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84 results for “Single crystals”
Single-Photon Emitters in Lead-Implanted Single-Crystal Diamond
<p>Single-Photon Emitters in Lead-Implanted Single-Crystal Diamond<br> We report on the creation and characterization of Pb-related color centers in diamond upon ion implantation and subsequent thermal annealing. Their optical emission in the photoluminescence (PL) regime consists of an articulated spectrum with intense emission peaks at 552.1 and 556.8 nm, accompanied by a set of additional lines in the 535−700 nm range. The attribution of the PL emission to stable Pb-based defects is corroborated by the correlation of its intensity with the implantation fluence of Pb ions. PL measurements performed as a function of sample temperature (in the 143−300 K range) and under different excitation wavelengths (i.e., 532, 514, 405 nm) suggest that the complex spectral features observed in Pb-implanted diamond might be related to a variety of different defects and/or charge states. The emission of the 552.1 and 556.8 nm lines is reported at the single-photon emitter level, demonstrating that they originate from the same individual defect. This work follows from previous reports on optically active centers in diamond based on group-IV impurities, such as Si, Ge, and Sn. In perspective, a comprehensive study of this set of defect complexes could bring significant insight on the common features involved in their formation and opto-physical properties, thus offering a basis for the development of a new generation of quantum-optical devices.We report on the creation and characterization of Pb-related color centers in diamond upon ion implantation and subsequent thermal annealing. Their optical emission in the photoluminescence (PL) regime consists of an articulated spectrum with intense emission peaks at 552.1 and 556.8 nm, accompanied by a set of additional lines in the 535−700 nm range. The attribution of the PL emission to stable Pb-based defects is corroborated by the correlation of its intensity with the implantation fluence of Pb ions. PL measurements performed as a function of sample temperature (in the 143−300 K range) and under different excitation wavelengths (i.e., 532, 514, 405 nm) suggest that the complex spectral features observed in Pb-implanted diamond might be related to a variety of different defects and/or charge states. The emission of the 552.1 and 556.8 nm lines is reported at the single-photon emitter level, demonstrating that they originate from the same individual defect. This work follows from previous reports on optically active centers in diamond based on group-IV impurities, such as Si, Ge, and Sn. In perspective, a comprehensive study of this set of defect complexes could bring significant insight on the common features involved in their formation and opto-physical properties, thus offering a basis for the development of a new generation of quantum-optical devices.</p>
Single-crystal X-ray diffractometry data for a sample of [Cu(HF₂)(pyrazine)₂]PF₆ collected on beamline I19-2 at Diamond Light Source
<p>Single-crystal X-ray diffractometry data for a sample of [Cu(HF₂)(pyrazine)₂]PF₆.</p> <p>These data were collected at Diamond Light Source, on beamline I19 (experiments hutch 2), on 2022-01-30, and are particularly useful for testing data reduction routines. They are known to produce good merging statistics and final structure refinement.</p> <p>The sample was prepared as follows:<br> Ammonium hexafluorophosphate (NH₄PF₆) (0.310 g, 1.9 mmol), ammonium hydrogen difluoride ((NH₄)HF₂) (0.109 g, 1.9 mmol) and pyrazine (C₄H₄N₂) (0.300 g, 3.7 mmol) were dissolved in 5 mL of deionised water. The obtained colourless solution was slowly added to a blue solution of copper(II) nitrate prepared by dissolving copper(II) nitrate hemipentahydrate (Cu(NO₃)₂ · 2.5(H₂O)) (0.425 g, 1.8 mmol) in 5 mL of deionised water. The solutions were mixed in a plastic beaker at room temperature. The formation of blue crystals of [Cu(HF₂)(pyrazine)₂]PF₆ on the side of the beaker started after few seconds and continued for about 24 hours during which the sealed beaker was not moved.</p> <p>The sample was measured at room temperature and the illuminating beam had a wavelength of 0.4859 Å (25.52 keV).</p> <p>Beamline I19-2 at Diamond Light Source, a four-circle κ-geometry diffractometer (see <a href="https://onlinelibrary.wiley.com/doi/10.1107/97809553602060000936">[Kern 2019]</a>) with an undulator source, is described in <a href="https://doi.org/10.1107/S0909049512008801">[Nowell 2012]</a> but has since been upgraded to use a Dectris Eiger2 X 4M CdTe hybrid photon counting detector. The data are written in the <a href="https://manual.nexusformat.org/classes/applications/NXmx.html">NXmx variant</a> of the <a href="https://www.nexusformat.org/">NeXus format</a>, and so include metadata with a functionally complete description of the diffractometer.</p> <p>Inventory of data:</p> <ul> <li><strong><code>01_CuHF2pyz2PF6b_Phi.tar.xz</code></strong><br> A single 1750-image 350° φ rotation scan from -175° to 175° with 0.2° rotation per image, an exposure time of 0.1 s per image, ω = -90°, κ = 0° and 2θ = 0°.</li> <li><strong><code>02_CuHF2pyz2PF6b_2T.tar.xz</code></strong><br> A single 1750-image 350° φ rotation scan from -175° to 175° with 0.2° rotation per image, an exposure time of 0.1 s per image, ω = -90°, κ = 0° and 2θ = 20°.</li> <li><strong><code>03_CuHF2pyz2PF6b_P_O.tar.xz</code></strong><br> Two sequential rotation scans: <ul> <li><strong><code>CuHF2pyz2PF6b_P_O_01.nxs</code></strong><br> A 1750-image 350° φ scan from -175° to 175° with ω = -90°, κ = 0° and 2θ = 0°.</li> <li><strong><code>CuHF2pyz2PF6b_P_O_02.nxs</code></strong><br> A 600-image 120° ω scan from -125° to -5° with φ = -90°, κ = 45° and 2θ = 0°.</li> </ul> Both scans had 0.2° rotation per image and an exposure time of 0.1 s per image.</li> </ul> <p>The same sample was used for all these measurements. Throughout, the sample-to-detector distance was 85 mm and the beam was attenuated to 0.2% of its full intensity.</p> <p>For each rotation scan, the data comprise a single top-level NXmx-format NeXus file named <code><filename>.nxs</code>, one or more image files named <code><filename>_00000n.h5</code>, where <code>n</code> is a numeral, and a single detector metadata file named <code><filename>_meta.h5</code>. The NeXus file contains an HDF5 virtual data set that links to the data in the image file(s), and several HDF5 external links to data in the detector metadata file.</p> <p>For internal reference of Diamond Light Source staff, these data were collected as part of commissioning visit CM31144-1. Some file names and corresponding HDF5 link targets have been altered from their original names for consistency with the file contents.</p>
Dataset for the article "Influence of oxidative and consequential reductive annealing on the photoluminescence intensity, decay time and morphology of ZnO single-crystal faces".
<p>Dataset for the article "Influence of oxidative and consequential reductive annealing on the photoluminescence intensity, decay time and morphology of ZnO single-crystal facets".</p> <p>David John1,2, Zdeněk Remeš1, Radim Novák1, Štěpán Remeš1, Jakub Volf1,3,4, Oleg Babčenko1, Egor Ukraintsev5, Bohuslav Rezek5, and Maksym Buryi3</p> <p>1 Institute of Physics of the Czech Academy of Sciences, Cukrovarnická 10/112, 162 00, Prague, Czech Republic<br>2 Faculty of Nuclear Sciences and Physical Engineering, Czech Technical University, Břehová 7, 115019, Prague, Czech Republic<br>3 Institute of Plasma Physics of the Czech Academy of Sciences, U Slovanky 2525/1a, 182 00, Prague, Czech Republic <br>4 Department of Inorganic Chemistry, University of Chemistry and Technology, Technická 5, Prague 6, 166 28, Czech Republic<br>5 Faculty of Electrical Engineering of the Czech Technical University, Technická 2, 160 00, Prague, Czech Republic</p> <p> </p> <p>Dataset description:</p> <p>08_08_2024_ZnO_41a_700C_O_CF4_Multi75_10x10um.0_00000 AFM data<br>08_08_2024_ZnO_41a_700C_O_CF4_Multi75_10x10um.0_00003 AFM data<br>16_08_2024_ZnO_700C_O_CF4Multi_10x10um.0_00001 AFM data<br>16_08_2024_ZnO_700C_O_CF4Multi_10x10um.0_00003 AFM data<br>afm zn AFM data<br>data phase shift fit phase shift data<br>grafy phase shift fit phase shift data<br>ZnO faces optical images</p>
Surfalex HF formability study - Workflow 2 - Fit single crystal parameters
<p>This MatFlow workflow is the second in a set of eight workflows developed during our formability study of the Surfalex HF (AA6016A) material. In this workflow, we calibrated crystal plasticity (CP) parameters using experimental data. The hardening coefficient, the initial and maximum CRSS values, and the hardening exponent, as defined in the CP phenomenological power law adopted by DAMASK were optimised. Starting from trial guesses for these parameters, we optimised the parameters with respect to the experimental stress-strain curve of the Surfalex HF material, using a Levenberg-Marquardt procedure. At each iteration of the process, N+1 CP simulations were performed (for N fitting parameters). Five iterations were used in total.</p> <p>This workflow can be downloaded and explored in a Jupyter notebook, as explained in the <a href="https://github.com/LightForm-group/surfalex_data_explorer">GitHub repository here</a>.</p>
Dataset for Link between Anisotropic Electrochemistry and Surface Transformations at Single Crystal Silicon Electrodes: Implications for Lithium Ion Batteries
<p>This dataset provides the raw data to the manuscript</p> <p>"<strong>Link between Anisotropic Electrochemistry and Surface Transformations at Single Crystal Silicon Electrodes: Implications for Lithium Ion Batteries"</strong></p> <p>Specifically, the following measurements are provided:</p> <ul> <li>Electrochemical measurements as cyclic voltammetry using scanning electrochemical cell microscopy for three different Si crystallographic orientations (100, 110, 311) in 1 M LiPF6 in ethylene carbonate - ethyl methyl carbonate ("SECCM/")</li> <li>Scanning electron microscopy and transmission electron microscopy imaging of pristine and cycled samples ("Images/")</li> </ul>
→ Fig. 10. FESEM images of the test structure in lagenid foraminifers from Recent, Admiralty Bay, King George Island, West Antarctica (A) and from the Jurassic of Gnaszyn, Poland (B, C). A. Unilocular Procerolagena gracilis Williamson, 1848, MWGUW ZI/67/44/02. B. Unilocular Lagena globosa Montagu, 1803, MWGUW ZI/67/61/09. C. Uniserial Nodosaria pulchra Franke, 1936, MWGUW ZI/67/61/26. Oblique cross-sectional views (A1, A2, A4, B1, B2, C); transverse cross-sectional views, showing single-crystal interlocked bundle structures, inner pores which extend along the entire length of the bundles as well as prominent calcite cleavage (A3, B3). Abbreviations: c, prominent calcite cleavage; ip, inner pore. in Chamber arrangement versus wall structure in the high-rank phylogenetic classification of Foraminifera
→ Fig. 10. FESEM images of the test structure in lagenid foraminifers from Recent, Admiralty Bay, King George Island, West Antarctica (A) and from the Jurassic of Gnaszyn, Poland (B, C). A. Unilocular Procerolagena gracilis Williamson, 1848, MWGUW ZI/67/44/02. B. Unilocular Lagena globosa Montagu, 1803, MWGUW ZI/67/61/09. C. Uniserial Nodosaria pulchra Franke, 1936, MWGUW ZI/67/61/26. Oblique cross-sectional views (A1, A2, A4, B1, B2, C); transverse cross-sectional views, showing single-crystal interlocked bundle structures, inner pores which extend along the entire length of the bundles as well as prominent calcite cleavage (A3, B3). Abbreviations: c, prominent calcite cleavage; ip, inner pore.
BAM Reference Data: Creep of Single-Crystal Ni-Based Superalloy CMSX-6
<p>This publication provides comprehensive metadata and test results of constant force creep tests according to <br>DIN EN ISO 204:2019-4 on the single crystal Ni-based superalloy CMSX-6 at T = 980 °C and initial stresses<br>between 140 MPa and 230 MPa. The tests were carried out in an accredited test laboratory using calibrated <br>measuring equipment. The data were audited and are BAM reference data.</p>
Text-fig. 5. Lithocarpoxylon ashwillii sp. nov., UF 279-24544. a, b: Semi-ring porous wood, exclusively solitary vessels in a radial/ diagonal arrangement, diffuse axial parenchyma, TS. c: Homocellular rays composed of procumbent cells; vasicentric tracheids; vessel elements with simple perforation plates (PP), TLS. d: Vessel-ray parenchyma pits (VRP) with reduced borders, vertical, RLS. e: Crystalliferous axial parenchyma strand (C) with a single crystal per chamber; ray with procumbent cells, RLS. f: Aggregate ray (right) composed of loosely associated 1–2-seriate rays, TLS. g: Uniseriate rays, thin-walled tyloses in vessels, vasicentric tracheids (VT). Lithocarpoxylon sp., UF 279-84864. h, i: Semi-ring porous wood, exclusively solitary vessels in radial arrangement. j: Aggregate ray and uniseriate rays. k: Scalariform perforation plate with fewer than 10 bars. l: Vessel-ray parenchyma pits with reduced borders to simple, vertical. Scale bars: 200 µm in a, b, f, h, j; 100 µm in c, i; 50 µm in d. e; 20 µm in k, l. in A Diverse Assemblage Of Late Eocene Woods From Oregon, Western Usa
Text-fig. 5. Lithocarpoxylon ashwillii sp. nov., UF 279-24544. a, b: Semi-ring porous wood, exclusively solitary vessels in a radial/ diagonal arrangement, diffuse axial parenchyma, TS. c: Homocellular rays composed of procumbent cells; vasicentric tracheids; vessel elements with simple perforation plates (PP), TLS. d: Vessel-ray parenchyma pits (VRP) with reduced borders, vertical, RLS. e: Crystalliferous axial parenchyma strand (C) with a single crystal per chamber; ray with procumbent cells, RLS. f: Aggregate ray (right) composed of loosely associated 1–2-seriate rays, TLS. g: Uniseriate rays, thin-walled tyloses in vessels, vasicentric tracheids (VT). Lithocarpoxylon sp., UF 279-84864. h, i: Semi-ring porous wood, exclusively solitary vessels in radial arrangement. j: Aggregate ray and uniseriate rays. k: Scalariform perforation plate with fewer than 10 bars. l: Vessel-ray parenchyma pits with reduced borders to simple, vertical. Scale bars: 200 µm in a, b, f, h, j; 100 µm in c, i; 50 µm in d. e; 20 µm in k, l.
Single Crystal X-ray diffraction data for D-phgAT
<p>Single Crystal X-ray diffraction data for Dpg-AT from <em>Pseudomonas stutzeri. </em>Data collected at Diamond Light Source, on beamline I03 on 18/02/2017.</p>
DATASET: Facet-Dependent Formation and Adhesion of Au Oxide and Nanoporous Au on Poly-Oriented Au Single Crystals
<p>This project contains all the data shown in the manuscript or SI titled 'Facet-Dependent Formation and Adhesion of Au Oxide and Nanoporous Au on Poly-Oriented Au Single Crystals' (doi:10.26434/chemrxiv-2023-nf7v3). For each figure, a folder was created in which the corresponding data can be found.</p>
Single crystal diffraction images for a room temperature data collection on the LEF-PG co-crystal.
<p>A set of diffraction images collected on a Rigaku FRE+ diffractometer, equipped with HF Varimax confocal mirrors and an AFC12 goniometer and HG Saturn 724+ detector diffractometer.</p> <p>The sample is an organic co-crystal that forms part of a study of the LEF active pharmaceutical ingredient with a range of coformers. The structure with the PG coformer shows strong signs of modulation in the diffraction pattern and structure refinement. The model presented in the paper (submitted to Crystal Growth and Design) does not account for any modulation and serves the purpose of a suitable degree of characterisation precision for this article. </p> <p>The authors wish to make the raw data available so that those with interest and experise in handling modulated structures can perform more detailed modelling studies and/or use the data to test software or for training examples.</p>
Single crystal diffraction raw data for Fampridine hydrochloride Phase 2
<p>A set of diffraction images in Rigaku Oxford Diffraction (img) format, collected on a Rigaku FRE+ diffractometer, equipped with HF Varimax confocal mirrors and an AFC12 goniometer and HG Saturn 724+ detector diffractometer.</p> <p>The sample is Phase 2 of the Fampridine hydrochloride organic salt - a system that forms numerous complicated phases. The authors wish to make the raw data available so that those who wish to explore the modelling of these exceptionally complex systems may process the data themselves.</p>
Single-crystal X-ray diffractometry data for a sample of NiCl₂-dppe collected on beamline I19-2 at Diamond Light Source
<p>Single-crystal X-ray diffractometry data for a sample of [1,2-Bis(diphenylphosphino)ethane]dichloronickel(II) (NiCl<sub>2</sub>-dppe, [(C<sub>6</sub>H<sub>5</sub>)<sub>2</sub>PCH<sub>2</sub>CH<sub>2</sub>P(C<sub>6</sub>H<sub>5</sub>)<sub>2</sub>]NiCl<sub>2</sub>).</p> <p>Data collected at Diamond Light Source I19-2 on 2015-05-18, publicly available for users to test data reduction routines. Data are known to produce good merging statistics and final refinements.</p> <p>The sample was prepared as follows:<br> Nickel chloride (II) hexahydrate (1 g, 2 mmol) was heated under vacuum to produce anhydrous nickel chloride (II) with a visible colour change from green to yellow. The resulting solid was taken up in ethanol (5 ml) and added to 1,2-bis(dimethylphosphine)ethane (dppe) (0.837 g, 2 mmol) in ethanol (10 ml). The solution was refluxed for 3 hour after which the solvent was evaporated. The small red crystals were purified by recrystallisation in acetone (70% yield).</p> <p>The sample was held at an approximate temperature of 150 K and the illuminating beam had a wavelength of 0.68890 Å (17.997 keV). The detector was held at 2θ = 25° throughout.</p> <p>Inventory of data:<br> <strong>010_Ni_dppe_Cl_2_150K01</strong> — 130° ω scan, 0.4° images, 0.4s per image, 325 images; κ = 45°, φ = 160°.<br> <strong>010_Ni_dppe_Cl_2_150K02</strong> — 130° ω scan, 0.4° images, 0.4s per image, 325 images; κ = 45°, φ = 40°.<br> <strong>010_Ni_dppe_Cl_2_150K03</strong> — 130° ω scan, 0.4° images, 0.4s per image, 325 images; κ = 45°, φ = -80°.<br> <strong>010_Ni_dppe_Cl_2_150K04</strong> — 198° ω scan, 0.4° images, 0.4s per image, 495 images; κ = 0°, φ = -80°.</p>
Dataset for "High power single crystal KTA optical parametric amplifier for efficient 1.4–3.5 µm mid-IR radiation generation"
<p>The dataset represents the experimental data for publication "High power single crystal KTA optical parametric amplifier for efficient 1.4–3.5 µm mid-IR radiation generation".</p>
Porous single crystal unit-cell simulation database for ductile fracture by void growth and coalescence
<p>Ductile fracture through void growth to coalescence occurs at the grain scale in numerous metallic alloys encountered in engineering applications. In order to perform mechanical homogenization of porous single crystals, a database of porous single crystal unit-cell simulation results has been gathered through Finite Element Modeling and Fast-Fourrier Transform simulations, respectively performed on Z-set and Amitex_FFTP. In these simulations, a cubic unit-cell with a unique central spherical void undergo axisymmetric mechanical loading. Mechanical simulations are performed within finite strain theory. Input parameters of interest are stress triaxiality, crystallographic orientation, initial porosity and strain hardening law type; results include macroscopic stress, macroscopic deformation gradient, porosity, void aspect ratio, ligament size and cell aspect ratio.</p>
Single crystal X-ray diffraction data for Rhizobium radiobacter N-carbamoyl-beta-alanine amidohydrolase
<p>Single crystal X-ray diffraction data for Rhizobium radiobacter N-carbamoyl-beta-alanine amidohydrolase collected from crystals produced as below:</p> <p>Purified recombinant RrCβAA was concentrated to 15 mg/mL using a 10 kDa MWCO centrifugal concentrator (Vivaspin) and subjected to sitting drop vapor diffusion crystallization screening with commercial screens from Molecular Dimensions and Hampton Research. Drops of 100 nL protein plus 100 nL well solution were set up against wells containing 70 L of crystallisation solutions. After two weeks crystals were found in xxx condition. An optimisation screen based on this condition was set up in 24 well plates by varying the PEG1500 concentration and MMT buffer pH. Drops of 1 μL protein and 1 μL well solution were set up on plastic cover slips over wells containing 1 ml crystallisation solution. Crystals grew in a well solution containing 23 % (w/v) PEG1500 and 100 mM MMT pH 6.0. Crystals were harvested with a LithoLoop (Molecular Dimensions Limited) and transferred to a cryoprotection solution of well solution supplemented with 50 % PEG400. Cryoprotected crystals were flash cooled in liquid nitrogen. </p>
Compilation of LCF and TMF Data for Single-Crystal and Directionally-Solidified Ni-base Superalloys Loaded in <001>
<p>This Excel file contains a compilation of low cycle fatigue (LCF) and thermomechanical fatigue (TMF) data for single-crystal (SX) and directionally-solidified (DS) Ni-base superalloys that are typically used for blades and vanes in gas turbines. Most of the data is generated by strain-controlled uniaxial fatigue tests. Both continuous cycling and cycles with dwells (hold times) at either the maximum or minimum of the cycle are included in the dataset.</p> <p>Several different alloys with similar mechanical behaviors are included in the dataset. The dataset only includes materials that have undergone a solution and age heat treatment typical of that applied to blade and vane components. All the fatigue data in this dataset is limited to uniaxial cyclic loading in the <001> direction for SX and in the longitudinal direction for DS alloys. The data in this dataset has been extracted from the public domain. The sources of the data are included in the Excel file.</p> <p>This data is used to train a Probabilistic Physics-guided Neural Network (PPgNN) that outputs a strain-life curve, including the mean response and 95% confidence intervals. The INPUTS and OUTPUTS used in the PPgNN are highlighted in the Excel file.</p>
Polarization resolved data of (PEA)2PbI4 single crystal
<p>This dataset includes reflectivity (folder r) and photoluminescence (folder pl) spectra of a single crystal (PEA)2PbI4 measured as a function of the linear polarization of the detected signal. The measurements are carried out at 6K. The number indicated in the file name corresponds to the angle of the half-wave plated used to rotate the linear polarization.</p>
Simultaneous X-ray diffraction from multiple single crystals of macromolecules
<p>X-ray diffraction datasets from the<br /> publication: K. S. Paithankar, H. O. Sørensen, J. P. Wright, S. Schmidt, H. F. Poulsen and E. F. Garman*</p> <p>Acta Cryst. (2011). D67, 608-618 doi:10.1107/S0907444911015617</p> <p>The potential in macromolecular crystallography for using multiple crystals to collect X-ray diffraction data simultaneously from assemblies of up to seven crystals is explored. The basic features of the algorithms used to extract data and their practical implementation are described. The procedure could be useful both in relation to diffraction data obtained from intergrown crystals and to alleviate the problem of rapid diffraction decay arising from the effects of radiation damage.</p>
Single crystal X-ray diffraction data for Hoch_3836 (1-98)
<p>Single crystal X-ray diffraction data for Hoch_3836 (1-987) related to PDBID: 5N5F</p> <p>Data collected at Diamond Light Source, UK.</p>
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Allen Brain Atlas
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Annotated Behaviour and Observability Dataset (ABODe)
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DANDI Archive for NWB datasets
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International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
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.