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11 results for “magnetic configuration”
Data set for: Mapping magnetic signals of individual magnetite grains to their internal magnetic configurations using micromagnetic models
<p>This data set contains the simulations and data analysis files used in the publication: "<em>Mapping magnetic signals of individual magnetite grains to their internal magnetic configurations using micromagnetic models</em>", by D. Cortés-Ortuño, K. Fabian and L. V. de Groot.</p> <p>The data set includes:</p> <ul> <li>Scripts and output files from MERRILL simulations</li> <li>Jupyter notebooks with data analysis</li> <li>Figures</li> </ul> <p>A preprint of this work can be found in:</p> <p>David Cortés-Ortuño, Karl Fabian and Lennart V. de Groot. <em>Mapping magnetic signals of individual magnetite grains to their internal magnetic configurations using micromagnetic models.</em> DOI: 10.1002/essoar.10510574.1. Earth and Space Science Open Archive. <a href="https://doi.org/10.1002/essoar.10510574.1">https://doi.org/10.1002/essoar.10510574.1</a></p> <p>The README file in this dataset (in markdown format) contains full details about the simulations. The dataset also contains pre-computed data files to calculate the inversions and produce the figures and analyze the inversion data without processing the vbox files.</p> <p>To cite this dataset you can use the following bibtex entry:</p> <pre><code>@Misc{Cortes2022, author = {Cortés-Ortuño, David and Fabian, Karl and de Groot, Lennart V.}, title = {{Data set for: Mapping magnetic signals of individual magnetite grains to their internal magnetic configurations using micromagnetic models}}, publisher = {Zenodo}, year = {2022}, doi = {10.5281/zenodo.6501818}, url = {https://doi.org/10.5281/zenodo.6501818}, } </code></pre> <p> </p>
First-principles prediction of the Co-Al phase diagram including configurational, vibrational and magnetic contributions
<p>Documentation for the Dataset used in the publication entitled "First-principles prediction of the Co–Al phase diagram including configurational, vibrational and magnetic contributions" <br>** These datasets comprise all configurations used in Co-Al system and their formation enthalpies at different temperatures, where configurational, vibrational and magnetic contributions were considered. Hcp Co and fcc Al were used as reference states. **<br>** More details about the methodology can be found in the paper "First-principles prediction of the Co-Al phase diagram including configurational, vibrational and magnetic contributions, Journal of Materials Research and Technology, 2024" **</p> <p>1. bcc-Co-Al.zip<br>- Description: bcc-Co-Al.zip is a compressed folder. It contains Al1-xCox configurations with bcc lattice used to fit the cluster expansion (CE). Each folder contains a POSCAR file that correspons to a configuration. The POSCAR can be opened with Notepad and visualized with VESTA software.</p> <p>2. fcc-Co-Al.zip<br>- Description: fcc-Co-Al.zip is a compressed folder. It contains Al1-xCox configurations with fcc lattice used to fit the CE. Each folder contains a POSCAR file that correspons to a configuration. The POSCAR can be opened with Notepad and visualized with VESTA software.</p> <p>3. hcp-Co-Al.zip<br>- Description: hcp-Co-Al.zip is a compressed folder. It contains Al1-xCox configurations with hcp lattice used to fit the CE. Each folder contains a POSCAR file that correspons to a configuration. The POSCAR can be opened with Notepad and visualized with VESTA software.</p> <p><br>4. Formation enthalpies of bcc-Co-Al.xlsx<br>- Description: Formation enthalpies of bcc lattice in Co-Al system at different temperatures, which includes the effect of lattice vibration and magnetic excitation. Fcc Al and hcp Co were used as reference states.</p> <p>- Variable description by columns:<br> 1-(Folder name) - type: numerical (integer)<br> Description: Each folder name in the bcc-Co-Al.zip corresponds to a configuration.<br> 2- (at. fraction of Co (%)) - type: numerical (float)<br> Description: The atomic fraction of Co in each configuration.<br> 3- (H_f^(conf)(DFT) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 0 K calculated by density functional theory (DFT) following eq.(18) in the paper.<br> 4- (H_f^(conf)(CE) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 0 K fitted by CE. <br> 6- (at. fraction of Co (%)) - type: numerical (float)<br> Description: The atomic fraction of Co in each configuration.<br> 7- (H_f^(conf+vib+mag)(Cal.) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 400 K calculated by DFT, the bond length vs. bond stiffness relationship and Monte Carlo simulation of the Heisenberg Hamiltonian following eq.(20) in the paper.<br> 8- (H_f^(conf+vib+mag)(CE) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 400 K fitted by CE. <br> 10- (at. fraction of Co (%)) - type: numerical (float)<br> Description: The atomic fraction of Co in each configuration.<br> 11- (H_f^(conf+vib+mag)(Cal.) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 800 K calculated by DFT, the bond length vs. bond stiffness relationship and Monte Carlo simulation of the Heisenberg Hamiltonian following eq.(20) in the paper.<br> 12- (H_f^(conf+vib+mag)(CE) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 800 K fitted by CE. <br> 14- (at. fraction of Co (%)) - type: numerical (float)<br> Description: The atomic fraction of Co in each configuration.<br> 15- (H_f^(conf+vib+mag)(Cal.) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 1200 K calculated by DFT, the bond length vs.bond stiffness relationship and Monte Carlo simulation of the Heisenberg Hamiltonian following eq.(20) in the paper.<br> 16- (H_f^(conf+vib+mag)(CE) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 1200 K fitted by CE.<br> 18- (at. fraction of Co (%)) - type: numerical (float)<br> Description: The atomic fraction of Co in each configuration.<br> 19- (H_f^(conf+vib+mag)(Cal.) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 1600 K calculated by DFT, the bond length vs.bond stiffness relationship and Monte Carlo simulation of the Heisenberg Hamiltonian following eq.(20) in the paper.<br> 20- (H_f^(conf+vib+mag)(CE) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 1600 K fitted by CE.</p> <p><br>5. Formation enthalpies of fcc Co-Al.xlsx<br>- Description: Formation enthalpies of fcc lattice in Co-Al system at different temperatures, which includes the effect of lattice vibration and magnetic excitation. Fcc Al and hcp Co were used as reference states.</p> <p>- Variable descriptions by columns are the same as those of Formation enthalpies of bcc-Co-Al.xlsx.</p> <p><br>6. Formation enthalpies of hcp-Co-Al.xlsx<br>- Description: Formation enthalpies of hcp lattice in Co-Al system at different temperatures, which includes the effect of lattice vibration and magnetic excitation. Fcc Al and hcp Co were used as reference states.</p> <p>- Variable descriptions by columns are the same as those of Formation energies of bcc-Co-Al.xlsx.</p> <p><br>7. ECIs of bcc-Co-Al at different temperatures.txt<br>- Description: ECIs of bcc lattice in Co-Al system from 0 to 2000 K with increment step of 10 K. The ECIs at different temperatures are separated by blank lines. ECIs at 0 K means that only configurational contribution was considered. ECIs at finite temperature means that configurational, vibrational and magnetic contributions were considered.</p> <p><br>8. ECIs of fcc-Co-Al at different temperatures.txt<br>- Description: ECIs of fcc lattice in Co-Al system from 0 to 2000 K with increment step of 10 K. The ECIs at different temperatures are separated by blank lines. ECIs at 0 K means that only configurational contribution was considered. ECIs at finite temperature means that configurational, vibrational and magnetic contributions were considered.</p> <p><br>9. ECIs of hcp-Co-Al at different temperatures.txt<br>- Description: ECIs of hcp lattice in Co-Al system from 0 to 2000 K with increment step of 10 K. The ECIs at different temperatures are separated by blank lines. ECIs at 0 K means that only configurational contribution was considered. ECIs at finite temperature means that configurational, vibrational and magnetic contributions were considered.</p> <p><br>10. Clusters of bcc-Co-Al.txt<br>- Description: Cluster information of bcc lattice in Co-Al system. Each cluster is separated by a blank line. Each cluster contains: multiplicity; Length of the longest pair within the cluster; number of points in cluster; coordinates of point. They are arranged in a row.</p> <p><br>11. Clusters of fcc-Co-Al.txt<br>- Description: Cluster information of fcc lattice in Co-Al system. Each cluster is separated by a blank line. Each cluster contains: multiplicity; Length of the longest pair within the cluster; number of points in cluster; coordinates of point. They are arranged in a row.</p> <p><br>12. Clusters of hcp-Co-Al.txt<br>- Description: Cluster information of hcp lattice in Co-Al system. Each cluster is separated by a blank line. Each cluster contains: multiplicity; Length of the longest pair within the cluster; number of points in cluster; coordinates of point. They are arranged in a row.</p>
Magnetic Bloch point and vortex configurations
<p>This dataset is associated to the arxiv publication "Energetics and Dynamics of a stable Bloch point" by Winkler et al., arxiv:2303.10091 (2023). Link: https://arxiv.org/abs/2303.10091</p> <p>The set contains stable Bloch point and vortex configurations in various discretizations, disk shapes and models (Heisenberg or micromagnetic), as well as snapshots of dynamics after shifting the structures out of equilibrium. One jupyter notebook is added to plot the data directly within this repository.</p> <p>The github repsitory to produce this states and to verify the results of the study can be found here: https://github.com/WinklerTB/BP_paper_2023</p> <p>The simulation code (MicMag2) can be found here: https://github.com/WinklerTB/MicMag2</p> <p>Also the ubermag framework was partly used to evaluate the data: https://ubermag.github.io/</p>
Magnetic elastomers as specific soft actuators – predicting particular modes of deformation from selected configurations of magnetizable inclusions
<p>This dataset contains the underlying data and python programs to generate the plots in the manuscript</p> <p><em>L. Fischer and Andreas M. Menzel</em><br>Magnetic elastomers as specific soft actuators – predicting particular modes of deformation from selected configurations of magnetizable inclusions<br>J. Magn. Magn. Mater. <strong>591</strong>, 171695 (2024) (DOI: <a href="https://doi.org/10.1016/j.jmmm.2023.171695" target="_blank" rel="noopener">10.1016/j.jmmm.2023.171695</a>).<br>Part of the special issue "ICMF 2023".</p> <p>arXiv Version: <a href="https://arxiv.org/abs/2310.16833" target="_blank" rel="noopener">arXiv:2310.16833</a>.</p> <p>For more information, please see the included "Readme.txt" in the dataset "Zenodo.zip".</p>
Configuration of magnetotail current sheet prior to magnetic reconnection onset
<p>Data repository for "Configuration of magnetotail current sheet prior to magnetic reconnection onset". This repository contains the following files: (1) "xyarray" is the main dataset; (2) "read_pritchett_pic_2d.py" is the python module that reads xyarray; (3) "simulation_params2.py" is the auxiliary python module that stores simulation parameters; (3) The python scripts with prefix "prod2_" plot the production figures; (4) "plt_style.py" is the plotting style sheet; (5) "movie-prod2_ratio-force.mp4" shows the evolution of different terms in the momentum equation prior to magnetic reconnection (The gray lines stand for the sum of all terms).</p>
Effect of magnetic configuration on real-time wall conditioning in DIII-D
<p>Using EMC3-EIRENE modeling, the impact of parallel impurity forces on the edge transport of injected material and ionized impurities, including scrape-off layer (SOL) main ion flows, has been investigated. The study involved comparing impurity powder injections in different divertor configurations, namely DIII-D lower single null, upper single null, and double null configurations, with plasma edge transport and dust migration and ablation modeling. The injections, which were in powder and granular form, were conducted for real-time wall conditioning, ELM control, and divertor power exhaust at DIII-D [1]. Divertor configuration changes resulted in a redirection of SOL flows, which affected the conditioning of plasma-facing components on either the low field side or the high field side. Moreover, the injection location's poloidal shifts could modify the injected materials' penetration depths and trajectories in the plasma boundary. These changes had an impact on the local deposition of materials on plasma-facing components, which is essential for active conditioning and replenishment of functional coatings in future long-pulse scenarios.</p> <p>[1] F. Effenberg <em>et al</em> 2022 <em>Nucl. Fusion</em> <strong>62</strong> 106015 <strong>DOI</strong> 10.1088/1741-4326/ac899d</p>
Accurate prediction of the solid-state region of the Ni-Al phase diagram including configurational and vibrational entropy and magnetic effects
<p>Documentation for the Dataset used in the publication entitled "Accurate prediction of the solid-state region of the Ni-Al phase diagram including configurational and vibrational entropy and magnetic effects" <br>** These datasets comprise all configurations uesd in Ni-Al system and their formation enthalpies at different temperatures, where fcc Al and fcc Ni were used as reference state. **<br>** More details about the methodology can be found in the paper "Wei Shao, José Manuel Guevara-Vela, Antonio Fernández-Caballero, Sha Liu, Javier LLorca, Accurate prediction of the solid-state region of the Ni-Al phase diagram including configurational and vibrational entropy and magnetic effects, Acta Materialia, 2023"**</p> <p>1. bcc-Ni-Al.zip<br>- Description: bcc-Ni-Al.zip is a compressed folder. It contains Al1-xNix configurations with bcc lattice used to fit the cluster expansion (CE). Each folder contains a POSCAR file that corresponds to a configuration. The POSCAR can be opened with Notepad and visualized with VESTA software.</p> <p><br>2. bcc-with-vacancies-Ni-Al.zip<br>- Description: bcc-with-vacancies-Ni-Al.zip is a compressed folder. It contains (AlVa)x(AlNi)1-x configurations with bcc-with-vacancies lattice used to fit the CE. Each folder contains a POSCAR file that corresponds to a configuration. The POSCAR can be opened with Notepad and visualized with VESTA software.</p> <p><br>3. fcc-Ni-Al.zip<br>- Description: fcc-Ni-Al.zip is a compressed folder. It contains Al1-xNix configurations with fcc lattice used to fit the CE. Each folder contains a POSCAR file that corresponds to a configuration. The POSCAR can be opened with Notepad and visualized with VESTA software.</p> <p><br>4. Formation enthalpies of bcc-Ni-Al.xlsx<br>- Description: Formation enthalpies of bcc lattice in Ni-Al system at different temperatures, which includes the effect of lattice vibration. The fcc Al and fcc Ni were used as reference states.</p> <p>- Variable description by columns:<br> 1-(Folder name) - type: numerical (integer)<br> Description: Each folder name in the bcc-Ni-Al.zip corresponds to a configuration<br> 2- (at. fraction of Ni (%)) - type: numerical (float)<br> Description: The atomic fraction of Ni in each configuration<br> 3- (H_f^(conf)(DFT) (eV/atom) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 0 K calculated by density functional theory (DFT).<br> 4- (H_f^(conf)(CE)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 0 K fitted by CE. <br> 6- (at. fraction of Ni (%)) - type: numerical (float)<br> Description: The atomic fraction of Ni in each configuration<br> 7- (H_f^(conf+vib) (DFT+L-S) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 300 K calculated by DFT and bond length vs. bond stiffness relationship (L-S).<br> 8- (H_f^(conf+vib) (CE) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 300 K fitted by CE. <br> 10- (at. fraction of Ni (%)) - type: numerical (float)<br> Description: The atomic fraction of Ni in each configuration<br> 11- (H_f^(conf+vib) (DFT+L-S) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 600 K calculated by DFT and L-S.<br> 12- (H_f^(conf+vib) (CE) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 600 K fitted by CE. <br> 14- (at. fraction of Ni (%)) - type: numerical (float)<br> Description: The atomic fraction of Ni in each configuration<br> 15- (H_f^(conf+vib) (DFT+L-S) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 900 K calculated by DFT and L-S.<br> 16- (H_f^(conf+vib) (CE) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 900 K fitted by CE.<br> 18- (at. fraction of Ni (%)) - type: numerical (float)<br> Description: The atomic fraction of Ni in each configuration<br> 19- (H_f^(conf+vib) (DFT+L-S) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 1200 K calculated by DFT and L-S.<br> 20- (H_f^(conf+vib) (CE) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 1200 K fitted by CE.</p> <p><br>5. Formation enthalpies of bcc-with-vacancies-Ni-Al.xlsx<br>- Description: Formation enthalpies of bcc lattice with vacancies in Ni-Al system at different temperatures, which includes the effect of lattice vibration and magnetism. The fcc Al and fcc Ni were used as reference states.</p> <p>- Variable description by columns:<br> 1-(Folder name) - type: numerical (integer)<br> Description: Each folder name in the bcc-with-vacancies-Ni-Al.zip corresponds to a configuration.<br> 2- (at. fraction of AlVa (%)) - type: numerical (float)<br> Description: The atomic fraction of Ni in each configuration<br> 3- (H_f^(conf)(DFT) (eV/atom) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 0 K calculated by DFT.<br> 4- (H_f^(conf)(CE)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 0 K fitted by CE. <br> 6- (at. fraction of AlVa (%)) - type: numerical (float)<br> Description: The atomic fraction of Ni in each configuration<br> 7- (H_f^(conf+vib) (DFT+L-S) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 300 K calculated by DFT and L-S.<br> 8- (H_f^(conf+vib) (CE) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 300 K fitted by CE. <br> 10- (at. fraction of AlVa (%)) - type: numerical (float)<br> Description: The atomic fraction of Ni in each configuration<br> 11- (H_f^(conf+vib) (DFT+L-S) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 600 K calculated by DFT and L-S.<br> 12- (H_f^(conf+vib) (CE) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 600 K fitted by CE. <br> 14- (at. fraction of AlVa (%)) - type: numerical (float)<br> Description: The atomic fraction of Ni in each configuration<br> 15- (H_f^(conf+vib) (DFT+L-S) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 900 K calculated by DFT and L-S.<br> 16- (H_f^(conf+vib) (CE) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 900 K fitted by CE.<br> 18- (at. fraction of AlVa (%)) - type: numerical (float)<br> Description: The atomic fraction of Ni in each configuration<br> 19- (H_f^(conf+vib) (DFT+L-S) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 1200 K calculated by DFT and L-S.<br> 20- (H_f^(conf+vib) (CE) (eV/atom)) - type: numerical (float)<br> Description: Formation enthalpy of each configuration at 1200 K fitted by CE.</p> <p><br>6. Formation enthalpies of fcc-Ni-Al.xlsx<br>- Description: Formation enthalpies of fcc lattice in Ni-Al system at different temperatures, which includes the effect of lattice vibration. The fcc Al and fcc Ni were used as reference states.<br>- Variable descriptions by columns are the same as those of Formation enthalpies of bcc-Ni-Al.xlsx.</p> <p><br>7. ECIs of bcc-Ni-Al at different temperatures.txt<br>- Description: ECIs of bcc lattice in Ni-Al system from 0 to 2000 K with increment step of 10 K. The ECIs at different temperatures are separated by blank lines. ECIs at 0 K means that only configurational contribution was considered. ECIs at finite temperature means that both configurational and vibrational contributions were considered.</p> <p><br>8. ECIs of bcc-with-vacancies-Ni-Al at different temperatures.txt<br>- Description: ECIs of bcc lattice with vacancies in Ni-Al system from 0 to 2000 K with increment step of 10 K. The ECIs at different temperatures are separated by blank lines. ECIs at 0 K means that only configurational contribution was considered. ECIs at finite temperature means that both configurational and vibrational contributions were considered.</p> <p><br>9. ECIs of fcc-Ni-Al at different temperatures.txt<br>- Description: ECIs of hcp lattice in Ni-Al system from 0 to 2000 K with increment step of 10 K. The ECIs at different temperatures are separated by blank lines. ECIs at 0 K means that only configurational contribution was considered. ECIs at finite temperature means that both configurational and vibrational contributions were considered.</p> <p><br>10. Clusters of bcc-Ni-Al.txt<br>- Description: Cluster information of bcc lattice in Ni-Al system. Each cluster is separated by a blank line. Each cluster contains: multiplicity; Length of the longest pair within the cluster; number of points in cluster; coordinates of point. They are arranged in a row.</p> <p><br>11. Clusters of bcc-with-vacancies-Ni-Al.txt<br>- Description: Cluster information of bcc lattice with vacancies in Ni-Al system. Each cluster is separated by a blank line. Each cluster contains: multiplicity; Length of the longest pair within the cluster; number of points in cluster; coordinates of point. They are arranged in a row.</p> <p><br>12. Clusters of fcc-Ni-Al.txt<br>- Description: Cluster information of fcc lattice in Ni-Al system. Each cluster is separated by a blank line. Each cluster contains: multiplicity; Length of the longest pair within the cluster; number of points in cluster; coordinates of point. They are arranged in a row.</p>
Supporting data set for: Three-dimensional Configuration of Induced Magnetic Fields around Mars
<p>Supplementary data to reproduce figures for: Three-dimensional Configuration of Induced Magnetic Fields around Mars</p>
Evaluation by Magnetic Resonance Imaging of Intramuscular Injections Performance in Thigh With 2 Configurations of the Needle-free Injector ZENEO®.
ClinicalTrials.gov study NCT05967013. IPD Sharing: NO. Countries: 1. Publications: 0.
Performance Thresholds Evaluation by Wet Injection Quantification and Magnetic Resonance Imaging (MRI) of Subcutaneous and Intramuscular Injections (0,65ml) of Several Configurations of Needle-free De
ClinicalTrials.gov study NCT03044301. IPD Sharing: Not stated. Countries: 0. Publications: 0.
Performance Evaluation by Magnetic Resonance Imaging (MRI) of Intramuscular Thigh Injections With 3 Configurations of Needle-free Injector (ZENEO®)
ClinicalTrials.gov study NCT03225638. IPD Sharing: UNDECIDED. Countries: 0. Publications: 0.
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