings and "all_endproduct.h5" are the 2048D lineouts of the SAXS diffraction pattern. Besides the |FFT|^2 SAXS propagator a number of pertubations were implemented in order to close the domain gap between simulation and experiment. https://rodare.hzdr.de/record/1645 10.14278/rodare.1645 oai:rodare.hzdr.de:1645 eng url:https://www.hzdr.de/publications/Publ-34715 doi:10.14278/rodare.1644 url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode SAXS lineout grating inversion Dataset for Inversion of 1D SAXS grating signal info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:4596 2026-04-10T10:10:31Z openaire_data user-matter user-rodare

Tahmasbi, Hossein Knüpfer, Andreas Kühne, Thomas Dae-Song Mir Hosseini, Seyed Hossein 2026-04-09 Reference data and scripts generated for the "Benchmarking Universal Machine Learning Interatomic Potentials on Elemental Systems" manuscript. https://rodare.hzdr.de/record/4596 10.14278/rodare.4596 oai:rodare.hzdr.de:4596 url:https://www.hzdr.de/publications/Publ-43234 doi:10.14278/rodare.4595 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Benchmarking Universal Machine Learning Interatomic Potentials on Elemental Systems info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:66 2018-10-30T12:42:21Z openaire_data user-fwk user-health user-hzdr user-matter user-rodare

Obst-Huebl, Lieselotte Ziegler, Tim Brack, Florian-Emanuel Branco, João Bussmann, Michael Cowan, Thomas E. Curry, Chandra B. Fiuza, Frederico Garten, Marco Gauthier, Maxence Göde, Sebastian Glenzer, Siegfried H. Huebl, Axel Irman, Arie Kim, Jongjin B. Kluge, Thomas Kraft, Stephan Kroll, Florian Metzkes-Ng, Josefine Pausch, Richard Prencipe, Irene Rehwald, Martin Rödel, Christian Schlenvoigt, Hans-Peter Schramm, Ulrich Zeil, Karl 2018-10-30 This data repository contains analyzed data files of the shown figures and simulation input files. Please see the according README.txt files in the individual directories and the original manuscript for guidance. Manuscript title: All-optical structuring of laser-driven proton beam profiles Authors: Lieselotte Obst, Tim Ziegler, Florian-Emanuel Brack, Joao Branco, Michael Bussmann, Thomas E. Cowan, Chandra B. Curry, Frederico Fiuza, Marco Garten, Maxence Gauthier, Sebastian Göde, Siegfried H. Glenzer, Axel Huebl, Arie Irman, Siegfried H. Glenzer, Axel Huebl, Arie Irman, Jongjin B. Kim, Thomas Kluge, Stephan Kraft, Florian Kroll, Josefine Metzkes-Ng, Richard Pausch, Irene Prencipe, Martin Rehwald, Christian Rödel, Hans-Peter Schlenvoigt, Ulrich Schramm, Karl Zeil Submitted to: Nature Communications (2018) Responsible for the data repository: Lieselotte Obst-Huebl, TU Dresden and HZDR Axel Huebl, TU Dresden and HZDR Tim Ziegler, TU Dresden and HZDR Thomas Kluge, HZDR https://rodare.hzdr.de/record/66 10.14278/rodare.66 oai:rodare.hzdr.de:66 url:https://www.hzdr.de/publications/Publ-28136 doi:10.14278/rodare.65 url:https://rodare.hzdr.de/communities/fwk url:https://rodare.hzdr.de/communities/health url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode All-optical structuring of laser-driven proton beam profiles data sets info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:131 2019-07-03T13:43:05Z user-rodare user-matter user-hzdr

Huebl, Axel Widera, René Garten, Marco Pausch, Richard Steiniger, Klaus Bastrakov, Sergei Meyer, Felix Bastrakova, Ksenia Debus, Alexander Kluge, Thomas Ehrig, Simeon Werner, Matthias Worpitz, Benjamin Matthes, Alexander Rudat, Sophie Starke, Sebastian Bussmann, Michael 2019-06-13 PIConGPU is an open source, multi-platform particle-in-cell code scaling to the fastest supercomputers in the TOP500 list. We present the architecture, novel developments, and workflows that enable high-precision, fast turn-around computations on Exascale-machines. Furthermore, we present our strategies to handle extreme data flows from thousands of GPUs for analysis with in situ processing and open data formats (openPMD). PIConGPU is since recently furthermore natively controlled by a Python Jupyter interface and we research just-in-time kernel generation for C++ with our Cling-CUDA extensions. Invited minisymposium talk at the Platform for Advanced Scientific Computing (PASC) Conference (PASC19) at ETH Zurich (Zurich, Switzerland). https://rodare.hzdr.de/record/131 10.14278/rodare.131 oai:rodare.hzdr.de:131 eng url:https://www.hzdr.de/publications/Publ-29351 doi:10.14278/rodare.130 url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode LPA laser-plasma particle-in-cell HPC manycore GPU simulation interactive big data Scalable, Data Driven Plasma Simulations with PIConGPU info:eu-repo/semantics/lecture presentation

oai:rodare.hzdr.de:151 2019-09-05T11:43:19Z openaire_data user-rodare user-matter user-hzdr

Debus, Alexander Steiniger, Klaus Pausch, Richard Huebl, Axel Widera, Rene 2019-09-04 The input sets of the simulations as used in the publication "Circumventing the Dephasing and Depletion Limits of Laser-Wakefield Acceleration" by A. Debus et al. . The input sets include TWEAC scenarios, the LWFA scenario and the laser-propagation scenario of Appendix D. The src-directories include custom additions to the PIConGPU source code. The simulations were run using the beta-rc6, 0.3.1, and 0.4.0 releases of PIConGPU (see DOI: 10.5281/zenodo.591746). The input sets are shown according to the respective PIConGPU version used in the original simulation. However, for running the simulations we recommend adapting the input sets to the 0.4.0 release. https://rodare.hzdr.de/record/151 10.14278/rodare.151 oai:rodare.hzdr.de:151 eng doi:10.5281/zenodo.591746 url:https://www.hzdr.de/publications/Publ-29625 doi:10.14278/rodare.150 url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Optics Photonics Plasma Physics PIConGPU simulation settings for TWEAC info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:3233 2024-10-29T12:18:17Z openaire_data user-hzdr user-matter user-rodare

Brevis, Felipe Landeros, Pedro Lindner, Jürgen Kakay, Attila Körber, Lukas 2024-10-17 This archive contains the raw data as well as the Tetrax (www.tetrax.software) Jupyter notebooks to produce the data that has been analyzed and used for the manuscript: Curvature-induced parity loss and hybridization of magnons: Exploring the connection of flat and tubular magnetic shells, Physical Review B 110, 134428 (2024), published on 17 October, 2024. https://rodare.hzdr.de/record/3233 10.14278/rodare.3233 oai:rodare.hzdr.de:3233 url:https://www.hzdr.de/publications/Publ-39826 url:https://www.hzdr.de/publications/Publ-39818 doi:10.14278/rodare.3232 url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode curvature-induced spin waves mignons hybridization parity Data publication: Curvature-induced parity loss and hybridization of magnons: Exploring the connection of flat and tubular magnetic shells info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:2745 2024-08-12T08:06:43Z user-hzdr user-matter user-rodare user-oncoray

Schilz, Joshua Dietrich Bodenstein, Elisabeth Brack, Florian-Emanuel Horst, Felix Irman, Arie Kroll, Florian Pawelke, Jörg Prencipe, Irene Rehwald, Martin Reimold, Marvin Schöbel, Susanne Schramm, Ulrich Zeil, Karl Metzkes-Ng, Josefine 2024-02-28 All necessary Data to recreate the published plots and images in the publication: "Absolute energy-dependent scintillating screen calibration for real-time detection of laser-accelerated proton bunches". Included are the raw scintillating screen images, the plotting data and Python Scripts used for calculations and plotting. https://rodare.hzdr.de/record/2745 10.14278/rodare.2745 oai:rodare.hzdr.de:2745 eng url:https://www.hzdr.de/publications/Publ-38808 url:https://www.hzdr.de/publications/Publ-38800 doi:10.14278/rodare.2744 url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/oncoray url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/1.0/legalcode laser-driven protons scintillating screens absolute proton number calibration real-time spatially resolved detector calibration Data publication: Absolute energy-dependent scintillating screen calibration for real-time detection of laser-accelerated proton bunches info:eu-repo/semantics/other other

oai:rodare.hzdr.de:2042 2024-08-12T08:02:23Z openaire_data user-fwk user-matter user-rodare user-elbe user-draco-elbe

Rehwald, Martin Assenbaum, Stefan Bernert, Constantin Curry, C. B. Gauthier, M. Glenzer, S. H. Göde, S. Schoenwaelder, C. Treffert, F. Schramm, Ulrich Zeil, Karl 2022-12-21 Rohdaten und Ausgewertete Messungen, die in der Publikation dargestellt sind. https://rodare.hzdr.de/record/2042 10.14278/rodare.2042 oai:rodare.hzdr.de:2042 doi:10.17815/jlsrf-2-58 doi:10.18429/JACoW-IPAC2022-WEIXSP1 url:https://www.hzdr.de/publications/Publ-35970 url:https://www.hzdr.de/publications/Publ-35968 doi:10.14278/rodare.2041 url:https://rodare.hzdr.de/communities/draco-elbe url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/fwk url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Data publication: Towards High-Repetition Rate Petawatt Laser Experiments with Cryogenic Jets Using a Mechanical Chopper System info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:385 2020-10-30T11:58:42Z user-matter user-hzdr user-rodare

Baraban, Larysa 2020-06-29 6 supplementary videos https://rodare.hzdr.de/record/385 10.14278/rodare.385 oai:rodare.hzdr.de:385 url:https://www.hzdr.de/publications/Publ-31268 url:https://www.hzdr.de/publications/Publ-31267 doi:10.14278/rodare.384 url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Supplementary Video sets for the publication info:eu-repo/semantics/other video

oai:rodare.hzdr.de:729 2024-08-08T10:39:11Z openaire_data user-ecfunded user-rodare user-matter user-hzdr user-elbe

Wang, Zhe Kovalev, Sergey Deinert, Jan-Christoph 2021-01-31 Reserach data for Publication: Non-perturbative high-harmonic generation in the three-dimensional Dirac semimetal Cd₃As₂ DOI: 10.1038/s41467-020-16133-8 https://rodare.hzdr.de/record/729 10.14278/rodare.729 oai:rodare.hzdr.de:729 eng info:eu-repo/grantAgreement/EC/H2020/654220/ url:https://www.hzdr.de/publications/Publ-32144 url:https://www.hzdr.de/publications/Publ-29646 doi:10.14278/rodare.728 url:https://rodare.hzdr.de/communities/ecfunded url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/restrictedAccess Terahertz high harmonics Dirac material carrier dynamics ultrafast Research data: Non-perturbative high-harmonic generation in the three-dimensional Dirac semimetal Cd₃As₂ info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:1465 2022-03-09T13:10:53Z openaire_data user-matter user-fwi user-rodare

Schwabe, Stefan Lünser, Klara Schmidt, Daniel Nielsch, Kornelius Gaal, Peter Fähler, Sebastian 2022-03-02 Measured synchrotron data and calculated thermal evaluation during irradiation with the laser pulse. https://rodare.hzdr.de/record/1465 10.14278/rodare.1465 oai:rodare.hzdr.de:1465 eng url:http://arxiv.org/abs/2202.12581 url:https://www.hzdr.de/publications/Publ-34354 url:https://www.hzdr.de/publications/Publ-34330 doi:10.14278/rodare.1464 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Syncrotron data calculated thermal evaluation Data Publication: What is the speed limit of martensitic transformations? info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:1601 2024-08-12T07:31:08Z openaire_data user-matter user-rodare user-mu2e user-elbe user-γelbe

Price, Joseph Müller, Stefan Ferrari, Anna Knodel, Oliver Voigt, Martin Keshavarzi, Alexander Motuk, Erdem Judson, Daniel Koltick, David Miller, James Plesniak, Pawel Edmonds, Andrew Ufer, Robert Huang, Shihua Chen, Jijun Chislett, Rebecca Lancaster, Mark Rachamin, Reuven Tickle, Steven Alvarez, Claudia Ginther, George Harkness-Brennan, Laura 2022-05-05 These data were taken to characterize the performance and test the data acquisition system of two detectors to be used to monitor the stopping target for the forth-coming Mu2e experiment at Fermilab; the High Purity Germanium (HPGe) and Lanthanum Bromide (LaBr) Detectors, in the presence of the pulsed gamma beam at ELBE. This measurement is crucial for the normalisation of the Mu2e experiment. The corresponding beamtime was carried out at the gELBE bremsstrahlung beamline of HZDR's ELBE radiation facility from April 21 to April 25, 2022 (GATE ID: 21202619-ST). The data sets represent the data taken with the LaBr detector by means of an ORTEC DSPEC 50 and a Lecroy/Teledyne HDO4104 oscilloscope. https://rodare.hzdr.de/record/1601 10.14278/rodare.1601 oai:rodare.hzdr.de:1601 eng doi:10.17815/jlsrf-2-58 doi:10.58065/24020 handle:20.500.12865/HZDR.Projects.2022.FWCC.Project.74 url:https://www.hzdr.de/publications/Publ-34624 doi:10.14278/rodare.1600 url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/mu2e url:https://rodare.hzdr.de/communities/rodare url:https://rodare.hzdr.de/communities/γelbe info:eu-repo/semantics/restrictedAccess dataset detector HPGe LaBr3 Stopping target Monitor (STM) Mu2e gELBE Data Mangement DAQ muon conversion Test of the detector system for the Stopping Target Monitor of the Mu2e experiment in the presence of a high flux gamma background info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:4653 2026-06-02T09:35:49Z openaire_data user-crc1415 user-fwi user-hzdr user-ibc user-matter user-rodare

Nihei, Anastasiia Barnowsky, Tom Friedrich, Rico Nihei, Anastasiia Barnowsky, Tom Friedrich, Rico 2025-03-10 This dataset includes the primary research data for the publication "Non-van der Waals Heterostructures" by A. Nihei, T. Barnowsky, and R. Friedrich. The dataset encompasses all heterostructure calculations performed in the study. Repository Structure The dataset is systematically organized into four primary directories: Diamagnetic_diamagnetic/ – Contains computational results for heterostructures composed of two diamagnetic components. Diamagnetic_magnetic/ – Contains computational results for heterostructures comprising one diamagnetic and one magnetic component. Magnetic_magnetic/ – Contains computational results for systems consisting of two magnetic components. Supplementary/ - Contains additional computations that complement the main heterostructure datasets: - Convergence_Test/ - Contains convergence tests with respect to k-point density. It includes calculations for structural relaxation (relax_convergence) and for static and band structure evaluations (bands_dos_convergence). The folder naming convention reflects the k-point sampling in the xy-plane: for instance, a folder labeled 3 corresponds to a 3×3×1 k-point grid. - HSE06/ - Contains computational results of electronic band structure and density of states (BANDS_DOS) or only static runs (SCF_Only) for heterostructures and single layers calculated with the HSE06 functional. - Reference/ – Contains computational results for graphene homobilayer systems. - Shifted_Fe2O3_MgTiO3/ - Contains computational results for 9×9 grid of calculations for possible shifts in the Fe2O3_MgTiO3 heterostructure. - Strain_Effect/ - Contains computational results for single layers with a cell strained as in the HS, but relaxed atomic structure. Naming Conventions Each heterostructure is identified by a systematic naming scheme, structured as follows: Component1_Component2_NumberOfAtoms_TwistAngle_Strain_Functional , where NumberOfAtoms - Total number of atoms in the unit cell TwistAngle – Twist angle (degrees) between 2D components Strain – Initial strain applied to individual components in the resulting heterostructure Functional – Exchange-correlation functional and theoretical level employed (plain PBE(+U), PBE(+U)+D3, SCAN+rVV10) Each shifted Fe2O3_MgTiO3 heterostructure is identified by a systematic naming scheme, structured as follows: Shift_x_y , where inner Fe cation is shifted by (x;y) grid points from the origin (the shifts in x and y directions are changed by the increment of 1/9 of the lattice constant). Computational Data Organization Structural relaxation steps and convergence results are stored within the main directory named according to the previously defined convention for the heterostructure. Each system directory contains the following subdirectories: BANDS_DOS/ – Computed electronic band structures and density of states (DOS). Only density of states (DOS) is available for SCAN+rVV10 and some PBE(+U)+D3 calculations. density_difference/ (if present) – Charge density difference calculations, where charge densities of static calculations of individual systems were subtracted from the heterostructure charge density. PARCHG/ (if present) – Partial charge density calculations for specified bands. PHONONS/ (if present) - Phonon band structure data stored in JSON format. Additional Considerations Large-scale systems – Calculations for extended systems with up to 140 atoms are included. Fe2O3_MgTiO3 twisted systems – The initial aflow.in (260 atoms) files and computational results (140 atoms) for these large systems are located in the Fe2O3_MgTiO3 directory under Diamagnetic_magnetic/. Methodology The monolayer structures used in this study originate from two previous publications [1,2]. The primary data for this systems can be obtained via the following links: https://doi.org/10.14278/rodare.1421 https://doi.org/10.14278/rodare.1852 All heterostructures are generated by a custom “hetbuilder” implementation of the coincidence lattice method within the AFLOW software for materials design [3]. The AFLOW internal automatic determination of k-point sets is used in conjunction with an extension for 2D systems enabling only in-plane sampling. Further information will be available in the publication [4]. Most calculations were carried out using the AFLOW framework, which automated the execution of VASP calculations [5-9]. Partial charge density and HSE06 calculations were executed exclusively with VASP, independent of AFLOW. HSE06 runs were preformed using the pre-relaxed PBE(+U) structures. Shifted Fe2O3_MgTiO3 heterostructures were only vertically relaxed via selective dynamics. The dataset enables reproducibility of the results presented in the associated publication. https://rodare.hzdr.de/record/4653 10.14278/rodare.4653 oai:rodare.hzdr.de:4653 eng doi:10.17815/jlsrf-3-159 doi:10.1021/acs.nanolett.1c03841 doi:10.1002/aelm.202201112 doi:10.14278/rodare.1421 doi:10.14278/rodare.1852 url:https://www.hzdr.de/publications/Publ-41082 url:https://www.hzdr.de/publications/Publ-41218 doi:10.14278/rodare.3621 url:https://rodare.hzdr.de/communities/crc1415 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 2D materials non-van der Waals compounds heterostructures interface design magnetism data-driven research computational materials science high-throughput computing Data publication: Non-van der Waals Heterostructures info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:2420 2023-10-11T07:02:35Z openaire_data user-rodare user-matter user-fwi

Iurchuk, Vadym Kozlov, Oleksii Sorokin, Serhii Zhou, Shengqiang Lindner, Jürgen Reshetniak, Serhii Kravets, Anatolii Polishchuk, Dmytro Korenivski, Vladislav 2023-08-04 This dataset contains the experimental and analytical data used and discussed in the publication "All-Electrical Operation of a Curie Switch at Room Temperature" (Phys. Rev. Applied 20, 024009 – Published 3 August 2023). https://rodare.hzdr.de/record/2420 10.14278/rodare.2420 oai:rodare.hzdr.de:2420 url:https://www.hzdr.de/publications/Publ-37358 url:https://www.hzdr.de/publications/Publ-37306 doi:10.14278/rodare.2419 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Magnetoresistance Magnetic hysteresis Vibrating sample magnetometry Spin valve Thermomagnetic effects RKKY interaction Data publication: All-electrical operation of a Curie switch at room temperature info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:3346 2025-10-22T03:06:32Z openaire_data user-fwi user-rodare user-matter

El-Said, Ayman S. Facsko, Stefan 2024-12-18 Data for the manuscript "Fine_Tuning_of_Optical_Properties_by_Selective_Stopping_of_Energetic_Heavy_Ions" by Ayman S. El-Said, Zamzam Ibnu-Sina, Shavkat Akhmadaliev, René Heller ,René Hübner, Michael Sorokin, Stefan Facsko and Christina Trautmann raw data for: - optical UV-VIS measurements - RBS measurements - SRIM simulations - TEM images https://rodare.hzdr.de/record/3346 10.14278/rodare.3346 oai:rodare.hzdr.de:3346 doi:10.17815/jlsrf-3-159 url:https://www.hzdr.de/publications/Publ-40299 doi:10.14278/rodare.3345 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/restrictedAccess GaP SHI RBS UV-VIS SRIM Data to "Fine Tuning of Optical Properties by Selective Stopping of Energetic Heavy Ions info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:3418 2025-01-21T15:02:34Z openaire_data user-elbe user-matter user-rodare user-telbe

Feng, Liwen Kaiser, Stefan Deinert, Jan-Christoph Kovalev, Sergey 2025-01-21 This publication contains raw data and metadata (labbook entries) related to the The data for our NbSe2 paper were primarily collected during the beamtime starting on 2022-05-08 and 2021-08-11. Below are the specific details: (1) Figure 1: The data are from the beamtime starting on 2022-05-08: File numbers 046 to 064, measured on 2022-05-09. File numbers 093 to 108, measured on 2022-05-10. (2) Figure 2: he data are from the beamtime starting on 2021-08-11: File numbers 038 to 069, measured on 2021-08-14. files: From "038_300GHz_NbSe2-flake_WG90_gain20_2p79K_THG_20mW.0" to "069_300GHz_NbSe2-flake_WG90_gain20_44p6K_THG_21mW.0". (3) Figure 3: The data are also from the beamtime starting on 2021-08-11: File numbers 01 to 22, measured on 2021-08-15. files: From "01_Polarization_75K_W3_0_W2_45_Wsample_05.0" to "32_Polarization_4K_W3_90_W2_44_Wsample_05.0". https://rodare.hzdr.de/record/3418 10.14278/rodare.3418 oai:rodare.hzdr.de:3418 eng doi:10.17815/jlsrf-2-58 url:https://www.hzdr.de/publications/Publ-40753 url:https://www.hzdr.de/publications/Publ-38476 doi:10.14278/rodare.3417 url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare url:https://rodare.hzdr.de/communities/telbe info:eu-repo/semantics/restrictedAccess Terahertz Higgs spectroscopy Harmonic generation Ultrafast TELBE Primary experimental data: Dynamical interplay between superconductivity and charge density waves: A nonlinear terahertz study of coherently driven 2H−NbSe2 info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:2666 2025-04-07T13:37:37Z openaire_data user-matter user-rodare user-elbe user-pelbe

Banhart, John Yang, Zi Guo, Qianning Liu, Meng Butterling, Maik Liedke, Maciej Oskar Hirschmann, Eric Wagner, Andreas 2023-08-24 Experimentdaten der Positronen-Annihilationsspektroskopie https://rodare.hzdr.de/record/2666 10.14278/rodare.2666 oai:rodare.hzdr.de:2666 eng doi:10.17815/jlsrf-2-58 doi:10.1002/adem.202300490 url:https://www.hzdr.de/publications/Publ-38490 url:https://www.hzdr.de/publications/Publ-38489 doi:10.14278/rodare.2665 url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/pelbe url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode positron annihilation lifetime spectroscopy Al-Mg alloy ageing vacancy Data publication: In Situ Heating Positron Annihilation Lifetime Spectroscopy Experiments on an Al–Mg Alloy info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:2751 2025-04-01T12:38:17Z openaire_data user-fwi user-matter user-rodare user-ibc user-crc1415

Barnowsky, Tom Curtarolo, Stefano Krasheninnikov, Arkady Heine, Thomas Friedrich, Rico 2024-01-16 This dataset includes the primary research data for the publication "Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation". https://rodare.hzdr.de/record/2751 10.14278/rodare.2751 oai:rodare.hzdr.de:2751 eng doi:10.17815/jlsrf-3-159 url:https://www.hzdr.de/publications/Publ-37642 url:https://www.hzdr.de/publications/Publ-37645 doi:10.1021/acs.nanolett.3c04777 doi:10.14278/rodare.2496 url:https://rodare.hzdr.de/communities/crc1415 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 2D materials magnetism non-van der Waals compounds passivation data-driven research computational materials science high-throughput computing Data publication: Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:4187 2025-12-22T13:21:22Z openaire_data user-matter user-rodare

Steinbach, Peter 2025-12-15 This dataset simple_ARES.csv was generated with the open-source cheetah simulator for didactical purposes. To reproduce the dataset, do the following in a python 3.12 environment: 1. source .venv/bin/activate 2. uv sync 3. python ./generate_simple.py # or execute all cells in ./generate_simple.ipynb https://rodare.hzdr.de/record/4187 10.14278/rodare.4187 oai:rodare.hzdr.de:4187 url:https://www.hzdr.de/publications/Publ-42455 doi:10.14278/rodare.4186 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode machine learning particle accelerators beam control beam quality A dataset for exploring regression and classification of particle accelerator control and resulting beam positions info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:646 2021-11-02T19:11:00Z openaire_data openaire_data user-hzdr user-matter user-rodare

Ellis, J. A. Cangi, A. Modine, N. A. Stephens, J. A. Thompson, A. P. Rajamanickam, S. 2020-12-11 Output from electronic structure code (Quantum Espresso) that serves as training data for the machine-learning workflow of the related scientific publication (https://arxiv.org/abs/2010.04905). This is only a limited set of the entire output data. The remainder of the data will be made available at a later point once approval from the collaborating research institution (Sandia National Laboratories) has been granted. The source code of the associated machine learning framework will also be published at that stage. https://rodare.hzdr.de/record/646 10.14278/rodare.646 oai:rodare.hzdr.de:646 url:https://arxiv.org/abs/2010.04905 url:https://www.hzdr.de/publications/Publ-31857 url:https://www.hzdr.de/publications/Publ-31603 doi:10.14278/rodare.645 url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/restrictedAccess machine learning neural networks materials science density functional theory Accelerating Finite-temperature Kohn-Sham Density Functional Theory with Deep Neural Networks info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:4041 2025-10-20T12:13:54Z software user-matter user-rodare

Kakay, Attila Schneider, Tobias 2025-10-16 This is a mumax3 (https://mumax.github.io/) software extension to compute dispersion relations from the mumax3 simulations, especially designed to run on HPC (high-performance computing) clusters. For details on usage or maintenance please contact Dr. Attila Kákay at a.kakay@hzdr.de https://rodare.hzdr.de/record/4041 10.14278/rodare.4041 oai:rodare.hzdr.de:4041 url:https://www.hzdr.de/publications/Publ-41985 doi:10.14278/rodare.4040 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode spin-wave dispersion mumax3 Go-lang Software: mumax3-dispersion for HPC info:eu-repo/semantics/other software

oai:rodare.hzdr.de:4149 2025-11-25T07:36:57Z openaire_data user-matter user-rodare

Blaschke, David Röpke, Friedrich K. Röpke, Gerd 2025-11-21 We provide data tables for element abundances from cosmic stellar sources compared those from a heavy-element freeze-out (HEFO) nonequilibrium thermal model. The production of these data was supported by Polish NCN under grant No. 2021/43/P/ST2/03319, by a honorary stipend from the Foundation for Polish Science within the Alexander von Humboldt program under grant No. DPN/JJL/402-4773/2022, by the Klaus Tschira Foundation, by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) – RO 3676/7-1, project486 number 537700965, and by the European Union (ERC, ExCEED, project number 101096243). https://rodare.hzdr.de/record/4149 10.14278/rodare.4149 oai:rodare.hzdr.de:4149 url:https://www.hzdr.de/publications/Publ-42273 url:https://www.hzdr.de/publications/Publ-42129 doi:10.14278/rodare.4148 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode nucleosynthesis r-process solar abundances mass fractions of heavy nuclei galactic chemical evolution Data publication: Universality of heavy r-process element abundances from a freeze-out model info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:4661 2026-05-20T07:50:36Z openaire_data user-fwi user-hzdr user-ibc user-rodare user-elbe user-matter user-telbe

Jin, Kang Kober, Steffen Ilyakov, Igor Deinert, Jan-Christoph Lindner, Aleksandra Alicja Hübner, René Narkovic, Rysard Reinold, Anneke Pilch, Patrick Ponomaryov, Alexey de Oliveira, Thales Hellwig, Olav Faßbender, Jürgen Wang, Zhe Lindner, Jürgen Mährlein, Sebastian Frederick Kovalev, Sergey Salikhov, Ruslan 2026-05-13 Data set accompanying the manuscript "Ultrafast spin–orbit torques and spin–charge interconversion at oxidation‑tailored NiFe/oxide interfaces." It contains: Time‑resolved Faraday‑rotation traces for ultrafast SOT and PSSW measurements (main text Fig. 1; Supplementary Figs. S2, S3), recorded for opposite magnetic‑field directions and both front‑ and back‑side THz illumination. Time‑resolved spintronic THz second‑harmonic generation (ST‑SHG) traces and their processed (band‑pass‑filtered) counterparts (Figs. 2,3; Supplementary Figs. S5, S6), including measurements for different capping oxides and reference Py/Pt samples. THz emission waveforms for laser‑driven spintronic THz emitters (Fig. 3; Supplementary Fig. S7), recorded for opposite magnetization directions. Ultrafast unidirectional spin Hall magnetoresistance (USMR) measured in the form of second‑harmonic generation (USMR‑SHG; Supplementary Fig. S8), recorded for opposite magnetization directions. STEM–EDXS line‑profile data for interfacial oxidation analysis (Fig. 4). THz transmission data used to extract THz‑induced current densities (Supplementary Figs. S9; Supplementary Tables S2, S3). Each data file is accompanied by a brief description of the sample, geometry, and measurement conditions. https://rodare.hzdr.de/record/4661 10.14278/rodare.4661 oai:rodare.hzdr.de:4661 eng url:https://www.hzdr.de/publications/Publ-43394 url:https://www.hzdr.de/publications/Publ-43392 doi:10.14278/rodare.4660 url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare url:https://rodare.hzdr.de/communities/telbe info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode THz spintronics Ultrafast spin-orbit torques Single ferromagnetic layer torque Ultrafast spin-to-charge interconversion spin/orbit Rashba-Edelstein effects Ultrafast spin-orbit torques and spin-charge interconversion at oxidation-tailored NiFe/oxide interfaces info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:4687 2026-06-09T16:05:27Z software user-crc1415 user-fwi user-ibc user-matter user-rodare

Barnowsky, Tom Friedrich, Rico 2026-06-02 FINDSLAB: Software for Exfoliation and Cleavage of Crystals Tom Barnowsky & Rico Friedrich Technische Universität Dresden & Helmholtz-Zentrum Dresden-Rossendorf, Germany This program implements the XCP method to identify 2D materials from bulk materials by estimating bonding energies using a two-body potential model [1]. Potential Models The code supports a range of two-body potential parametrizations \(V(r)\), namely: Lennard-Jones + Yukawa Morse + Yukawa Mie + Yukawa Parameters are provided as plain text files which are specified via the environment variable `FINDSLAB_POTDATA`. Note that all energies have to be multiplied by a factor two to compare to surface/bonding energies. Build Run `make` serially (without `-j n`). A binary will be created in the `bin` directory. Requirements: a recent Fortran compiler, BLAS and LAPACK. Usage FINDSLAB provides some instructions when running `findslab --help`. The code is designed to work with VASP POSCAR files, however, the reader is not fully general and expects the formatting as it is found in the AFLOW database (aflow.org) [2]. To convert general structure files (including those from other codes) to this format, use the AFLOW software to run `aflow --vasp`. The aflow code is available at github.com/aflow-org/aflow. Here we provide an example code to determine HKLSEARCH slabs from bulk Ca3N2 retrieved via the AFLOW REST API [3]: export FINDSLAB_POTDATA=<path to file> export OPENBLAS_NUM_THREADS=1 curl http://aflowlib.duke.edu/AFLOWDATA/ICSD_WEB/HEX/Ca3N2_ICSD_169727/CONTCAR.relax.vasp | aflow --sconv | findslab --hklsearch Conversion to the conventional unit cell via `aflow --sconv` is optional and is only used here to relate Miller indices to the conventional cell. Release Notes v1.1: Included Morse+Yukawa potential data with code. Fixed crashes occurring at very low spacing between parallel high-index lattice planes. v1.0: Initial release. Acknowledgements The authors thank Carsten Timm, Steve Schmerler, and Moritz Leucke for fruitful discussions. Parts of this work are based on an implementation for creating Miller planes from the atomic simulation environment (ASE) [4]. Additionally, we implement the criterion of Mounet et al. [5] to identify van der Waals-bound layers in bulk structures. License This dataset is published under the Apache 4.0 license. We kindly ask works based on this software to cite this entry and/or the associated publication. FINDSLAB provides the calculation backend for xcp.hzdr.de, which offers an interactive interface to explore the implemented approaches. https://rodare.hzdr.de/record/4687 10.14278/rodare.4687 oai:rodare.hzdr.de:4687 eng doi:10.1007/s44210-025-00058-2 doi:10.1016/j.commatsci.2014.05.014 doi:10.1088/1361-648X/aa680e doi:10.1038/s41565-017-0035-5 url:https://www.hzdr.de/publications/Publ-42447 doi:10.48550/arXiv.2512.16721 doi:10.14278/rodare.4180 url:https://rodare.hzdr.de/communities/crc1415 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://opensource.org/licenses/Apache-2.0 2D materials non-van der Waals compounds computational materials science FINDSLAB: Software for Exfoliation and Cleavage of Crystals info:eu-repo/semantics/other software

oai:rodare.hzdr.de:116 2019-03-06T14:02:35Z openaire_data user-ecfunded user-health user-hzdr user-matter user-rodare

Huebl, Axel Rehwald, Martin Obst-Huebl, Lieselotte Ziegler, Tim Garten, Marco Widera, René Zeil, Karl Cowan, Thomas E. Bussmann, Michael Schramm, Ulrich Kluge, Thomas 2019-03-06 Supplementary materials for our paper "Spectral Control via Multi-Species Effects in PW-Class Laser-Ion Acceleration". Additional high-resolution, raw HDF5 files using the openPMD standard (DOI:10.5281/zenodo.1167843) increase simulation output data to 4.7 TByte and are available from the corresponding author upon reasonable request. This project received funding within the MEPHISTO project (BMBF-Förderkennzeichen 01IH16006C). https://rodare.hzdr.de/record/116 10.14278/rodare.116 oai:rodare.hzdr.de:116 eng info:eu-repo/grantAgreement/EC/H2020/654148/ url:https://www.hzdr.de/publications/Publ-28969 doi:10.14278/rodare.115 url:https://rodare.hzdr.de/communities/ecfunded url:https://rodare.hzdr.de/communities/health url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-sa/4.0/legalcode LPA laser-ion acceleration TNSA multi-species cryogenic target particle-in-cell Supplementary Data: Spectral Control via Multi-Species Effects in PW-Class Laser-Ion Acceleration info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:330 2024-08-13T12:21:42Z user-matter user-hzdr user-rodare user-fwi user-ibc

Huang, Tao Gobeil, Sophie Wang, Xu Misko, Vyacheslav Nori, Franco Malsche, Wim de Faßbender, Jürgen Makarov, Denys Cuniberti, Gianaurelio Baraban, Larysa 2020-05-18 Synthetic nano- and micromotors interact with each other and their surroundings in a complex manner. Here, we report on the anisotropy of active-passive particle interaction in a soft matter system containing an immobile yet photochemical Ag/AgCl-based Janus particle embedded in a dense matrix of passive beads in pure water. The asymmetry in the chemical gradient around the Janus particle, triggered upon visible light illumination, distorts the isotropy of the surrounding electric potential and results in the repulsion of adjacent passive beads to a certain distance away from the Janus particle. This exclusion effect is found to be anisotropic with larger distances to passive beads in front of the Ag/AgCl cap of the Janus particle. We provide insight into this phenomenon by performing the angular analysis of the radii of exclusion and tracking their time evolution at the level of a single bead. Our study provides a novel fundamental insight into the collective behavior of a complex mixture of active and passive particles and is relevant for various application scenarios, e.g., particle transport at micro- and nanoscale and local chemical sensing. https://rodare.hzdr.de/record/330 10.14278/rodare.330 oai:rodare.hzdr.de:330 url:https://www.hzdr.de/publications/Publ-30943 url:https://www.hzdr.de/publications/Publ-31046 doi:10.14278/rodare.329 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode photocatalytic reaction micro and nanomotors visible light active Janus particles spherical colloidal particles exclusion phenomena Anisotropic exclusion effect between photocatalytic Ag/AgCl Janus particles and passive beads in a dense colloidal matrix info:eu-repo/semantics/other video

oai:rodare.hzdr.de:296 2020-10-30T12:56:10Z openaire_data user-energy user-hzdr user-matter user-rodare

Estevenon, Paul Welcomme, Eléonore Tamain, Christelle Jouan, Gauthier Szenknect, Stéphanie Mesbah, Adel Poinssot, Christophe Moisy, Philippe Dacheux, Nicolas 2020-04-20 Attempts to synthesize plutonium (IV) silicate, PuSiO4, have been performed on the basis of the results recently reported in the literature for CeSiO4, ThSiO4 and USiO4 under hydrothermal conditions. Although it was not possible to prepare PuSiO4 by applying the conditions reported for thorium and uranium, an efficient way of PuSiO4 synthesis was established following those optimized for CeSiO4 system. This method was based on the slow oxidation of plutonium (III) silicate reactants under hydrothermal conditions at 150°C in hydrochloric acid (pH = 3 – 4). This result shed a new light on the potential behavior of plutonium in reductive environment, highlighted the representativeness of cerium surrogates to study plutonium in such conditions and brought some important pieces of information on plutonium chemistry in silicate solutions. https://rodare.hzdr.de/record/296 10.14278/rodare.296 oai:rodare.hzdr.de:296 eng url:https://www.hzdr.de/publications/Publ-31040 url:https://www.hzdr.de/publications/Publ-30869 doi:10.14278/rodare.295 url:https://rodare.hzdr.de/communities/energy url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/closedAccess Formation of PuSiO4 under hydrothermal conditions info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:409 2023-02-16T07:55:11Z openaire_data user-matter user-rodare

Dornheim, Tobias 2020-08-03 This repository contains the PIMC raw data for the actual density response of the harmonically perturbed electron gas. The data can be freely re-used. Please cite: T. Dornheim, J. Vorberger, and M. Bonitz, Nonlinear Electronic Density Response in Warm Dense Matter, Phys. Rev. Lett. (in press), arXiv:2004.03229 https://rodare.hzdr.de/record/409 10.14278/rodare.409 oai:rodare.hzdr.de:409 arxiv:arXiv:2004.03229 doi:10.1103/PhysRevLett.125.085001 url:https://www.hzdr.de/publications/Publ-31390 url:https://www.hzdr.de/publications/Publ-31377 doi:10.14278/rodare.408 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode PIMC density response warm dense matter PIMC data for the nonlinear electronic density response in warm-dense matter (WDM) info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:753 2021-01-20T13:23:22Z user-matter user-rodare

Fouilloux, Anne Steinbach, Peter 2020-09-08 This talk summarizes the experiences made with teaching Machine Learning within compact events that stretch over several days to a week maximum. Both speakers explain pitfalls they were caught in as well as solutions they found. This talk was given at the Teaching Machine Learning workshop at ECML-PKDD 2020. For more details and information see https://teaching-ml.github.io/2020/ The talk was created in a collaborative fashion on hackmd.io Therefor this contains the final pdf of the slides and the markdown file. https://rodare.hzdr.de/record/753 10.14278/rodare.753 oai:rodare.hzdr.de:753 url:https://www.hzdr.de/publications/Publ-32121 doi:10.14278/rodare.752 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode teaching compact courses machine learning artificial intelligence Teaching ML in Compact Courses info:eu-repo/semantics/other other

oai:rodare.hzdr.de:1511 2022-04-05T09:40:36Z openaire_data user-hzdr user-matter user-rodare

Steiniger, Klaus Widera, René Young, Jeff 2022-04-01 Data of the PIConGPU simulations as used in the publication: EZ: An Efficient, Charge Conserving Current Deposition Algorithm for Electromagnetic Particle-In-Cell Simulations Data overview: picongpu_source.zip: source code forked from the PIConGPU mainline version 0.7.0-dev used input set `share/picongpu/examples/PaperThermal` runs_charge_conservation.zip: output including hdf5 dumps to validate charge conservation property for the PaperThermal setup (warm plasma) runs_performance.zip: simulation timings output for Spock CPU, Spock GPU and Summit GPU runs runs_profiling.zip: profile data for Spock GPU and Summit GPU runs runs_singleParticleTest.zip: output including hdf5 dumps to validate charge conservation property for the single particle test analysis_scripts.zip: jupyter notebooks for setup and analysis of PaperThermal setup python script to plot charge conservation from hdf5 simulation output over time bash script for statistical analysis of performance runs https://rodare.hzdr.de/record/1511 10.14278/rodare.1511 oai:rodare.hzdr.de:1511 eng url:https://www.hzdr.de/publications/Publ-34475 url:https://www.hzdr.de/publications/Publ-34476 doi:10.14278/rodare.1510 url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode EZ charge conservation current deposition PIConGPU particle-in-cell profiling CUDA HIP NVIDIA AMD Spock Summit HPC EZ publication: source code, profiling, analysis and simulation data info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:1210 2024-08-12T13:26:33Z openaire_data user-matter user-rodare user-fwi user-ibc

Erb, Denise Myint, Peco Evans-Lutterodt, Kenneth Ludwig, Karl Facsko, Stefan 2022-12-31 experimental raw data: in-situ Grazing Incidence Small Angle X-ray Scattering (GISAXS), ex-situ Atomic Force Microscopy (AFM); simulated raw data: surface topography (RIDO) https://rodare.hzdr.de/record/1210 10.14278/rodare.1210 oai:rodare.hzdr.de:1210 url:https://www.hzdr.de/publications/Publ-33171 url:https://www.hzdr.de/publications/Publ-33255 doi:10.14278/rodare.1209 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Data publication: In-situ GISAXS observation of ion-induced nanoscale pattern formation on crystalline Ge(001) in the reverse epitaxy regime info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:2677 2024-08-12T09:35:38Z openaire_data user-hzdr user-fwi user-matter user-rodare user-ibc

Bejarano, Mauricio Goncalves, Francisco J. T. Hache, Toni Hollenbach, Michael Heins, Christopher Hula, Tobias Körber, Lukas Heinze, Jakob Berencen, Yonder Helm, Manfred Faßbender, Jürgen Astakhov, Georgy Schultheiß, Helmut 2024-01-18 Experimental data was obtained via Brillouin light scattering microscopy and optically-detected magnetic resonance (ODMR) spectroscopy. Complementarily, micromagnetic simulation data was obtained with the program mumax3 and also additional analytical calculations were performed. https://rodare.hzdr.de/record/2677 10.14278/rodare.2677 oai:rodare.hzdr.de:2677 eng doi:10.17815/jlsrf-3-159 url:https://www.hzdr.de/publications/Publ-38555 url:https://www.hzdr.de/publications/Publ-38554 doi:10.14278/rodare.2676 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode magnons qubit ODMR BLS Data for: Parametric magnon transduction to spin qubits info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:3327 2024-12-11T16:18:52Z openaire_data user-elbe user-matter user-pelbe user-rodare

Wilflingseder, Christoph Aberl, Johannes Prado Navarrete, Enrique Hesser, Guenter Groiss, Heiko Liedke, Maciej Oskar Butterling, Maik Wagner, Andreas Hirschmann, Eric Corley-Wiciak, Cedric Zoellner, Marvin Capellini, Giovanni Fromherz, Thomas Brehm, Moritz 2024-12-11 The data set consists of the raw and analysis data. Positron annihilation lifetime spectroscopy depth profiles were measured at the positron ELBE during the PI beamtime on November 2023 (POS23203233). MBE deposited Ge layers at temperatures of 100°C - 350°C have been evaluated concerning defect microstructure. The most dominant defect, namely Ge vacancy, has been evidenced independently on the temperature conditions. The results support the main claim of the manuscript, feasibility of the low temperature growth approach to Ge. https://rodare.hzdr.de/record/3327 10.14278/rodare.3327 oai:rodare.hzdr.de:3327 eng doi:10.17815/jlsrf-2-58 url:https://www.hzdr.de/publications/Publ-40173 url:https://www.hzdr.de/publications/Publ-40037 doi:10.14278/rodare.3326 url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/pelbe url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Germanium defects positron annihilation spectroscopy MBE low temperature growth Ge-vacancy Data publication: Ge epitaxy at ultra-low growth temperatures enabled by a pristine growth environment info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:2361 2024-08-12T07:59:56Z software user-matter user-rodare user-elbe user-draco-elbe

Pausch, Richard Chang, Yen-Yu 2023-07-03 This repository contains the exact PIConGPU version used for all simulations in the paper "Reduction of the electron beam divergence of laser wakefield-accelerators by integrated plasma lenses" and both setups for the case with and without plasma lens. Here, only the authors of the setup are listed. PIConGPU has many more authors that can be found under: https://github.com/ComputationalRadiationPhysics/picongpu or (latest stable release: https://doi.org/10.5281/zenodo.5795557) https://rodare.hzdr.de/record/2361 10.14278/rodare.2361 oai:rodare.hzdr.de:2361 eng doi:10.17815/jlsrf-2-58 url:https://www.hzdr.de/publications/Publ-37215 doi:10.14278/rodare.2360 url:https://rodare.hzdr.de/communities/draco-elbe url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://opensource.org/licenses/LGPL-3.0 PIConGPU LWFA plasma lens Simulation code (PIConGPU) and setup for: Reduction of the electron beam divergence of laser wakefield-accelerators by integrated plasma lenses info:eu-repo/semantics/other software

oai:rodare.hzdr.de:3622 2026-06-02T09:35:49Z openaire_data user-crc1415 user-fwi user-hzdr user-ibc user-matter user-rodare

Nihei, Anastasiia Barnowsky, Tom Friedrich, Rico Nihei, Anastasiia Barnowsky, Tom Friedrich, Rico 2025-03-10 This dataset includes the primary research data for the publication "Non-van der Waals Heterostructures". https://rodare.hzdr.de/record/3622 10.14278/rodare.3622 oai:rodare.hzdr.de:3622 eng doi:10.17815/jlsrf-3-159 doi:10.1021/acs.nanolett.1c03841 doi:10.1002/aelm.202201112 doi:10.14278/rodare.1421 doi:10.14278/rodare.1852 url:https://www.hzdr.de/publications/Publ-41082 url:https://www.hzdr.de/publications/Publ-41218 doi:10.14278/rodare.3621 url:https://rodare.hzdr.de/communities/crc1415 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 2D materials non-van der Waals compounds heterostructures interface design magnetism data-driven research computational materials science high-throughput computing Data publication: Non-van der Waals Heterostructures info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:3552 2025-01-29T12:54:14Z openaire_data user-matter user-rodare

Schmidtpeter, Jan Das, Proloy Taran Zabila, Yevhen Schubert, Conrad Gundrum, Thomas Wondrak, Thomas Makarov, Denys 2025-01-28 This entry includes the data presented in the publication "Exchange-Biased Multiring Planar Hall Magnetoresistive Sensors With Nanotesla Resolution in Nonshielded Environments" https://rodare.hzdr.de/record/3552 10.14278/rodare.3552 oai:rodare.hzdr.de:3552 eng url:https://www.hzdr.de/publications/Publ-40881 url:https://www.hzdr.de/publications/Publ-39356 doi:10.14278/rodare.3551 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Magnetic Sensors Planar Hall Effect Noise Spectral Density Data publication: Exchange-Biased Multiring Planar Hall Magnetoresistive Sensors With Nanotesla Resolution in Nonshielded Environments info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:892 2023-02-17T08:50:03Z software user-matter user-rodare

Pausch, Richard Köhler, Alexander Bastrakov, Sergei Bussmann, Michael Couperus Cabadağ, Jurjen Pieter Irman, Arie Steiniger, Klaus Widera, René Debus, Alexander 2021-03-23 This repository contains the PIConGPU source code and setup files used for the "Minimizing transverse phase space effects on beam-loaded laser-wakefield accelerated electron beams" paper. https://rodare.hzdr.de/record/892 10.14278/rodare.892 oai:rodare.hzdr.de:892 url:https://www.hzdr.de/publications/Publ-32465 doi:10.14278/rodare.891 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://opensource.org/licenses/GPL-3.0 PIConGPU HPC LWFA LWFA PIConGPU setup for minimizing transverse phase space effects paper info:eu-repo/semantics/other software

oai:rodare.hzdr.de:1206 2021-10-13T12:56:36Z user-hzdr user-matter user-fwk user-rodare

Marre, Brian Edward 2021-10-07 Master Thesis discussing approaches to including atomic physics in PIC simulations for transient non-thermal plasmas and developing new approaches and algorithms for doing so. https://rodare.hzdr.de/record/1206 10.14278/rodare.1206 oai:rodare.hzdr.de:1206 eng url:https://www.hzdr.de/publications/Publ-33221 doi:10.14278/rodare.1202 url:https://rodare.hzdr.de/communities/fwk url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode PIC atomic physics picongpu plasma Particle in Cell simulation Markov-Chain rate solver Monte-Carlo rate solver Coupling of atomic states to particle in cell simulations info:eu-repo/semantics/other other

oai:rodare.hzdr.de:277 2024-08-08T10:42:25Z openaire_data user-matter user-rodare user-elbe

Chu, Hao Kim, Min-Jae Katsumi, Kota Kovalev, Sergey Dawson, Robert David Schwarz, Lukas Yoshikawa, Naotaka Kim, Gideok Putzky, Daniel Li, Zhi Zhong Raffy, Hélène Germanskiy, Semen Deinert, Jan-Christoph Awari, Nilesh Ilyakov, Igor Green, Bertram Windisch Chen, Min Bawatna, Mohammed Christiani, Georg Logvenov, Gennady Gallais, Yann Boris, Alexander V. Keimer, Bernhard Schnyder, Andreas Manske, Dirk Gensch, Michael Wang, Zhe Shimano, Ryo Kaiser, Stefan 2020-04-15 In high energy physics, the Higgs field couples to gauge bosons and fermions and gives mass to their elementary excitations. Experimentally, such couplings can be verified from the decay product of the Higgs boson, the scalar (amplitude) excitation of the Higgs field. In superconductors, Cooper pairs bear a certain analogy to the Higgs field. Coulomb interactions between the Cooper pairs give mass to the electromagnetic field, which leads to the Meissner effect. Additional coupling with other types of interactions or collective modes is foreseeable, and even highly probable for high-Tc superconductors, where multiple degrees of freedom are intertwined. The superconducting Higgs mode may reveal such couplings spectroscopically and uncover interactions directly relevant to Cooper pairing. To this end, we investigate the Higgs mode of several cuprate thin films using phase-resolved terahertz third harmonic generation (THG) to. In addition to the heavily damped Higgs mode itself, we observe a universal jump in the phase of the driven Higgs oscillation as well as a non-vanishing THG above Tc. These findings indicate coupling of the Higgs mode to other collective modes and a nonzero pairing amplitude above Tc. Our study demonstrates a new approach for investigating unconventional superconductivity. We foresee a fruitful future for phase-resolved spectroscopy in various superconducting systems. https://rodare.hzdr.de/record/277 10.14278/rodare.277 oai:rodare.hzdr.de:277 url:https://www.hzdr.de/publications/Publ-29647 url:https://www.hzdr.de/publications/Publ-30902 doi:10.14278/rodare.276 url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Superconductors terahertz Higgs Nonlinear dynamics ultrafast Phase-resolved Higgs response in superconducting cuprates info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:2678 2025-04-01T12:38:16Z openaire_data user-fwi user-matter user-rodare user-ibc user-crc1415

Barnowsky, Tom Curtarolo, Stefano Krasheninnikov, Arkady Heine, Thomas Friedrich, Rico 2024-01-16 This dataset includes the primary research data for the publication "Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation". https://rodare.hzdr.de/record/2678 10.14278/rodare.2678 oai:rodare.hzdr.de:2678 eng doi:10.17815/jlsrf-3-159 url:https://www.hzdr.de/publications/Publ-37642 url:https://www.hzdr.de/publications/Publ-37645 doi:10.14278/rodare.2496 url:https://rodare.hzdr.de/communities/crc1415 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/restrictedAccess 2D materials magnetism non-van der Waals compounds passivation data-driven research computational materials science high-throughput computing Data publication: Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:886 2021-11-22T12:19:57Z openaire_data user-matter user-casus user-rodare

Vorberger, Jan Militzer, Burkhard Massacrier, Gerard Soubiran, Francois Böhme, Maximilian 2021-11-19 Average atom (AA) models allow one to efficiently compute electronic and optical properties of materials over a wide range of conditions and are often employed to interpret experimental data. However, at high pressure, predictions from AA models have been shown to disagree with results from ab initio computer simulations. We represent a new innovative AA model, AvIon, that computes the electronic eigenstates with novel boundary conditions within the ion sphere. Bound and free states are derived consistently. We drop the common AA assumption that the free-particle spectrum starts at the potential threshold, which we found to be incompatible with ab initio calculations. We perform ab initio simulations of crystalline and liquid carbon and aluminum over a wide range of densities and show that the computed band structure is in very good agreement with predictions from AvIon. This data-set contains all the data that has been contributed from my part to the referenced publication. https://rodare.hzdr.de/record/886 10.14278/rodare.886 oai:rodare.hzdr.de:886 eng url:https://www.hzdr.de/publications/Publ-32435 url:https://www.hzdr.de/publications/Publ-31149 doi:10.14278/rodare.885 url:https://rodare.hzdr.de/communities/casus url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode DFT/DFT-MD IPD Publication Data info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:2359 2024-08-12T08:00:16Z software user-matter user-rodare user-elbe user-draco-elbe

Pausch, Richard Chang, Yen-Yu 2023-07-03 This is a jupyter notebook used to analyze the LWFA plasma lens simulations ran at summit ORNL. https://rodare.hzdr.de/record/2359 10.14278/rodare.2359 oai:rodare.hzdr.de:2359 eng doi:10.17815/jlsrf-2-58 url:https://www.hzdr.de/publications/Publ-37214 doi:10.14278/rodare.2358 url:https://rodare.hzdr.de/communities/draco-elbe url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://opensource.org/licenses/LGPL-3.0 PIConGPU LWFA plasma lense Simulation analysis for: Reduction of the electron beam divergence of laser wakefield-accelerators by integrated plasma lenses info:eu-repo/semantics/other software

oai:rodare.hzdr.de:580 2023-02-16T07:56:13Z software software software software software software software software software software software software software software software software software software software software software software software user-matter user-rodare

Pausch, Richard Debus, Alexander Steiniger, Klaus Widera, René 2020-11-10 This is the PIConGPU source code and setup files for generating PWFA simulations. This setup was used to study wake elongation. This is a simulation setup accompanying a experimental study. https://rodare.hzdr.de/record/580 10.14278/rodare.580 oai:rodare.hzdr.de:580 eng url:https://www.hzdr.de/publications/Publ-31697 doi:10.14278/rodare.579 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://opensource.org/licenses/GPL-3.0 PIConGPU PWFA PIConGPU setup: PWFA simulations info:eu-repo/semantics/other software

oai:rodare.hzdr.de:840 2023-02-16T08:06:55Z software user-matter user-rodare

Pausch, Richard Couperus Cabadag, Jurjen Pieter Bastrakov, Sergei Bussmann, Michael Irman, Arie Kurz, Thomas Schöbel, Susanne Schramm, Ulrich Steiniger, Klaus Ufer, Patrick Widera, René Debus, Alexander 2021-03-09 PIConGPU source code and setup files used for the LPWFA downramp injection simulation study https://rodare.hzdr.de/record/840 10.14278/rodare.840 oai:rodare.hzdr.de:840 doi:10.5281/zenodo.3875374 url:https://www.hzdr.de/publications/Publ-32392 doi:10.14278/rodare.839 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://opensource.org/licenses/GPL-3.0 PIConGPU LWFA PWFA LPWFA hybrid PIConGPU setup: LPWFA downramp injection info:eu-repo/semantics/other software

oai:rodare.hzdr.de:1404 2023-01-27T12:55:20Z openaire_data user-matter user-casus user-rodare

Gidopoulos, Nikitas Callow, Timothy James Pearce, Benjamin 2022-03-08 Data for the figures of the main paper (https://aip.scitation.org/doi/10.1063/5.0071991) and supplementary information, arranged by figure number. Notes: - A few energies are given as identically zero. These are not actually zero but did not converge. - All data is given in the units in which it appears in the paper, and columns are labelled using the same notation as in the paper. https://rodare.hzdr.de/record/1404 10.14278/rodare.1404 oai:rodare.hzdr.de:1404 doi:10.1063/5.0071991 url:https://aip.scitation.org/doi/10.1063/5.0071991 url:https://www.hzdr.de/publications/Publ-33603 url:https://www.hzdr.de/publications/Publ-34357 url:https://www.hzdr.de/publications/Publ-33603 doi:10.14278/rodare.1403 url:https://rodare.hzdr.de/communities/casus url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Data publication: Density functionals with spin-density accuracy for open shells info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:1687 2022-06-10T11:17:34Z openaire_data user-matter user-rodare

Zhdanov, Maksim Ganeva, Marina Randolph, Lisa Kluge, Thomas Hoffmann, Nico 2022-06-07 The dataset consists of 50000 X-ray diffraction patterns simulated by BornAgain [1] software. For each simulation, a multilayer sample model of the following structure was used: air, tantalum oxide, silicon dioxide, and substrate. Parameters of each layer but tantalum oxide were kept fixed. Hence, each diffraction pattern depends on the parameters of the tantalum oxide layer: real and complex part of refractive index, thickness, roughness, Hurst parameter, and correlation length. Each simulation output is stored in an h5py file consisting of 1) diffraction image as a NumPy array of shape [1024, 512]; 2) sample parameters as a NumPy array with 6 elements. For further details regarding simulation, see https://github.com/maxxxzdn/gisaxs-reconstruction/simulation/simulation. [1] Pospelov, G., Van Herck, W., Burle, J., Carmona Loaiza, J.M., Durniak, C., Fisher, J., Ganeva, M., Yurov, D., & Wuttke, J. (2020). BornAgain: software for simulating and fitting grazing-incidence small-angle scattering. Journal of Applied Crystallography, 53, 262 - 276. https://rodare.hzdr.de/record/1687 10.14278/rodare.1687 oai:rodare.hzdr.de:1687 url:https://www.hzdr.de/publications/Publ-34769 doi:10.14278/rodare.1686 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode GISAXS Inverse problems Dataset for Inversion of GISAXS data (1 layer) info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:1432 2022-09-19T11:55:40Z openaire_data user-fwi user-matter user-rodare

Hula, Tobias Schultheiß, Katrin Trindade Goncalves, Francisco José Körber, Lukas Bejarano, Mauricio Copus, Matthew Flacke, Luis Liensberger, Lukas Buzdakov, Aleksandr Kakay, Attila Weiler, Mathias Camley, Robert Faßbender, Jürgen Schultheiß, Helmut 2022-02-01 Data were obtained by means of Brillouin light scattering microscopy, micro magnetic simulations in MuMax3 and analytic calculations. https://rodare.hzdr.de/record/1432 10.14278/rodare.1432 oai:rodare.hzdr.de:1432 url:https://www.hzdr.de/publications/Publ-34210 url:https://www.hzdr.de/publications/Publ-32565 doi:10.14278/rodare.1431 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Brillouin light scattering micro magnetic simulations spin waves magnons nonlinear Data for: Spin-wave frequency combs info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:4489 2026-02-02T13:57:39Z user-rodare user-matter user-fwk

Tiebel, Jessica Pausch, Richard Widera, René 2026-01-30 PIConGPU setup to simulate self-truncated ionization-injection. Gas Profile ist doped with nitrogen and has a subsequent background plasma. Using PIConGPU buildiung on version 0.8.0 (last commit hash 7f859f1569fca73c3093650705626dba406559b2) https://rodare.hzdr.de/record/4489 10.14278/rodare.4489 oai:rodare.hzdr.de:4489 url:https://www.hzdr.de/publications/Publ-42937 doi:10.14278/rodare.4488 url:https://rodare.hzdr.de/communities/fwk url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://opensource.org/licenses/GPL-3.0 PIConGPU Laser Wakefield Accelerators Self-Truncated Ionization-Injection PIConGPU setup for investigating STII in LWFA info:eu-repo/semantics/other other

oai:rodare.hzdr.de:3229 2024-11-18T07:22:48Z user-fwi user-ibc user-matter user-rodare

Herrer, Lucía Hlawacek, Gregor 2024-10-25 All Images produced by the Helium Ion Microscope (*.czi) including the pattering files created by NPVE from FIBICS (tif and xml) https://rodare.hzdr.de/record/3229 10.14278/rodare.3229 oai:rodare.hzdr.de:3229 doi:10.17815/jlsrf-3-159 doi:10.1039/d4nr02680b url:https://www.hzdr.de/publications/Publ-39807 url:https://www.hzdr.de/publications/Publ-39806 doi:10.14278/rodare.3228 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Data publication: Fabrication of palladium-enriched metallic structures by direct focused He+ and Ne+ beam nanowriting from organometallic thin films: a com- parison with Ga+ and e− beams info:eu-repo/semantics/other image-figure

oai:rodare.hzdr.de:2622 2024-01-02T06:52:31Z user-hzdr user-matter user-rodare

Sun, Xiaoxiao Hilliard, Donovan Chatzopoulou, P. Vasileiadis, I. Florini, N. Dimitrakopulos, G. Komninou, P. Lymperakis, L. Devulapalli, V. Liebscher, C. Pashkin, Oleksiy Winnerl, Stephan Helm, Manfred Dimakis, Emmanouil 2023-12-22 Strain engineering is a powerful tool for designing nanowires with tailored properties for a variety of applications. By carefully controlling the built-in strain in nanowires, it is possible to tune their bandgap to the near-infrared region, making them ideal for applications in telecommunication and imaging. In our previous work, we demonstrated that in GaAs/In x Al 1-x As core/shell nanowires, the bandgap of the core can be narrowed by up to 40%, for x up to 0.54, via strain due to the lattice mismatch between the shell [1]. Here, we explored the upper end of the lattice mismatch regime, extending the same concept to the contents of the shell towards x = 1, achieving unusually high strain values. The strain in the core and its effect on band structure are studied by a combination of spectroscopic methods and high-resolution transmission and scanning-transmission electron microscopy (HR(S)TEM). Raman spectroscopy showed that the tensile strain in the GaAs core increased linearly with increasing the In content in the shell (Fig. 1a), following the trend we reported in the past for lower values of x [1]. This behavior suggests the absence of plastic relaxation despite the very large lattice mismatch between the core and the shell. Using cross-sectional and longitudinal HR(S)TEM observations, we assessed the strain distribution normal and along the nanowire axis (Figs. 1b to 1d), which was found to be in good agreement with finite element and molecular dynamics simulations. Above a critical x value, plastic relaxation sets in via dislocations (Fig. 1b). We also correlated the photoluminescence emission properties with the strain distribution in the core and the shell, and the corresponding band alignment via band structure simulations. All in all, our results identified the limits of a coherent core and shell heterostructures and the potential application of tensile-strained GaAs nanowires for C- and O-band telecom photonics. https://rodare.hzdr.de/record/2622 10.14278/rodare.2622 oai:rodare.hzdr.de:2622 eng url:https://www.hzdr.de/publications/Publ-38279 doi:10.14278/rodare.2621 url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode nanowire photonics strain engineering GaAs Unlocking the potential of GaAs nanowires for telecom photonics info:eu-repo/semantics/other image-plot

oai:rodare.hzdr.de:3161 2024-09-26T12:21:24Z openaire_data user-matter user-rodare user-felbe user-elbe

Han, Jeong Woo Sai, Pavlo But, Dmytro Uykur, Ece Winnerl, Stephan Kumar, Gagan Chin, Matthew L. Myers-Ward, Rachael L. Dejarld, Matthew T. Daniels, Kevin M. Murphy, Thomas E. Knap, Wojciech Mittendorff, Martin 2024-09-26 In the zip file all metadata and raw data of experiements and simulations are collected and sorted into different folders https://rodare.hzdr.de/record/3161 10.14278/rodare.3161 oai:rodare.hzdr.de:3161 doi:10.1038/s41467-023-43412-x url:https://www.hzdr.de/publications/Publ-39665 url:https://www.hzdr.de/publications/Publ-37544 doi:10.14278/rodare.3160 url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/felbe url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/restrictedAccess Transient magnetic fields Faraday rotation Graphene Plasmonics Data publication: Strong transient magnetic fields induced by THz-driven plasmons in graphene disks info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:2311 2024-08-12T08:00:41Z openaire_data user-rodare user-matter user-fwk user-elbe user-draco-elbe

Rehwald, Martin Assenbaum, Stefan Bernert, Constantin Brack, Florian-Emanuel Bussmann, Michael Cowan, Thomas Curry, Chandra B. Fiuza, Frederico Garten, Marco Gaus, Lennart Gauthier, Maxence Göde, Sebastian Göthel, Ilja Glenzer, Siegfried H. Huang, Lingen Hübl, Axel Kim, Jongjin B. Kluge, Thomas Kraft, Stephan Kroll, Florian Metzkes-Ng, Josefine Miethlinger, Thomas Löser, Markus Obst-Huebl, Lieselotte Reimold, Marvin Schlenvoigt, Hans-Peter Schoenwaelder, Christopher Schramm, Ulrich Siebold, Mathias Treffert, Franziska Yang, Long Ziegler, Tim Zeil, Karl 2023-06-01 Data for all figures of publication: " Ultra-short pulse laser acceleration of protons to 80 MeV from cryogenic hydrogen jets tailored to near-critical density". The folder structure is adapted to match the figures in the publication. https://rodare.hzdr.de/record/2311 10.14278/rodare.2311 oai:rodare.hzdr.de:2311 eng doi:10.17815/jlsrf-2-58 url:https://www.hzdr.de/publications/Publ-37065 url:https://www.hzdr.de/publications/Publ-37338 doi:10.14278/rodare.2310 url:https://rodare.hzdr.de/communities/draco-elbe url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/fwk url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Plasma accelerator Laser ion acceleration Near-critical density plasmas Source Data: Ultra-short pulse laser acceleration of protons to 80 MeV from cryogenic hydrogen jets tailored to near-critical density info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:4137 2026-03-27T13:11:08Z openaire_data openaire_data user-matter user-rodare

Carstens, Finn-Ole Bernert, Constantin Bussmann, Michael Debus, Alexander Hirsch-Passicos, Arthur Ordyna, Paweł Steiniger, Klaus Widera, René Schramm, Ulrich Pausch, Richard 2025-11-30 Data to create figures for "Synthetic Optical Imaging in PIConGPU" and source code to rerun simulations. `cryojet_openpmd_data.zip`: Simulation with cryojet density slice (Fig 4a), input files to rebuild and rerun simulation are in `input/include` and `input/etc` `cryojet_shadowgram_plugin_data.zip`: Simulation with cryojet shadowgram (Fig 4b, 4c, 4d), input files to rebuild and rerun simulation are in `input/include` and `input/etc` `doubleslit_openpmd_data_setup.zip`: Simulation with double slit setup picture (Fig. 2), input files to rebuild and rerun simulation are in `input/include` and `input/etc` `doubleslit_shadowgram_openpmd_data.zip`: Simulation with double slit shadowgram made with openPMD time integration (Fig. 3b), input files to rebuild and rerun simulation are in `input/include` and `input/etc` `doubleslit_shadowgram_plugin_data.zip`: Simulation with double slit shadowgram made with plugin (Fig. 3a and 3b), input files to rebuild and rerun simulation are in `input/include` and `input/etc` `picongpu-cryojet.zip`: PIConGPU source code for cryojet simulations `picongpu-doubleslit.zip`: PIConGPU source code for double slit simulations https://rodare.hzdr.de/record/4137 10.14278/rodare.4137 oai:rodare.hzdr.de:4137 eng url:https://www.hzdr.de/publications/Publ-42310 doi:10.14278/rodare.4136 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Particle-in-Cell Laser Plasma Acceleration Shadowgraphy PIConGPU Data publication: Synthetic Optical Imaging in PIConGPU info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:4578 2026-03-26T10:10:20Z openaire_data user-hzdr user-matter user-robl user-rodare

Gurzeda, Bartosz Piotr Boulanger, Nicolas Li, Gui Jørgensen, Mads Ry Vogel Kantor, Innokenty Baburin, Igor Petre, Marta Enachescu, Marius Talyzin, Alexandr V. 2026-03-12 The dataset contains the characterization of the synthesized Ti3C2Tz MXene materials by etching Ti3AlC2 titanium aluminum carbide in solution of ammonium fluoride in acetic acid by XRD, TGA, and XPS. https://rodare.hzdr.de/record/4578 10.14278/rodare.4578 oai:rodare.hzdr.de:4578 doi:10.1107/S1600577520014265 doi:10.1002/smll.202514731 url:https://www.hzdr.de/publications/Publ-43184 url:https://www.hzdr.de/publications/Publ-43125 doi:10.14278/rodare.4577 url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/robl url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode environmental friendly in situ XRD MXene synthesis synchrotron titanium aluminum carbide Data publication: Titanium Carbide MXene Synthesis by Etching of Titanium Aluminum Carbide in Acetic Acid Solution info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:4029 2026-06-02T09:35:49Z openaire_data user-crc1415 user-fwi user-hzdr user-ibc user-matter user-rodare

Nihei, Anastasiia Barnowsky, Tom Friedrich, Rico Nihei, Anastasiia Barnowsky, Tom Friedrich, Rico 2025-03-10 This dataset includes the primary research data for the publication "Non-van der Waals Heterostructures". https://rodare.hzdr.de/record/4029 10.14278/rodare.4029 oai:rodare.hzdr.de:4029 eng doi:10.17815/jlsrf-3-159 doi:10.1021/acs.nanolett.1c03841 doi:10.1002/aelm.202201112 doi:10.14278/rodare.1421 doi:10.14278/rodare.1852 url:https://www.hzdr.de/publications/Publ-41082 url:https://www.hzdr.de/publications/Publ-41218 doi:10.14278/rodare.3621 url:https://rodare.hzdr.de/communities/crc1415 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 2D materials non-van der Waals compounds heterostructures interface design magnetism data-driven research computational materials science high-throughput computing Data publication: Non-van der Waals Heterostructures info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:3885 2025-08-21T09:33:11Z openaire_data user-elbe user-felbe user-hzdr user-fwi user-matter user-rodare user-telbe

Uaman Svetikova, Tatiana Aureliia Ilyakov, Igor Ponomaryov, Alexey de Oliveira, Thales Berger, Christian Fürst, Lena Bayer, Florian Deinert, Jan-Christoph Prajapati, Gulloo Lal Arshad, Atiqa Novik, Elena G. Pashkin, Alexej Helm, Manfred Winnerl, Stephan Buhmann, Hartmut Molenkamp, Laurens W. Kiessling, Tobias Kovalev, Sergey Astakhov, Georgy 2025-07-27 This upload represents the data used for publication, including datasets and programming code. 1. Folder “raw_data” contains raw data files obtained during third harmonic generation experiments. 2. Folder “programs” contains the code of the programs for data processing, fitting, and simulations. 3. Folder “origin” contains the main origin file with the visualization of the experimental results and simulations. https://rodare.hzdr.de/record/3885 10.14278/rodare.3885 oai:rodare.hzdr.de:3885 eng doi:10.17815/jlsrf-2-58 arxiv:2412.17179 url:https://www.hzdr.de/publications/Publ-41655 url:https://www.hzdr.de/publications/Publ-41742 doi:10.14278/rodare.3884 url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/felbe url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare url:https://rodare.hzdr.de/communities/telbe info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode HgTe Nonlinear effects THz Highly efficient broadband THz upconversion with Dirac materials: Data info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:121 2021-12-15T14:30:12Z openaire_data user-matter user-rodare

Ódor, Géza Kelling, Jeffrey 2019-03-14 Results of fourth-order Runge--Kutta integration of the first-order Kuramoto model in brain connectome graph. Awr.dat.gz : connectome graph Awri.dat.gz : connectome graph with inhibitory links ccdata.tgz : simulations data for different configurations (averages at top-level, single runs in folders) eERll*.dat: cube graph with random long-range links o.ocp-kur_{lambda}_*.dat: connectome with coupling lambda o.ocp-kur_{lambda}I_*.dat: connectome with inhibitory links, coupling lambda elo-Thr: smoothed probability distributions of avalance times https://rodare.hzdr.de/record/121 10.14278/rodare.121 oai:rodare.hzdr.de:121 eng arxiv:arXiv:1903.00385 url:https://www.hzdr.de/publications/Publ-29065 doi:10.14278/rodare.120 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-sa/4.0/legalcode Kuramoto Model, Graph, Synchronization Kuramoto Model on KKI18 connectome info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:3706 2025-10-09T08:40:40Z openaire_data openaire_data openaire_data openaire_data user-fwi user-ibc user-matter user-rodare user-elbe

Chekhonin, Paul Worbs, Andreas Hlawacek, Gregor Wagner, Andreas Bektas, Umutcan Liedke, Maciej Oskar Liu, Huan Ganss, Fabian Butterling, Maik Klingner, Nico Hübner, René Makkonen, Ilja Wagner, Andreas Hlawacek, Gregor 2025-04-11 In this study, we investigate the ion-induced phase transition in gallium oxide (Ga2O3) from beta- to the gamma- phase and the role of defects in the transformation and the quality of the resulting crystal structure. This upload contains XRD, TEM, RBS, PALS, DB-VEPAS and simulations. We acknowledge the M-ERA.NET Program for financial support via the GOFIB project supported by the tax funds on the basis of the budget passed by the Saxonian state parliament in Germany and administrated in Finland by the Academy of Finland project number 352518. UB, GH, and NK acknowledge support by the COST Action CA19140 FIT4NANO. This work was partially supported by the Initiative and Networking Fund of the Helmholtz Association (FKZ VH-VI-442 Memriox) and the Helmholtz Energy Materials Characterization Platform (03ET7015). We are grateful for CSC-Finnish IT Center for Science for generous computational resources. https://rodare.hzdr.de/record/3706 10.14278/rodare.3706 oai:rodare.hzdr.de:3706 doi:10.17815/jlsrf-2-58 doi:10.17815/jlsrf-3-159 url:https://www.hzdr.de/publications/Publ-41066 url:https://www.hzdr.de/publications/Publ-41946 doi:10.14278/rodare.3705 url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Gallium Oxide Defects in Gallium Oxide Positron Annihilation Lifetime Spectroscopy Doppler broadening spectroscopy X-ray diffraction Transmission Electron Microscopy Defect Analysis of the Beta- to Gamma-Ga2O3 phase transition info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:1286 2022-12-31T00:02:00Z openaire_data user-matter user-rodare

Erb, Denise Perlich, Jan Roth, Stephan Röhlsberger, Ralf Schlage, Kai 2021-11-30 -- raw data of GISAXS experiment -- AFM data -- GISAXS simulation files https://rodare.hzdr.de/record/1286 10.14278/rodare.1286 oai:rodare.hzdr.de:1286 eng url:https://www.hzdr.de/publications/Publ-33170 url:https://www.hzdr.de/publications/Publ-33492 doi:10.14278/rodare.1285 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode crystal surface reconstruction nanofaceted Al₂O₃ pattern formation in-situ GISAXS AFM Data publication: Temperature-induced surface faceting of M-plane Al₂O₃: An in-situ GISAXS study info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:2720 2024-08-14T12:27:05Z openaire_data user-casus user-matter user-rodare user-zrt

Martinetto, Vincent Shah, Karan Cangi, Attila Pribram-Jones, Aurora 2024-02-01 This data repository contains the datasets used in the paper "Inverting the Kohn-Sham equations with physics-informed machine learning". It contains the data generation scripts, datasets for the systems used in the paper (Single Well - 1D atom, Double Well - 1D diatomic molecule) and output potentials generated by the physics-informed machine learning models (physics-informed neural networks and Fourier neural operators). https://rodare.hzdr.de/record/2720 10.14278/rodare.2720 oai:rodare.hzdr.de:2720 doi:10.48550/arXiv.2312.15301 url:https://www.hzdr.de/publications/Publ-38725 doi:10.14278/rodare.2719 url:https://rodare.hzdr.de/communities/casus url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare url:https://rodare.hzdr.de/communities/zrt info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode density functional theory machine learning Inverting the Kohn-Sham equations with physics-informed machine learning info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:3198 2025-02-17T11:14:01Z openaire_data user-matter user-rodare user-crc1415

Mitrofanov, Andrei Dreimann, Oliver Zakirova, Karina Waentig, Albrecht L. Wrzesińska-Lashkova, Angelika Kuc, Agnieszka Beata Ruck, Michael Vaynzof, Yana Feng, Xinliang Voit, Brigitte 2024-07-26 Structural and electronic properties simulated using DFT/PBE level of theory with TS dispersion correction as implemented in FHI-Aims code. https://rodare.hzdr.de/record/3198 10.14278/rodare.3198 oai:rodare.hzdr.de:3198 doi:10.1021/acs.inorgchem.4c01711 url:https://www.hzdr.de/publications/Publ-39743 url:https://www.hzdr.de/publications/Publ-39027 doi:10.14278/rodare.3197 url:https://rodare.hzdr.de/communities/crc1415 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Data publication: Simulation results on Aminophenyl Viologen info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:3116 2024-08-26T12:52:23Z openaire_data user-rodare user-matter user-fwi user-telbe user-elbe

Salikhov, Ruslan Salikhov, Ruslan Ilyakov, Igor Reinold, Anneke Deinert, Jan-Christoph de Oliveira, Thales Ponomaryov, Oleksiy Prajapati, Gulloo Lal Pilch, Patrick Ghalgaoui, Ahmed Koch, Max Faßbender, Jürgen Lindner, Jürgen Wang, Zhe Kovalev, Sergey 2024-08-26 Raw data for the publication titled 'Ultrafast Unidirectional Spin Hall Magnetoresistance Driven by a Terahertz Light Field,' including the data presented in Figures 2 through 4. https://rodare.hzdr.de/record/3116 10.14278/rodare.3116 oai:rodare.hzdr.de:3116 eng doi:10.17815/jlsrf-2-58 url:https://www.hzdr.de/publications/Publ-39487 url:https://www.hzdr.de/publications/Publ-39486 doi:10.14278/rodare.3115 url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare url:https://rodare.hzdr.de/communities/telbe info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Terahertz spintronics unidirectional spin-Hall magnetoresistance terahertz second harmonic generation magnetic heterostructures Data publication: Ultrafast unidirectional spin Hall magnetoresistance driven by terahertz light field info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:757 2024-08-08T10:38:45Z openaire_data user-hzdr user-matter user-rodare user-elbe

Kim, Heejae Jäger, Sebastian Deinert, Jan-Christoph Kovalev, Sergey 2021-01-22 Research data for the May 2020 beamtime on "THz-driven structural phase transition in a hybrid perovskite". PI: Heejae Kim, MPI for polymer research, Mainz. https://rodare.hzdr.de/record/757 10.14278/rodare.757 oai:rodare.hzdr.de:757 eng url:https://www.hzdr.de/publications/Publ-32146 doi:10.14278/rodare.756 url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/restrictedAccess Terahertz Phase transition Perovskite field-driven 2D-spectroscopy ultrafast Research data: THz-driven structural phase transition in a hybrid perovskite info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:3941 2025-08-20T15:19:17Z openaire_data user-matter user-rodare

Gonin, Mael Hasinger, Günther Blaschke, David Ivanytskyi, Oleksii Röpke, Gerd 2025-08-20 Data for the cosmic equation of state with QCD transition and mass distributions for primordial black hole formation as well as binary black hole mergers. The research was supported in part by the Polish National Science Center (NCN) under grant No. 2021/43/P/ST2/03319. https://rodare.hzdr.de/record/3941 10.14278/rodare.3941 oai:rodare.hzdr.de:3941 eng doi:10.1140/epja/s10050-025-01639-w url:https://www.hzdr.de/publications/Publ-41736 url:https://www.hzdr.de/publications/Publ-41690 doi:10.14278/rodare.3940 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode primordial black holes QCD transition heavy r-process elements dark matter cosmic equation of state baryon number distillation Cosmic QCD thermodynamics and primordial black-hole formation info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:1692 2024-08-09T12:41:34Z openaire_data user-hzdr user-matter user-rodare user-elbe user-telbe

Chu, Hao Kovalev, Sergey Xiao Wang, Zi Schwarz, Lukas Dong, Tao Feng, Liwen Haenel, Rafael Kim, Min-Jae Phuong Hoang, Le Honasoge, Kedar David Dawson, Robert Putzky, Daniel Kim, Gideok Puviani, Matteo Chen, Min Awari, Nilesh Ponomaryov, Oleksiy Ilyakov, Igor Bluschke, Martin Boschini, Fabio Zonno, Marta Zhdanovich, Sergey Na, Mengxing Christiani, Georg Logvenov, Gennady Jones, David J. Damascelli, Andrea Minola, Matteo Keimer, Bernhard Manske, Dirk Wang, Nanlin Deinert, Jan-Christoph Kaiser, Stefan 2023-03-10 Research data and metadata that was used in the corresponding publication "Fano interference between collective modes in cuprate high-Tc superconductors" ( https://doi.org/10.1038/s41467-023-36787-4 ). https://rodare.hzdr.de/record/1692 10.14278/rodare.1692 oai:rodare.hzdr.de:1692 eng doi:10.17815/jlsrf-2-58 url:https://www.hzdr.de/publications/Publ-34765 url:https://www.hzdr.de/publications/Publ-34772 doi:10.14278/rodare.1691 url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare url:https://rodare.hzdr.de/communities/telbe info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Terahertz Higgs spectroscopy ultrafast phase-resolved Superconductivity cuprates magnetic fields doping Research data: Fano interference between collective modes in cuprate high-Tc superconductors info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:2497 2025-04-01T12:38:16Z openaire_data user-matter user-fwi user-rodare user-ibc user-crc1415

Barnowsky, Tom Curtarolo, Stefano Krasheninnikov, Arkady Heine, Thomas Friedrich, Rico 2023-10-04 This dataset includes the primary research data for the publication "Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation". https://rodare.hzdr.de/record/2497 10.14278/rodare.2497 oai:rodare.hzdr.de:2497 eng doi:10.17815/jlsrf-3-159 url:https://www.hzdr.de/publications/Publ-37642 url:https://www.hzdr.de/publications/Publ-37645 doi:10.14278/rodare.2496 url:https://rodare.hzdr.de/communities/crc1415 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/restrictedAccess 2D materials magnetism non-van der Waals compounds passivation data-driven research computational materials science high-throughput computing Data publication: Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:2589 2025-04-01T12:38:16Z openaire_data user-fwi user-matter user-rodare user-ibc user-crc1415

Barnowsky, Tom Curtarolo, Stefano Krasheninnikov, Arkady Heine, Thomas Friedrich, Rico 2023-12-01 This dataset includes the primary research data for the publication "Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation". https://rodare.hzdr.de/record/2589 10.14278/rodare.2589 oai:rodare.hzdr.de:2589 eng doi:10.17815/jlsrf-3-159 url:https://www.hzdr.de/publications/Publ-37642 url:https://www.hzdr.de/publications/Publ-37645 doi:10.14278/rodare.2496 url:https://rodare.hzdr.de/communities/crc1415 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/restrictedAccess 2D materials magnetism non-van der Waals compounds passivation data-driven research computational materials science high-throughput computing Data publication: Magnetic State Control of Non-van der Waals 2D Materials by Hydrogenation info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:3614 2025-03-06T07:57:59Z openaire_data user-hzdr user-matter user-rodare

Yan, Cong Hirschmann, Eric Geers, G. D. Marc Giuntini, Diletta 2025-03-06 This data set consists of positron annihilation lifetime measurements generated at a conventional measuring station with a Na-22 source. https://rodare.hzdr.de/record/3614 10.14278/rodare.3614 oai:rodare.hzdr.de:3614 eng doi:10.1016/j.matdes.2025.113784 url:https://www.hzdr.de/publications/Publ-41068 url:https://www.hzdr.de/publications/Publ-41067 doi:10.14278/rodare.3613 url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/restrictedAccess Supercrystals Creep Nonlinear viscoelasticity Free volume Positron annihilation lifetime spectroscop Data publication: Free volume and nonlinear viscoelasticity in supercrystalline nanocomposites: A nanoindentation driven modelling analysis info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:968 2024-08-13T12:13:26Z openaire_data user-fwi user-matter user-rodare user-ibc

Jain, Archa Bayrak, Türkan Erbe, Artur 2021-05-03 IV-curves measured on self-organized Au nanogaps. HSQ-wires are 10 nm gaps without DNA molecules, to characterise the insulating properties of HSQ resist. Au_nanowire are measurements of continuous Au nanowires. The temperature dependent measurements characterize self-organised Au contacts to DNA ensembles with 10 nm length https://rodare.hzdr.de/record/968 10.14278/rodare.968 oai:rodare.hzdr.de:968 eng doi:10.17815/jlsrf-3-159 doi:10.1002/adma.202100381 url:https://www.hzdr.de/publications/Publ-32598 url:https://www.hzdr.de/publications/Publ-32362 doi:10.14278/rodare.967 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/closedAccess Nanoelectronics Self-Organisation DNA Origami IV-data for Complex Metal Nanostructures with Programmable Shapes from Simple DNA Building Blocks info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:4016 2025-10-06T08:47:17Z openaire_data user-hzdr user-fwi user-matter user-rodare

Kar, Satyakam Nielsch, Kornelius Reith, Heiko Fähler, Sebastian 2025-09-30 Magnetic shape memory alloys, owing to their multifunctional properties, are a promising material system for integration into microsystems. Their multifunctionality arises from the coexistence of ferroelasticity and ferromagnetism. While size-effects in ferromagnetic microstructure are well understood, corresponding experiments on the ferroelastic martensite microstructure are sparse. In this study, we use epitaxially grown Ni-Mn-Ga-based films as a model system to investigate the influence of finite size on the martensite microstructure under constrained and freestanding conditions. The results show that the microfabricated patterns, in both conditions, retain the characteristics of their continuous film microstructures. Film thickness has a strong influence, as this is the smallest extension investigated in our study. Our analysis reveals similarities and differences between finite size effects in ferromagnetic and ferroelastic microstructure, which is crucial for using these multifunctional materials in microsystems. https://rodare.hzdr.de/record/4016 10.14278/rodare.4016 oai:rodare.hzdr.de:4016 eng url:https://www.hzdr.de/publications/Publ-41911 url:https://www.hzdr.de/publications/Publ-41935 doi:10.14278/rodare.4015 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Magnetic shape memory alloys Epitaxial films Microfabrication Size-effect Martensite microstructure Data publication: Finite Size-Effects in Martensite Microstructure of Magnetic Shape Memory Films info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:4181 2026-06-09T16:05:27Z software user-fwi user-ibc user-matter user-rodare user-crc1415

Barnowsky, Tom Friedrich, Rico 2025-12-12 FINDSLAB: Software for Exfoliation and Cleavage of Crystals Tom Barnowsky & Rico Friedrich Technische Universität Dresden & Helmholtz-Zentrum Dresden-Rossendorf, Germany This program implements the XCP method to identify 2D materials from bulk materials by estimating bonding energies using a two-body potential model [1]. Potential Models The code supports a range of two-body potential parametrizations \(V(r)\), namely: Lennard-Jones + Yukawa Morse + Yukawa Mie + Yukawa Parameters are provided as plain text files which are specified via the environment variable `FINDSLAB_POTDATA`. Note that all energies have to be multiplied by a factor two to compare to surface/bonding energies. Build Run `make` serially (without `-j n`). A binary will be created in the `bin` directory. Requirements: a recent Fortran compiler, BLAS and LAPACK. Usage FINDSLAB provides some instructions when running `findslab --help`. The code is designed to work with VASP POSCAR files, however, the reader is not fully general and expects the formatting as it is found in the AFLOW database (aflow.org) [2]. To convert general structure files (including those from other codes) to this format, use the AFLOW software to run `aflow --vasp`. The aflow code is available at github.com/aflow-org/aflow. Here we provide an example code to determine HKLSEARCH slabs from bulk Ca3N2 retrieved via the AFLOW REST API [3]: export FINDSLAB_POTDATA=<path to file> export OPENBLAS_NUM_THREADS=1 curl http://aflowlib.duke.edu/AFLOWDATA/ICSD_WEB/HEX/Ca3N2_ICSD_169727/CONTCAR.relax.vasp | aflow --sconv | findslab --hklsearch Conversion to the conventional unit cell via `aflow --sconv` is optional and is only used here to relate Miller indices to the conventional cell. Acknowledgements The authors thank Carsten Timm, Steve Schmerler, and Moritz Leucke for fruitful discussions. Parts of this work are based on an implementation for creating Miller planes from the atomic simulation environment (ASE) [4]. Additionally, we implement the criterion of Mounet et al. [5] to identify van der Waals-bound layers in bulk structures. License This dataset is published under the Apache 4.0 license. We kindly ask works based on this software to cite this entry and/or the associated publication. https://rodare.hzdr.de/record/4181 10.14278/rodare.4181 oai:rodare.hzdr.de:4181 eng doi:10.1007/s44210-025-00058-2 doi:10.1016/j.commatsci.2014.05.014 doi:10.1088/1361-648X/aa680e doi:10.1038/s41565-017-0035-5 url:https://www.hzdr.de/publications/Publ-42447 doi:10.14278/rodare.4180 url:https://rodare.hzdr.de/communities/crc1415 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://opensource.org/licenses/Apache-2.0 2D materials non-van der Waals compounds computational materials science FINDSLAB: Software for Exfoliation and Cleavage of Crystals info:eu-repo/semantics/other software

oai:rodare.hzdr.de:1345 2024-08-08T10:33:20Z openaire_data user-matter user-hzdr user-ecfunded user-rodare user-elbe

Kovalev, Sergey Hafez, Hassan A. Tielrooij, Klaas-Jan Deinert, Jan-Christoph Ilyakov, Igor Awari, Nilesh Alcaraz, David Soundarapandian, Karuppasamy Saleta, David Germanskiy, Semen Chen, Min Bawatna, Mohammed Green, Bertram Windisch Koppens, Frank H. L. Mittendorff, Martin Bonn, Mischa Gensch, Michael Turchinovich, Dmitry 2021-12-21 This research data publications contains the sorted pulse-resolved data and metadata corresponding to the linked publication: Electrical tunability of terahertz nonlinearity in graphene. The final data evaluation and preparation of figures was done externally by Dr. Hassan Hafez, who should be contacted in terms of assigning raw data to data shown in publication. https://rodare.hzdr.de/record/1345 10.14278/rodare.1345 oai:rodare.hzdr.de:1345 eng info:eu-repo/grantAgreement/EC/H2020/654220/ url:https://www.hzdr.de/publications/Publ-32311 url:https://www.hzdr.de/publications/Publ-33778 doi:10.1126/SCIADV.ABF9809 doi:10.14278/rodare.1344 url:https://rodare.hzdr.de/communities/ecfunded url:https://rodare.hzdr.de/communities/elbe url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/restrictedAccess Graphene THz-driven dynamics Terahertz Dirac material Electrical gating High harmonic generation Optoelectronics Ultrafast Research data: Electrical tunability of terahertz nonlinearity in graphene info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:2293 2023-06-28T08:52:22Z openaire_data user-rodare user-matter user-fwi user-hzdr

Fink, Lukas Kar, Satyakam Lünser, Klara Nielsch, Kornelius Reith, Heiko Fähler, Sebastian 2023-05-08 Measured raw data (XRD, texture, SEM, PPMS and EDX) https://rodare.hzdr.de/record/2293 10.14278/rodare.2293 oai:rodare.hzdr.de:2293 eng url:https://www.hzdr.de/publications/Publ-36937 url:https://www.hzdr.de/publications/Publ-37186 doi:10.14278/rodare.2292 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/hzdr url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Magnetic shape memory alloys Silicon microtechnology Ni2MnGa NiTi Epitaxial film growth Data publication: Integration of Multifunctional Epitaxial (Magnetic) Shape Memory Films in Silicon Microtechnology info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:1999 2023-02-28T13:31:04Z openaire_data user-matter user-casus user-rodare

Kraisler, Eli Cangi, Attila Callow, Timothy James 2022-12-14 Data for our paper "Improved calculations of mean ionization states with an average-atom model" (arXiv) For details about the data, please see the README file after unpacking the folder, and this GitHub repository. https://rodare.hzdr.de/record/1999 10.14278/rodare.1999 oai:rodare.hzdr.de:1999 url:https://www.hzdr.de/publications/Publ-35832 url:https://www.hzdr.de/publications/Publ-34364 doi:10.1103/PhysRevResearch.5.013049 doi:10.14278/rodare.1998 url:https://rodare.hzdr.de/communities/casus url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Data publication: Improved calculations of mean ionization states with an average-atom model info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:2889 2024-05-28T09:11:46Z openaire_data user-matter user-rodare

Kar, Satyakam Ikeda, Yuki Nielsch, Kornelius Reith, Heiko Maaß, Robert Fähler, Sebastian 2024-05-28 This dataset contains all raw data used for the publication of the paper "Multiferroic Microstructure Created from Invariant Line Constraint" including SEM, TEM, MFM, VSM, RXD data. https://rodare.hzdr.de/record/2889 10.14278/rodare.2889 oai:rodare.hzdr.de:2889 eng url:https://www.hzdr.de/publications/Publ-39148 url:https://www.hzdr.de/publications/Publ-39147 doi:10.14278/rodare.2888 url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Multiferroics Martensite Magnetic shape memory alloys Ni-Mn-Ga-based alloys Epitaxial films Finite-size effects Data publication: Multiferroic Microstructure Created from Invariant Line Constraint info:eu-repo/semantics/other dataset

oai:rodare.hzdr.de:4176 2025-12-15T07:02:49Z openaire_data user-rodare user-matter user-ibc user-fwi user-crc1415

Barnowsky, Tom Friedrich, Rico 2025-12-12 Primary Research Data for "Exfoliation and Cleavage of Crystals from a Universal Potential" Tom Barnowsky & Rico Friedrich TU Dresden & Helmholtz-Zentrum Dresden-Rossendorf, Germany This dataset contains the primary data supporting the publication "Exfoliation and Cleavage of Crystals from a Universal Potential". Each directory corresponds to a bulk entry from the AFLOW database for which a slab prediction was generated. The directory name follows the AFLOWLIB uniform resource locator (with the prefix `aflowlib.duke.edu:` omitted). Bulk data can be retrieved from aflowlib.duke.edu through the AFLOW REST API using this identifier [1]. Within each bulk directory, subdirectories are provided for every predicted slab. Their names follow the pattern: ID="${MILLER_INDEX}_facet_${BULK_CHEMICAL_FORMULA}_ICSD_${BULK_ICSD_NUMBER}_slab_${SLAB_CHEMICAL_FORMULA}_uff_${UFF_ENERGY}" Chemical formulas are alphabetically ordered. UFF energies [2] are written with two significant figures. This provides a unique identifier for every bulk/slab configuration. Contents of Each Slab Directory Each `${ID}` directory contains: `POSCAR.vasp.xz`: structure file of the unrelaxed predicted 2D slab. If an exfoliation-energy calculation was performed, the full AFLOW/VASP calculation data is included [3-8]. A static "as-sliced" DFT calculation is located in a separate `${ID}_static` directory. If a DFT calculation did not finish cleanly the calculation data is omitted. For systems where band structures or molecular dynamics (MD) were computed, the respective results are stored as: `${ID}/BANDS_DOS` `${ID}/MD_300K` Directory Structure Example Below is an example for the predicted (001) slab of BaCO3: AFLOWDATA └── ICSD_WEB ├── HEX │ ├── Ba1C1O3_ICSD_91897 │ │ ├── 001_facet_Ba1C1O3_ICSD_91897_slab_Ba1C1O3_uff_0.75 │ │ │ ├── aflow.in │ │ │ ├── BANDS_DOS │ │ │ │ ├── aflow.in │ │ │ │ └── ... │ │ │ ├── MD_300K │ │ │ │ ├── INCAR.xz │ │ │ │ └── ... │ │ │ └── ... │ │ └── 001_facet_Ba1C1O3_ICSD_91897_slab_Ba1C1O3_uff_0.75_static │ │ ├── aflow.in │ │ └── ... │ └── ... └── ... This structure is split at the third level into 14 separate tar archives (one for each Bravais lattice) for download. Structure File Each `POSCAR.vasp.xz` file contains the predicted slab structure in VASP's POSCAR format. The file header encodes essential metadata about the algorithm and parameters used to generate the slab. HKLSEARCH Slabs For slabs created using the HKLSEARCH algorithm, the header has the form: HEADER="Slab( ${H} ${K} ${L} ), start=${START}, thickness=${THICKNESS}, energy=${SURFACE_ENERGY}, ratio=${IN_OUT_RATIO}" where `START`: Starting point of the cut-out layer along the (hkl) normal in units of Angstrom. `THICKNESS`: Thickness of the extracted slab along the (hkl) normal in units of Angstrom. `SURFACE_ENERGY`: The XCP model surface energy (divided by 2). `IN_OUT_RATIO`: The in-plane/out-of-plane ratio. BONDDEL Slabs For slabs created using the BONDDEL algorithm, the header is: HEADER="Slab(bonddel, ${H} ${K} ${L}), ratio=${RATIO}" where `RATIO`: 2D/3D cut bond energy ratio. Additional Files This dataset also includes the potential data file used with the FINDSLAB code [9], supplied as `POTDATA_morse_yukawa_2025.xz`. License This dataset is published under the Creative Commons Attribution 4.0 (CC BY) license. We kindly ask works based on this data to cite this dataset entry and/or the associated publication. https://rodare.hzdr.de/record/4176 10.14278/rodare.4176 oai:rodare.hzdr.de:4176 eng doi:10.1007/s44210-025-00058-2 doi:10.1103/PhysRevB.47.558 doi:10.1103/PhysRevB.49.16223 doi:10.1088/0953-8984/6/40/015 doi:10.1103/PhysRevB.54.11169 doi:10.1016/0927-0256(96)00008-0 doi:10.1016/j.commatsci.2014.05.014 doi:10.14278/rodare.4180 url:https://www.hzdr.de/publications/Publ-42448 doi:10.1021/ja00051a040 doi:10.14278/rodare.4175 url:https://rodare.hzdr.de/communities/crc1415 url:https://rodare.hzdr.de/communities/fwi url:https://rodare.hzdr.de/communities/ibc url:https://rodare.hzdr.de/communities/matter url:https://rodare.hzdr.de/communities/rodare info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode 2D materials non-van der Waals compounds data-driven research computational materials science high-throughput computing Data Publication: Exfoliation and Cleavage of Crystals from a Universal Potential info:eu-repo/semantics/other dataset .eJyFz0-PojAYx_H30rO7KRVETebgboHVbItloPy5TJhSESxogBmhk3nvy968eX6-yfP5fYFeygJs4c-lCc0ltKFlrTb2eoPsBbjlpQRbtACXe96VPdh-zfUAtuCjl92PJh8G2YEFaOSQF_mQHzt5qsb5fM2rt0KA7wXoRXdV6q2aPwCRcCVaFeUe_wgaDlNU2iTc2aQWBtHRSGqG_JpZRRJcfffXZ9QSlF7c6m_CjMA534QnbIodSGqiaeisMr2fBFe_U66Cd7i2ROIm0gtimhx0pvuJ6uh_N1FcrihWRuGVZuRtXoXOKhbvhwJz59VT97mFJGQT0QT6-NaS-jDG0eEcc_cz1GoUvDAzNzVES1tfC5PgHfLD_eg3BaPN5kTCIouS8x_foYN0GEo0PVLlPO6ynu7S5Z3g1CL1bpUZO_RurEdqqEA6wmTIMAOcnQhcoyh8sIbPrGykeK9nw91vxERaN2ONm0Xx5ugn7siX5wuv-SSQeLQun1kJ7l_A9z8EN7xq.ajScTA.IlVc0l2YGWqJgrztToAhYMJ_FJI