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689 results for “crystals”
Ultrathin piezoelectric resonators based on graphene and free-standing single crystal BaTiO3
<p>Data files for Figures 1-5 in the manuscript titled "Ultrathin piezoelectric resonators based on graphene and free-standing single crystal BaTiO3"</p>
Single crystal X-ray diffraction data of Th-TCPE and Ce-TCPE
<p><span>Two new </span><span>MOFs (Th/ Ce </span><span>-TCPE) based on 1,2,4,5-tetrakis(4-carboxyphenyl)ethylene (H4TCPE) were obtained using a straightforward reaction under moderate conditions. Th and Ce form</span><span>ed</span><span> the central units of this MOF in the mononuclear and in the unusual trinuclear cluster configurations, respectively. The resulting MOFs were analyzed by fluorescence spectroscopy to understand their luminescence. The obtained data revealed that benzene's electron cloud density and torsion angle on the ligand were affected by the acetic acid molecule and Th(IV), which caused Th-TCPE to irradiate stronger blue emission, but Ce-TCPE showed no fluorescence due to the self-quenching. Such unique luminescence property could be used for fluorescence or radiopharmaceutical sensing.</span></p>
Continuous generation of topological defects in a passively driven nematic liquid crystal DATA
<p>Data and code associated with the paper titled "Continuous generation of topological defects in a passively driven nematic liquid crystal".</p>
Liquid-liquid phase reaction between crystal violet and sodium hydroxide: kinetic study and precipitate analysis
<p>To investigate reaction order and kinetic parameters of the reaction between crystal violet (CV) and sodium hydroxide (NaOH), various concentrations of the reactants were applied. The present work also verifies the unknown solid product produced under highly concentrated conditions. The reaction orders of CV and NaOH were determined to be 1 and 1.17 by pseudo-rate method, respectively, with a rate constant, k, of 0.084 [(M-1.17) s-1]. In addition to pseudo-rate method, the half-life approach is use to calculated the overall reaction order to verify the accuracy of pseudo-rate method. The overall reaction order is determined to be 1.9 by half-life method. Compare reaction order gained from both methods, the overall reaction order is determined as ~2. The precipitate formation was observed when high concentrations of CV (0.01~0.1 M) and NaOH (1.0 M) were applied. Fourier transform infrared (FTIR) spectroscopy was used to compare the spectra of the precipitate generated and a commercial solvent violet 9 (SV9). Based on the FTIR spectra, it was confirmed that the molecular structure of the precipitate matched that of solvent violet 9.</p>
Single-crystal elasticity of phase E at high pressure and temperature: Implications for the low-velocity layer atop the 410-km depth
<p>This is the dataset for the paper "Single-crystal elasticity of phase E at high pressure and temperature: Implications for the low-velocity layer atop the 410-km depth".</p>
Crystal Palace Water Tower Ruins
The ruins of one of the south water tower at Crystal Palace Park, London. It is located next to the Crystal Palace Museum. The towers were demolished in WW2 so as not to become navigation aids for the enemy. Date: 1855 314 photos taken in February 2020 with a Sony a6000 and processed in Reality Capture. Source: Objaverse 1.0 / Sketchfab
Crystal Palace Cinema from realityvirtual.co
Crystal Palace 1920's Cinema Projection Room square made using the photos dataset provided by Simon Che de Boer (realityvirtual.co) Thanks a lot for sharing!! :-) https://sketchfab.com/models/7cd03d4060ba4c6d91bde0949f71f5d9 full room scan here More info about Crystal Palace https://vimeo.com/132294910 You can download the full dataset here https://drive.google.com/file/d/1McPOAd2Yn_au1brAlosIC75v9shUbQ8z/view Source: Objaverse 1.0 / Sketchfab
Crystal Palace Turnstile
An original Victorian turnstile to The Crystal Palace (destroyed by fire), left to rust in the woods at Crystal Palace Park, London. Date: 1850s? Thank you to Oliver Marshall for pointing this out. 182 photos taken in September 2020 with a Sony a6000 and processed in Reality Capture. The turnstile while still standing in 2017. Photo by <a href="https://twitter.com/CrystalPalacePK">CrystalPalacePK</a>. Source: Objaverse 1.0 / Sketchfab
Crystal Palace Aquarium Ruins
Quick/rough scan of the ruins of the salt water aquarium that was below The Crystal Palace in Crystal Palace Park, London. Date: 1871 241 photos taken (over fence along one side) in February 2020 with a Sony a6000 and processed in Reality Capture. Source: Objaverse 1.0 / Sketchfab
Crystal Palace Bowl
The Crystal Palace Bowl is an outdoor music stage in Crystal Palace Park, London. The stage is designed to look like it is floating above the lake it is situated in. In recent years the stage has not been used and the its wooden surface is beginning to deteriorate. Access to the stage is via a retractable drawbridge at the rear. To the sides of the lake are large speaker towers and the canopy also contains dozens of speakers. There is a campaign to preserve and reopen the venue and it is often open during London Openhouse days: https://www.crystalpalacebowl.com/ Date: 1997 (latest stage, by Ian Ritchie Architects) https://en.wikipedia.org/wiki/Crystal_Palace_Bowl 1861 photos taken in September 2020 with a Sony a6000 and processed in Reality Capture (mesh) and Agisoft Metashape (texture). Roof area cleaned up as could not be photographed. Consequently the vent pipes there are not shown. Source: Objaverse 1.0 / Sketchfab
0.48 Angstrom 3,5-dinitrobenzoic acid (3,5-DNBA) C2/c polymorph single crystal X-ray diffraction data set recorded at Diamond Light Source I19-1
<p>Data set from 3,5-dinitrobenzoic acid (3,5-DNBA) C2/c polymorph recorded during in house research (DLS proposal: NR18193). Each run is saved as a single compressed tar file for convenience, runs 1, 2, 3 correspond to 3 x 170 degree omega scans at phi 0, 120, 240 degrees with 2-theta of 30 degrees, run 4 phi scan at 2-theta 0, runs 5-8 omega scans at 2-theta 55 degrees, giving data to 0.48A.</p> <p> </p> <p>Now including scale factor graph & report from processing</p>
Data for "Water Sorption Controls Extreme Single-Crystal-to-Single Crystal Molecular Reorganization in Hydrogen Bonded Organic Frameworks"
<p>Paper DOI: <a href="https://doi.org/10.1002/chem.202201929">10.1002/chem.202201929</a></p> <p>Previously uploaded in 10.5281/zenodo.8432296 and <a href="https://github.com/andrewtarzia/citable_data" rel="noopener noreferrer">https://github.com/andrewtarzia/citable_data</a></p> <p>Each .out file is generated from zeo_runs_production.py, which includes the output from Zeo++ for the probe radius and sampling value in the file name.</p> <p>zeo_runs.py tests sampling values to check for convergence, those output files are not included here.</p> <p>Each python script includes the list of CIFs to run the analysis on. Only the CIFs shown in the manuscript are included here, as testing was done on a series to see the effect of symmetry, disorder and cell size.</p>
Script files for the chapter: "Spring-mass crystals and mode confinement"
<p>Data and simulations files for the chapter "Spring-mass crystals and mode confinement" of the thesis "Optimizing hybrid optomechanical crystals and thermo-optomechanical effects"</p>
Multiscan 4D-STEM datasets on molecular crystals: biotin and Ni(dppf)Cl2
<p>This repository contains data from scanning nanobeam electron diffraction experiments acquired using the 4D Camera installed on the double-aberration-corrected TEAM 0.5 instrument at NCEM. </p> <p>Before data acquisition, the incident beam current was reduced to the detection threshold of the fluorescent screen ammeter (<40 pA) by using the monochromator focus as a continuously adjustable gun lens. Beam flux was estimated from previous reference measurements using a Faraday cup and an ammeter under similar conditions.</p> <p>A near-parallel probe was formed by using a custom 10 μm C2 aperture (Norcada) to access a range of narrow (<0.1 mrad) semiconvergence angles. Using a custom DigitalMicrograph script, multiscan 4D-STEM data were acquired with the 4D Camera operating at 87000 frames per second. As an illustrative example, each biotin dataset is comprised of 512×512 probe positions and 576×576 detector pixels, resulting in 174 GB of raw data per scan. These raw data were counted and reduced to a sparse, linear-index-encoded electron event representation (EER) in HDF5 format on the NERSC supercomputer, Perlmutter, using the open-source software package <a href="https://github.com/OpenChemistry/stempy">stempy</a>. These <a href="https://stempy.readthedocs.io/en/latest/StempyH5Format.html">sparse HDF5 files</a> can be interactively viewed using our open-source python-based software, <a href="https://github.com/ercius/DuSC_explorer/">DuSC Explorer</a>.</p> <p>Each directory contains a time series of several consecutive 4D-STEM scans acquired on the same molecular crystal (25 for biotin, 300 for Ni(dppf)Cl2), alongside a sequence of simultaneously acquired HAADF images.</p> <p>Experimental parameters for biotin:</p> <table> <tbody> <tr> <td>Accelerating voltage</td> <td>300 kV</td> </tr> <tr> <td>Semiconvergence angle</td> <td>0.07 mrad</td> </tr> <tr> <td>Scan dimensions</td> <td>512×512</td> </tr> <tr> <td>Real-space step size</td> <td>9.22 nm</td> </tr> <tr> <td>Estimated probe size (FWHM)</td> <td>14.4 nm</td> </tr> <tr> <td>Total illuminated area</td> <td>11.2 μm^2</td> </tr> <tr> <td>Estimated fluence per probe position</td> <td>0.15 e- Å^(-2)</td> </tr> <tr> <td>Total size of raw data</td> <td>4350 GB</td> </tr> <tr> <td>Total size of sparsified data</td> <td>2.18 GB</td> </tr> </tbody> </table> <p> </p> <p>Experimental parameters for Ni(dppf)Cl2:</p> <table> <tbody> <tr> <td>Accelerating voltage</td> <td>200 kV</td> </tr> <tr> <td>Semiconvergence angle</td> <td>0.07 mrad</td> </tr> <tr> <td>Scan dimensions</td> <td>256×256</td> </tr> <tr> <td>Real-space step size</td> <td>15.1 nm</td> </tr> <tr> <td>Estimated probe size (FWHM)</td> <td>18.4 nm</td> </tr> <tr> <td>Total illuminated area</td> <td>7.55 μm^2</td> </tr> <tr> <td>Estimated fluence per probe position</td> <td>1.5 e- Å^(-2)</td> </tr> <tr> <td>Total size of raw data</td> <td>13200 GB</td> </tr> <tr> <td>Total size of sparsified data</td> <td>9.93 GB</td> </tr> </tbody> </table> <p> </p>
Data for 'From Gel to Crystal: Mechanism of HfO2 and ZrO2 Nanocrystal Synthesis in Benzyl Alcohol'
<p>Data of the figures in the publication "<strong>From Gel to Crystal: Mechanism of HfO<sub>2</sub> and ZrO<sub>2</sub> Nanocrystal Synthesis in Benzyl Alcohol</strong>".</p> <p>The <em>.pxp</em> documents contain the experimental data of the figures in the manuscript and they can be opened/edited with the software IGOR Pro 6.3 or higher.</p> <p>Table of contents:</p> <p><strong>Figure 1.</strong> (A) Microwave-assisted solvothermal synthesis of HfO<sub>2</sub> nanocrystals starting from HfCl<sub>4</sub>·2THF in benzyl alcohol. (B) XRD spectrum (black) with a monoclinic reference spectrum (blue, Crystallographic Open Database ID 9013470). (C) Pictures of the upside down microwave tube, stopped at different time points in the reaction to indicate the disappearance of the gel over time. (D) TEM image of the synthesized NCs shows their ellipsoidal shape. The size distribution and a zoom of a single NC are shown in the top and bottom left corner, respectively. (E) The rapid increase in storage modulus <em>G</em>′ and loss modulus <em>G</em>″ over time (average of 3 measurements) indicates the point where the solution turns into a gel. (F) Storage modulus <em>G</em>′ and loss modulus <em>G</em>″ of the gel after repeatedly (three cycles) applying 10% (stress) and 1% (recovery) shear stress (γ) at 25 °C and (G) at 160 °C.</p> <p><strong>Figure 2.</strong> (A) Titration of HfCl<sub>4</sub>·2THF with benzyl alcohol in the presence of TOPO in C<sub>6</sub>D<sub>6</sub>, followed via <sup>31</sup>P NMR. The spectra have a relative <em>x</em>-offset of 1 ppm with respect to each other for clarity. (B) Coordination numbers of chloride and oxygen surrounding the hafnium center, calculated from the EXAFS data. (C) Hf–O distance contraction at increasing temperature. The octahedral of the HfCl<sub>3</sub>OBn·2THF structure is shown for clarity.</p> <p><strong>Figure 3. </strong>(A) <sup>1</sup>H NMR assignment of the resonances in the supernatant between 4.4 and 4.8 ppm. The full width at half-maximum (in Hz) of the benzyl alcohol peak is indicated and decreases with increasing temperature. (B) Equivalents of benzyl alcohol, dibenzyl ether, and benzyl chloride with respect to hafnium (taking into account other side products present) in the reaction supernatant at increasing temperature. The amount of water is calculated based on the amount of dibenzyl ether and benzyl chloride detected.</p> <p><strong>Figure 4. </strong>(A) <em>In situ</em> total scattering data showing <em>G</em>(<em>r</em>) as a function of time. Dashed lines indicate when temperature is increased. Selected PDFs from the intermediate and the final stage of the reaction are plotted. (B) PDF of the precursor structure with major peaks assigned and in comparison to simulated PDFs based on the possible precursor structures. Fit of the PDF data of (C) the intermediate gel, collected after 9 min of reaction at 150 °C, and (D) the final product to m-HfO<sub>2</sub>, collected after 81 min of total reaction time. (E) Refined crystallite size and scale factor as a function of time. (F) TEM image of a sample after 3 min at 220 °C. The size distribution (25 particles) and zoom of a single NC are shown in the top and bottom left corner, respectively.</p> <p><strong>Figure 5. </strong>Isolated particle yield of HfO<sub>2</sub> NC syntheses run for different reaction times. The yield can be significantly improved at only 1 h by adding water postsynthesis. Each reaction is performed in triplicate, and yield is determined gravimetrically.</p>
Tuneable entangled photon pair generation in a liquid crystal
<p>Data and code for the publication tittled Tuneable entangled photon pair generation in a liquid crystal</p>
CHiMP Detector Datasets: Images of Sitting Drop Protein Crystallisation Experiments with Associated Image Masks of Drops and Crystals
<p>The CHiMP Detector Datasets consist of images of protein crystallisation experiments along with corresponding zipped NumPy archive files (.npz). All images have had their histograms adjusted using the Contrast Limited Adaptive Histogram Equalization ((CLAHE) algorithm using the OpenCV library with grid size of 12 and are in JPEG format. The .npz files contain class labels and instance segmentation masks for both the experimental droplets and any crystals that an expert annotator has deemed to be interesting/mountable. To class labels and masks can be loaded in the following way:</p> <pre><code>import numpy as np # load in the mask and class label list from .npz file located at mask_path mask_file = np.load(mask_path) masks = list(mask_file["masks"].astype(int)) class_labels = list(mask_file["class_labels"])</code></pre> <p>There are two datasets within this archive:</p> <ol> <li><strong>The VMXi CHiMP Detector Dataset</strong>. This consists of 237 images of resolution 1688 × 1352 pixels with corresponding masks. These images were collected on a Rock Imager 1000 (Formulatrix, USA) automated microplate imager at the VMXi experimental facility at Diamond Light Source, UK. These images and masks were used to train the VMXi CHiMP (Crystal Hits in My Plate) Detector network that performs object detection and instance segmentation of crystals in experimental micrographs using a Mask-R-CNN architecture. The files "vmxi_detector_training.csv" and "vmxi_detector_validation.csv" provide the filenames of the members of the training and validation sets respectively.</li> <li><strong>The XChem CHiMP Detector Dataset.</strong> This consists of 350 images of resolution 1024 × 1224 pixels with corresponding masks. These images were collected on a Rock Imager 1000 (Formulatrix, USA) automated microplate imager at the Crystallisation Facility@Harwell, located in the Research Complex at Harwell (RCaH). In addition to the images in the VMXi CHiMP Detector, these images were used to train the XChem CHiMP (Crystal Hits in My Plate) Detector network that performs object detection and instance segmentation of masks and crystals in experimental micrographs using a Mask-R-CNN architecture. The files "xchem_detector_training.csv" and "xchem_detector_validation.csv" provide the filenames of the members of the training and validation sets respectively.</li> </ol>
Quantifying Salt Crystallization Impact on Evaporation Dynamics from Porous Surfaces
<p>The file contains cumulative evaporative mass losses during evaporation from sand columns saturated with 10%, 15%, and 20% NaCl solutions (mass basis).</p>
From nucleation to fat crystal network: effect of stearic-palmitic sucrose ester on static crystallization of palm oil
<p>Dataset belonging to publication 'From nucleation to fat crystal network: effect of stearic-palmitic sucrose ester on static crystallization of palm oil', <a href="https://doi.org/10.3390/foods13091372">https://doi.org/10.3390/foods13091372</a>.</p> <p> </p> <p>PLM = polarized light microscopy</p> <p>CryoSEM = cryo-scanning electron microscopy</p> <p>> data obtained after de-oiling fat samples with isobutanol (4x) and aceton (1x), see publication</p> <p>SAXS = small-angle X-ray scattering</p> <p>> data obtained after subtraction of intensity of empty capillary, see publication</p> <p>> for SE heating and cooling cycles, data is recorded from 70°C (1h) to 20°C (1h), and 4 repeated cycles </p> <p>WAXS = wide-angle X-ray scattering</p> <p>> data obtained after subtraction of intensity of empty capillary, see publication</p> <p>> for SE heating and cooling cycles, data is recorded from 70°C (1h) to 20°C (1h), and 4 repeated cycles </p> <p>USAXS = ultra-small-angle X-ray scattering</p> <p>> data obtained after subtraction of intensity of the capillary at 70°C, see publication</p> <p>DSC = differential scanning calorimetry</p> <p>> Samples are heated at 70°C for 10 min, and then crystallized following a certain protocol (see publication).</p> <p>> Samples are maintained one hour at their respective isothermal crystallization temperature.</p> <p>> Samples are rehaeted at 5°C/min to 70°C.</p> <p>SE = sucrose ester (SP30, HLB6)</p> <p>PO = palm oil</p> <p>POE = palm oil + 0.5 wt% SE</p> <p>FC = fast cooling (20°C/min)</p> <p>SC = slow cooling (1°C/min)</p>
Data for: Coarse-Grained Simulations of Columnar Ionic Liquid Crystals: Comparison with Experiments
<p>This repository contains the python scripts required for running coarse-grained simulations of columnar ionic liquid crystals, as detailed in the corresponding manuscript. The scripts have been tested with HOOMD-blue v.2.9.7 and python v.3.9.</p> <ul> <li>The script "equilibration_run_npt.py" performs the initial equilibration in the NPT ensemble using an isotropic barostat at atmospheric pressure.</li> <li>The script "production_run_nvt.py" performs the production run in the NVT ensemble.</li> </ul> <p>Both scripts take two input parameters from the command line, that is the name of the start configuration and the temperature T. For example, use the command "python3 production_run_nvt.py ILC8_303.0K_end_production.gsd 303" to load the file "ILC8_303.0K_end_production.gsd" and perform a production run at T=303K.</p> <p>In addition, we have included the final snapshots of our simulations in the .gsd format (https://gsd.readthedocs.io/). The file name indicates the specific ILC molecule and temperature, at which it was simulated. For example, the file "ILC8_303.0K_end_production.gsd" contains the final frame of the NVT simulations of the molecule ILC-8 at temperature T=303K.</p>
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