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84 results for “single crystal”
Brittle and Crystal-Plastic Defect Dynamics of Calcite Single Crystals
<p>Dataset for paper containing zip files with images, video files, mechanical and acoustic data for each experiment.</p>
Underlying data for: The Fe addition as an effective treatment for improving the radiation resistance of fcc NixFe1-x single-crystal alloys
<div> <p>The set contains 5 folders (TEM, SRIM, Nanoindentation, MC/MD simulations and RBSc_MSDA) containing raw test results for a specific method.</p> <p><strong>→ TEM</strong></p> <p>In TEM folder there are 2 sub-folders named “2e14 (0.5 dpa)” and “1e15 (12 dpa). In each sub-folder there are 8 original images that make up Figure 7 and Figure 8 in the paper. Below please find the description:</p> <p><strong>Fig.7.</strong> A) Cross-sectional TEM images of the Ni, Ni<sub>0.77</sub>Fe<sub>0.23,</sub> Ni<sub>0.62</sub>Fe<sub>0.38</sub> and Ni<sub>0.38</sub>Fe<sub>0.62 </sub>irradiated with a fluence of 2×10<sup>14</sup> ions/cm<sup>2</sup> compared with SRIM calculations. B) Bright-field images of Ni, Ni<sub>0.77</sub>Fe<sub>0.23,</sub> Ni<sub>0.62</sub>Fe<sub>0.38</sub> and Ni<sub>0.38</sub>Fe<sub>0.62 </sub>irradiated with a fluence of 4×10<sup>15</sup> ions/cm<sup>2</sup>. The red arrow indicates dislocation loops, green – defect clusters and yellow – SFT.</p> <p><strong>Fig.8.</strong> A) Cross-sectional TEM images of the Ni, Ni<sub>0.77</sub>Fe<sub>0.23,</sub> Ni<sub>0.62</sub>Fe<sub>0.38</sub> and Ni<sub>0.38</sub>Fe<sub>0.62 </sub>irradiated with a fluence of 4×10<sup>15</sup> ions/cm<sup>2</sup> compared with SRIM calculations. B) Bright-field images of Ni, Ni<sub>0.77</sub>Fe<sub>0.23,</sub> Ni<sub>0.62</sub>Fe<sub>0.38</sub> and Ni<sub>0.38</sub>Fe<sub>0.62 </sub>irradiated with a fluence of 4×10<sup>15</sup> ions/cm<sup>2</sup>. The red arrow indicates dislocation loops, blue – dislocation lines, green – defect clusters and yellow – SFT.</p> <p> </p> <p>To be able to reproduce Fig.9 and Fig.10 one needs images taken at 500k (attached in the files) and follow the instruction given in the article:</p> “Moreover, in Fig.9 B defect densities have been calculated to better understand the defect configuration for various compositions. Calculations were made based on the TEM images taken at the peak damaged region (at the highest magnification of 500k). For this measurement, lamellae thickness was also measured at the peak damage region only. The densities were calculated by counting the defect sizes in a unit volume of crystalline material (based on the same image where an average defect size was calculated and presented in Fig.8 A).”</div> <p>The lamella size was as follows:</p> <table> <tbody> <tr> <td> </td> <td>0.5 dpa</td> <td>12 dpa</td> </tr> <tr> <td> </td> <td>Lamella thickness</td> </tr> <tr> <td>Ni</td> <td>54</td> <td>117</td> </tr> <tr> <td>Ni<sub>0.62</sub>Fe<sub>0.38</sub></td> <td>56</td> <td>119</td> </tr> <tr> <td>Ni<sub>0.38</sub>Fe<sub>0.62</sub></td> <td>82</td> <td>83</td> </tr> </tbody> </table> <p>Surface area for all the materials [m<sup>2</sup>] - 1,08138E-13</p> <p> </p> <p><strong>→ SRIM</strong></p> <p>In SRIM folder there are two subfolders named: “Ni” NiFe62”. In each folder there are 3 .txt files (RANGE.txt file, VACANCY.txt and NOVAC.txt) that makes up the Fig. 1 in the paper.</p> <p>“The corresponding displacement per atom (dpa) profiles were predicted by the SRIM code for all elements using the full cascade mode. The dpa has been calculated based on the following equation according to recommendations of [28,29]:</p> <p> </p> <p><em>dpa = [fluence (ions/cm<sup>2</sup>) × total vacancies/A-ion × 10<sup>8</sup>] /atomic density (atoms/cm<sup>3</sup>) (1)</em></p> <p>“</p> <p>“The ion distribution was estimated from the RANGE.txt file. The corresponding dpa profiles were calculated using two files, VACANCY.txt and NOVAC.txt, under an assumed displacement energy threshold of 40 eV for all elements. The dpa profile is the sum of the vacancy concentrations using the column of “Knock-Ons” for Ni ions and the columns of “Vacancies” from target elements (the sum of Ni vacancies and Fe vacancies in the case of Ni<sub>x</sub>Fe<sub>1</sub><sub>−</sub><sub>x</sub>) in VACANCY.txt, together with the replacement collisions in NOVAC.txt. [31].”</p> <p> </p> <p><strong>→ Nanoindentation</strong></p> <p>In “Nanoindentation” folder there are four subfolders (“Fig.5 A – virgin multicycle”, “Fig.5 B – hardness versus fluence”, “Fig.5 C – LD curve 0.1 dpa”,” Fig.5 D – LD curve 12 dpa”), which appropriately reproduces the figures 5A, B, C and D. In folder “Fig.5 A – virgin multicycle” there is an excel file with all the data needed to reproduce Fig. 5 A. In folder “Fig.5 B – hardness versus fluence” there is an excel file with all the data needed to reproduce Fig. 5 B. There are bookmarks in excel “Ni”, “NiFe12”,”NiFe23”, “NiFe38”, “NiFe62”, where are the data obtained for each material and each fluence. Hardness value is obtained as sum of an average hardness obtained in the multicycle mode (at each particular load). In folder “Fig.5 C – LD curve 0.1 dpa” there are five .txt files needed to reproduce each of Load-Displacement curve at the damage level of 0,1 dpa (“LD Ni 0,1 dpa.txt”, “LD NiFe12 0,1 dpa.txt”, “LD NiFe23 0,1 dpa.txt”, “LD NiFe38 0,1 dpa.txt”, “LD NiFe62 0,1 dpa.txt”). In folder, ”Fig.5 D – LD curve 12 dpa” there are five .txt files needed to reproduce each of Load-Displacement curve at the damage level of 12 dpa (“LD Ni 12 dpa.txt”, “LD NiFe12 12 dpa.txt”, “LD NiFe23 12 dpa.txt”, “LD NiFe38 12 dpa.txt”, “LD NiFe62 12 dpa.txt”).</p> <p><strong>→ </strong><strong>MC/MD Simulations</strong></p> <p>In “MC/MD Simulations” folder there are two subfolders: “Fig. 6a” and “Fig. 6b”. In subfolder “Fig. 6a” there are 4 .txt files which make up Fig. 6a – “Ni38Fe62-swaps-energy.txt”, “Ni62Fe38-swaps-energy.txt”, “Ni77Fe23-swaps-energy.txt”, “Ni88Fe12-swaps-energy”. In subfolder “Fig. 6b” there are 4 .txt files which make up Fig. 6b – “Ni38Fe62-swaps-l12.txt”, “Ni62Fe38-swaps-l12.txt”, “Ni77Fe23-swaps-l12.txt”, “Ni88Fe12-swaps-l12.txt”. Moreover, in the main “MC/MD Simulations” folder one can find 4 movies (namely: “Ni38Fe62”, “Ni62Fe38”, “Ni77Fe23”, “Ni88Fe12“), which shows nanoprecipitation during hybrid MD-MC.</p> <p><strong>→ RBS/C_MSDA</strong></p> <p>In “RBS/C, MSDA” folder there is one origin .opj file “NiFe_implanted_Ni_2e14-2e15_rbs_1.62He_165degr”, in which one can find all the <u>experimentally obtained spectra</u>. “<em>These spectra </em><em>for pure Ni and Ni<sub>x</sub>Fe<sub>1-x</sub> alloys irradiated with different fluences were simulated using the Monte Carlo McChasy code developed at the NCBJ [30,32]. The energy of the backscattered particle can be directly related to the depth at which the close encounter scattering event occurred. The bulk scattering arises from particles that have been deflected atomic rows and have crossed over to another row, where they undergo a close-encounter event. To reveal the damage kinetics for investigated alloys the Multi-Step Damage Accumulation (MSDA) analysis was performed [33,34]. This model is based on the equation assuming that the damage accumulation occurs through a series of structural transformations caused by the destabilization of the present crystal structure</em>.”</p> <p>“<em>Points in the MSDA figure are corresponding to maximal values of extended defects formed in irradiated materials. Solid lines are the fits made following the MSDA equation [30,33,34]:</em></p> <p>f_{d} = \sum_{i=1}^{n}(f_{d, i}^{sat} - f_{d, i-1}^{sat})G[1-exp(\sigma_{i}(\Phi - \Phi_{i-1})))]</p> <p>where:</p> <p>\sigma_{i}<em> </em> - <em>cross-section for the formation of a given kind of defect</em></p> <p>f_{d, i}^{sat} <em>- level of damage at saturation for i-th kind of defects</em></p> <p>\Phi{i} <em>- fluence threshold for triggering the formation of i-th kind of defects “</em></p> <p> </p> <p> </p> <p> </p> <p><span>“Financial support from the National Science Centre, Poland through the </span><a href="https://www.sciencedirect.com/science/article/pii/S0169433224017045#gp010" target="_blank" rel="noopener noreferrer">PRELUDIUM 21</a><span> program in the frame of grant no. </span><a href="https://www.sciencedirect.com/science/article/pii/S0169433224017045#gp010" target="_blank" rel="noopener noreferrer">2022/45/N/ST5/02980</a><span> is gratefully acknowledged.”</span></p> <p> </p>
Scanning transmission electron microscopy data of LiNi0.5Co0.2Mn0.3O2 single crystal Cathode materials during degradation process
<p>Scanning transmission electron microscopy data of LiNi0.5Co0.2Mn0.3O2 single-crystal Cathode materials during the degradation process</p>
MicroED Characterization of a Robust Cationic σ-Alkane Complex Stabilized by the [B(3,5-(SF5)2C6H3)4]– Anion, via On-Grid Solid/Gas Single-Crystal to Single-Crystal Reactivity.
<p>3DED/MicroED datasets collected using a Thermo Fisher Scientific Glacios microscope equipped with a Ceta-D Camera associated with the publication "MicroED Characterization of a Robust Cationic σ-Alkane Complex Stabilized by the [B(3,5- (SF5)2C6H3)4]– Anion, via On-Grid Solid/Gas Single-Crystal to Single-Crystal Reactivity." published in <a href="https://doi.org/10.1039/D2DT00335J">Dalton Transactions</a>. </p> <p>Data collection details: </p> <p>200kV, microprobe, gun lens 4, spot size 11, 30 µm C2 aperture. Illuminated area was ~4 µm and a 40 µm SA aperture was used. Under these conditions flux is ~0.01 e-/Å^2/s. Camera length calibrated from Al powder was 958.5 mm. Data acquired using EPU-D with following settings: 2x binning, 0.5 °/s, 2s exposure, rolling shutter, noise reduction mode enabled. </p> <p>MRC format images can be processed with DIALS using the FormatMRC dxtbx format (distributed with DIALS from version 3.5 onwards), use goniometer.axes=1,0,0. Some processing notes for the σ-alkane Complex ([1-NBA][S-BArF4] in the paper) can be found <a href="https://github.com/huwjenkins/ed_scripts/wiki/Processing-%5BRh(NBA)(dcpe)%5D%5BB(ArSF5)4%5D-data-from-zenodo.org-record-5760938">here</a>.</p>
single crystal XRD of FeO
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Single Crystal X-ray Diffraction Data for mixed PMP/PLP internal aldimine form of Sphingopyxis sp. MTA144 FumI protein
<p>Single Crystal X-ray Diffraction Data for mixed PMP/PLP internal aldimine form of Sphingopyxis sp. MTA144 FumI protein collected at Diamond Light Source, Beamline I04, 2017-09-09</p>
Gas permeation through single-crystal ZIF-8 membranes
<p>Dataset supporting publication: Chen Chen, Aydin Ozcan, A. Ozgur Yazaydin and Bradley P. Ladewig, Gas permeation through single-crystal ZIF-8 membranes, <em>Journal of Membrane Science</em>, <a href="http://Chen Chen, Aydin Ozcan, A. Ozgur Yazaydin and Bradley P. Ladewig, Gas permeation through single-crystal ZIF-8 membranes, Journal of Membrane Science, https://doi.org/10.1016/j.memsci.2019.01.027">https://doi.org/10.1016/j.memsci.2019.01.027</a></p> <p>Dataset supporting preprint: Chen, Chen; Ozcan, Aydin; Yazaydin, A. Ozgur; Ladewig, Bradley (2019): Gas Permeation Through Single-Crystal ZIF-8 Membranes. <em>ChemRxiv</em>. Preprint. <a href="https://doi.org/10.26434/chemrxiv.7571186.v1">https://doi.org/10.26434/chemrxiv.7571186.v1</a></p>
Replication Data for: (111)-oriented, single crystal diamond tips for nanoscale scanning probe imaging of out-of-plane magnetic fields
<p>Data repository for: <strong>(111)-oriented, single crystal diamond tips for nanoscale scanning probe imaging of out-of-plane magnetic fields</strong></p> <p><em>Data description.pdf </em>describes the uploaded data.<br> <em>Data.xlsx</em> is the data represented in the paper.</p>
Light-Induced Polaronic Crystals in Single-Layer Transition Metal Dichalcogenides
<p>Publication set for Light-Induced Polaronic Crystals in Single-Layer Transition Metal Dichalcogenides,</p> <p>Nano Letters <span>2024</span><span>, 24</span><span>, 42</span><span>, 13179–13184, <a title="DOI URL" href="https://doi.org/10.1021/acs.nanolett.4c03065">https://doi.org/10.1021/acs.nanolett.4c03065</a></span></p> <p> </p>
Data set for phase-field studies of crystal growth in single-seal syntaxial veins in limestone
<p>The numerical data in this repository consists of the simulation data of single-seal syntaxial calcite vein formation in limestone. The simulations were performed using the software package named "Pace3D (v. 2.5.1)".</p> <p>The data is organized, the way it appears in the figures in the manuscript and the folders are named accordingly.</p> <ul> <li>The simulation data shows intermediate growth stages and was converted from Pace3D output data format to VTK data format. The VTK files can be visualized using open source software packages like Paraview. The data files in each subfolder are also compressed (file format *.gz). For visualization the data has to be decompressed (e.g. with gzip, 7zip).</li> </ul>
High-Pressure Single-Crystal Elasticity of Corundum: Implication for Multiple Seismic Structure of 660-km Discontinuity
<p>Here are the experimental data.</p>
Supporting data for the manuscript: Sound velocity anisotropy and single-crystal elastic moduli of MgO to 43 GPa
<p><span>The uploaded two sets of experimental data contain the raw TDBS signals recorded at each pressure step for the MgO [100] and [111] samples. Please note that each ".txt" file contains two columns of data, the first column is time in picosecond, the second column is the relative change of reflectivity.</span></p> <p><span>The uploaded Tables "Table MgO 100" and "Table MgO 111" summarize our processed experimental data, as well as the recently measured refractive indexes and accordingly the derived longitudinal sound velocities. In which, the pressures are given in GPa, Brillouin frequencies in GHz, longitudinal sound velocities </span><em><span>V</span></em><span>L<100> </span><span>and </span><em><span>V</span></em><span>L<</span><span>111></span><span> in km/s. Refractive indexes are dimensionless.</span></p>
Single-Scattering property database of randomly oriented very complex ice crystals in the microwave
<p>A database consisting of the single-scattering properties of budding rosette aggregates and rosette aggregates calculated at frequencies in the mm-wave and sub-mm-wave regions of the electromagnetic spectrum. The full set of single-scattering properties have been made available at the temperatures of -83 degree C, -43 degree C, and -3 degree C at the frequencies of 50, 183 and 243 GHz. Other frequencies will become available once completed in the sub-mm-wave region of the spectrum. The maximum dimensions of the ice crystals vary between 10 and 10,000 microns. The accompanying data is made available under the terms of the Non-Commercial Government License https://www.nationalarchives.gov.uk/doc/non-commercial-<br> government-licence/version/2/</p>
High-Pressure Single-Crystal Elasticity of Corundum: Implication for Multiple Seismic Structure of 660-km Discontinuity
<p>Here are the experimental data.</p>
Supporting data for the manuscript: Sound velocity anisotropy and single-crystal elastic moduli of MgO to 43 GPa
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Shape-controlled single-crystal growth of InP at low temperatures down to 220 ℃
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Low temperature selective growth of GaN single crystals on pre-patterned Si substrates_experimental dataset
<p>This file contains the raw unprocessed experimental data for the results published in Jindřich Mach et al., <strong>Low temperature selective growth of GaN single crystals on pre-patterned Si substrates</strong>, Applied Surface Science, Volume 497, 16 August 2019, 143705. </p>
Efficiency Optimization of Ge-V Quantum Emitters in Single-Crystal Diamond upon Ion Implantation and HPHT Annealing
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Raw and processed single-crystal diffraction data of the compound [(Ph3PO)2H][AuI4]
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Raw and processed single-crystal diffraction data of the compound DPPM(AuBr)2
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International Brain Laboratory public data
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OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.