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43 results for “Tungsten”
Time-resolved core-level photoemission data of tungsten diselenide
<p>Pump-probe core-level photoemission spectroscopy data of tungsten diselenide (WSe2) measured using an electron momentum microscope at the FLASH Free-electron laser. </p>
Atomistic Structures discussed in "Segregation-enhanced grain boundary embrittlement of recrystallised tungsten evidenced by site-specific microcantilever fracture"
<p>The tar file Sigma7_GB.tar contains all data to reproduce the results shown and discussed in the Publication "Segregation-enhanced grain boundary embrittlement of recrystallised tungsten evidenced by site-specific microcantilever fracture", DOI: <a href="https://doi.org/10.1016/j.actamat.2023.119256">10.1016/j.actamat.2023.119256</a></p><p>It contains three folders for the grain boundary creation, decoration with P atoms, and fracture simulations.<br>The naming conventions and additional information are provided in README.txt files in the directories.</p>
An estimate for thermal diffusivity in highly irradiated tungsten using Molecular Dynamics simulation
<p>The changing thermal conductivity of an irradiated material is among the principal design considerations for any nuclear reactor, but at present few models are capable of predicting these changes starting from an arbitrary atomistic model. Here we present a simple model for computing the thermal diffusivity of tungsten, based on the conductivity of the perfect crystal and resistivity per Frenkel pair, and dividing a simulation into perfect and athermal regions statistically. This is applied to highly irradiated microstructures simulated with Molecular Dynamics. A comparison to experiment shows that simulations closely track observed thermal diffusivity over a range of doses from the dilute limit of a few Frenkel pairs to the high dose saturation limit at 3 displacements per atom (dpa).<br> </p>
Dataset to "Hydrogen in tungsten trioxide by membrane photoemission and density functional theory modeling"
<p>Dataset to "Hydrogen in tungsten trioxide by membrane photoemission and density functional theory modeling" as published in Physical Review B, 103 (2021), 205304</p>
IR data of the compounds published in "Synthesis and Reactivity of Molybdenum and Tungsten Alkyne Complexes Containing 6-Methylpyridine-2-thiolate Ligands"
<p>Here, the uploaded data are associated with the manuscript "Synthesis and Reactivity of Molybdenum and Tungsten Alkyne Complexes Containing 6-Methylpyridine-2-thiolate Ligands," published in Helvetica Chimica Acta under the following DOI: https://doi.org/10.1002/hlca.202100137<br>The .dpt files represent IR spectra of the compounds published in the manuscript. The labeling used consists of two parts, e.g., 1b – ME162, where 1b represents the label of the compound as presented in the manuscript, and ME162 represents the crystallographic label found in the supplementary information (SI).</p>
Spectroscopic data for the compounds and reactions published in "Nucleophiles Target the Tungsten Center Over Acetylene in Biomimetic Models"
<p>Here, the uploaded data are associated with the manuscript "Nucleophiles Target the Tungsten Center Over Acetylene in Biomimetic Models" published in Inorg. Chem. under the following https://doi.org/10.1021/acs.inorgchem.4c00286<br>The .dpt files represent IR spectra of the compounds published in the manuscript. Gas IR spectrum is reported as .scv file. The .scv files represent NMR spectra of the compounds and reactions published in the manuscript. Line Shape Analysis calculation is presented in the excel file.<br>The labeling of the compounds and reactions follows the one in the published manuscript.</p>
Spectroscopic data of the compounds published in "The Effect of Selenium-Based Ligands on Tungsten Acetylene Complexes"
<p>Here, the uploaded data are associated with the manuscript "The Effect of Selenium-Based Ligands on Tungsten Acetylene Complexes" published in Inorg. Chem. under the following doi/10.1021/acs.inorgchem.4c01636<br>The .dpt files represent IR spectra of the compounds published in the manuscript. The .scv files represent NMR spectra of the compounds and reactions published in the manuscript.<br>The labeling of the compounds and reactions follows the one in the published manuscript.</p>
X-ray tomography (CT) image data of tungsten fusion energy heat exchange components
<p>X-ray tomography (CT) image data of tungsten fusion energy heat exchange components.</p> <p>The dataset includes images of four samples:</p> <ul> <li>CCFE_MB_ROI (Culham Centre for Fusion Energy thermal break concept monoblock, region of interest sample)</li> <li>IPP_Wf-Cu (Max-Planck-Institut für Plasmaphysik tungsten fibre / copper matrix coolant pipe)</li> <li>ITER_HHFT_ROI (ITER reference monoblock which has undergone high heat flux testing, region of interest sample)</li> <li>ITER_MB_ROI (ITER reference monoblock, region of interest sample)</li> </ul> <p>This data was used originally for the following publication (please cite if re-using the data) where further details on the data may be obtained:</p> <p>Ll.M. Evans, L. Margetts, P.D. Lee, C.A.M. Butler, E. Surrey, “Image based in silico characterisation of the effective thermal properties of a graphite foam”, Carbon, Vol. 143, pp. 542-558, 2018. <a href="https://doi.org/10.1016/j.carbon.2018.10.031">https://doi.org/10.1016/j.carbon.2018.10.031</a></p> <p>Each of the sample directories include reconstructed slices in Tiff format. To visualise the 3D volume use software such as ImageJ (https://imagej.net/Fiji/Downloads). CCFE_MB_ROI also includes raw radiographs; scan & reconstruction parameter settings file.</p> <p>A Neutron CT version of this data is available for comparison: <a href="https://doi.org/10.5281/zenodo.3533418">https://doi.org/10.5281/zenodo.3533418</a></p> <p>Image-based simulation (IBSim) meshes were generated directly from these datasets: <a href="https://doi.org/10.5281/zenodo.3533422">https://doi.org/10.5281/zenodo.3533422</a></p>
Neutron tomography (CT) image data of tungsten fusion energy heat exchange components
<p>Neutron tomography (CT) image data of tungsten fusion energy heat exchange components.</p> <p>The dataset includes three sets of images:</p> <ul> <li>ITER_171T-WA-0002_MB (ITER reference monoblock)</li> <li>CCFE_ThBr_MB (Culham Centre for Fusion Energy thermal break concept monoblock)</li> <li>ROIsamples_Stack (A stack of four region of interest samples*)</li> </ul> <p>The region of interest samples within the stack are as below:</p> <ul> <li>CCFE_ThBr_ROI (Culham Centre for Fusion Energy thermal break concept monoblock)</li> <li>IPP_Wf-Cu_p5_s1 (Max-Planck-Institut für Plasmaphysik tungsten fibre / copper matrix coolant pipe)</li> <li>ITER_HHFT_ROI (ITER reference monoblock which has undergone high heat flux testing)</li> <li>ITER_17IT-WA-0002_ROI (ITER reference monoblock)</li> </ul> <p>This data was used originally for the following publication (please cite if re-using the data) where further details on the data may be obtained:</p> <p>Ll.M. Evans, L. Margetts, P.D. Lee, C.A.M. Butler, E. Surrey, “Image based in silico characterisation of the effective thermal properties of a graphite foam”, Carbon, Vol. 143, pp. 542-558, 2018. <a href="https://doi.org/10.1016/j.carbon.2018.10.031">https://doi.org/10.1016/j.carbon.2018.10.031</a></p> <p>Each of the sample directories include reconstructed slices in Tiff format. To visualise the 3D volume use software such as ImageJ (https://imagej.net/Fiji/Downloads).</p> <p>CCFE_ThBr_ROI and ROIsamples_Stack include raw radiographs; dark and flat field images; scan & reconstruction parameter settings file.</p> <p>ITER_171T-WA-0002_MB includes data relating to the modulation transfer function (MTF) measurement.</p> <p>An X-Ray CT version of the ROI data is available for comparison: <a href="https://doi.org/10.5281/zenodo.3533420">https://doi.org/10.5281/zenodo.3533420</a></p> <p>Image-based simulation (IBSim) meshes were generated directly from these datasets: <a href="https://doi.org/10.5281/zenodo.3533422">https://doi.org/10.5281/zenodo.3533422</a></p>
Strong enhancement of electromagnetic shower development induced by high-energy photons in a thick oriented tungsten crystal
<p>We have observed a significant enhancement in the energy deposition by 25-100 GeV photons in a 1 cm thick tungsten crystal oriented along its <111> lattice axes (data of Fig. 2). At 100 GeV, this enhancement, with respect to the value observed without axial alignment, is more than twofold. This effect, together with the measured huge increase in secondary particle generation (data of Fig. 3) is ascribed to the acceleration of the electromagnetic shower development by the strong axial electric field. The experimental results have been critically compared with a newly developed Monte Carlo adapted for use with crystals of multi-X_0 thickness (data of Fig.2, 3 and 4). These results may prove to be of significant interest for the development of high-performance photon absorbers and highly compact electromagnetic calorimeters and beam dumps for use at the energy and intensity frontiers.</p>
Elastic Strain Associated with Irradiation-Induced Defects in Self-ion Irradiated Tungsten
<p>Elastic interactions play an important role in controlling irradiation damage evolution, but remain largely unexplored experimentally. Using transmission electron microscopy (TEM) and high-resolution on-axis transmission Kikuchi diffraction (HR-TKD), we correlate the evolution of irradiation-induced damage structures and the associated lattice strains in self-ion irradiated pure tungsten. TEM reveals different dislocation loop structures as a function of sample thickness, suggesting that free surfaces limit the formation of extended defect structures that are found in thicker samples. HR-TKD strain analysis shows the formation of crystallographically-orientated long-range strain fluctuation above 0.01 dpa and a decrease of total elastic energy above 0.1 dpa.</p>
Tungsten Trioxide adsorbed on hexagonal boron nitride in acidic electrolyte
<p>Dynamic behaviour of ((WO)<sub>3</sub>)<sub>3 </sub>clusters on hexagonal boron nitride (h-BN) after almost complete fill-up of pores. Electrochemical Scanning Tunneling microscopy images taken with tungsten tips in 0.1M H<sub>2</sub>SO<sub>4. </sub></p>
Tungsten Trioxide Adsorption on hexagonal boron nitride in acidic electrolyte
<p>Progressive adsorption of ((WO)<sub>3</sub>)<sub>3</sub> clusters in initially vacant pores of hexagonal boron nitride 2D-crystal. Electrochemical Scanning Tunneling microscopy images taken with tungsten tips in 0.1M H<sub>2</sub>SO<sub>4. </sub>Seen in time-lapse images. Recording of these images commences as soon as tunnelling is established, strong effects of noise are still present. Time stamp in seconds.</p>
Participation of electrochemically inserted protons in the hydrogen evolution reaction on tungsten oxides
<p>Understanding the mechanisms by which electrodes undergo the hydrogen evolution reaction (HER) is<br>necessary to design better materials for aqueous energy storage and conversion. Here, we investigate<br>the HER mechanism on tungsten oxide electrodes, which are stable in acidic electrolytes and can<br>undergo proton-insertion coupled electron transfer concomitant with the HER. Electrochemical<br>characterization showed that anhydrous and hydrated tungsten oxides undergo changes in HER activity<br>coincident with changes in proton composition, with activity in the order HxWO3*H2O>HxWO3 ><br>HxWO3*2H2O. We used operando X-ray diffraction and density functional theory to understand the<br>structural and electronic changes in the materials at high states of proton insertion, when the oxides are<br>most active towards the HER. H0.69WO3*H2O and H0.65WO3 have similar proton composition, structural<br>symmetry, and electronic properties at the onset of the HER, yet exhibit different activity. We<br>hypothesize that the electrochemically inserted protons can diffuse in hydrogen bronzes and participate<br>in the HER. This would render the oxide volume, and not just the surface, as a proton and electron<br>reservoir at high overpotentials. HER activity is highest in HxWO3*H2O, which optimizes both the degree<br>of proton insertion and solid-state proton transport kinetics. Our results highlight the interplay between<br>the HER and proton insertion-coupled electron transfer on transition metal oxides, many of which are<br>non-blocking electrodes towards protons.</p>
Preparation of polycrystalline tungsten nanofibers by needleless electrospinning_experimental dataset
<p>These datasets contain the raw unprocessed data to the Kundrát et al., Preparation of polycrystalline tungsten nanofibers by needleless electrospinning, <a href="https://www.sciencedirect.com/journal/journal-of-alloys-and-compounds">Journal of Alloys and Compounds</a>, <a href="https://www.sciencedirect.com/journal/journal-of-alloys-and-compounds/vol/900/suppl/C">Volume 900</a>, 15 April 2022, 163542. </p>
Specific heat of tungsten from 23 °C to 3266 °C
<p>This dataset contains specific heat values determined from 23 °C to 3266 °C by five laboratories on a batch of specimens machined in the same block of tungsten.</p>
A Tungsten Deep Neural-Network Potential for Simulating Mechanical Property Degradation Under Fusion Service Environment
<p>The DP-HYB and DP-SE2potential and the W training database.</p>
Thermal conductivity of pure tungsten at various temperatures
<p><strong>Thermal conductivity of pure tungsten at various temperatures</strong></p> <p>Junjie Chen</p> <p>Contributor: Junjie Chen, ORCID: 0000-0001-5055-4309, E-mail address: komcjj@gmail.com, Department of Energy and Power Engineering, School of Mechanical and Power Engineering, Henan Polytechnic University, 2000 Century Avenue, Jiaozuo, Henan, 454000, P.R. China</p> <p> </p> <p>Tungsten, or wolfram, is a chemical element with the atomic number 74. Tungsten is a rare metal found naturally on Earth almost exclusively as compounds with other elements. It was identified as a new element in 1781 and first isolated as a metal in 1783. Its important ores include scheelite and wolframite, the latter lending the element its alternate name. The free element is remarkable for its robustness, especially the fact that it has the highest melting point of all known elements barring carbon. It also has the highest boiling point. Its density is 19.30 grams per cubic centimetre, comparable with that of uranium and gold, and much higher than that of lead. Polycrystalline tungsten is an intrinsically brittle and hard material, making it difficult to work. However, pure single-crystalline tungsten is more ductile and can be cut with a hard-steel hacksaw. Tungsten occurs in many alloys, which have numerous applications, including incandescent light bulb filaments, X-ray tubes, electrodes in gas tungsten arc welding, superalloys, and radiation shielding. Tungsten's hardness and high density make it suitable for military applications in penetrating projectiles. Tungsten compounds are often used as industrial catalysts. In its raw form, tungsten is a hard steel-grey metal that is often brittle and hard to work. Purified, monocrystalline tungsten retains its hardness, and becomes malleable enough that it can be worked easily. It is worked by forging, drawing, or extruding but it is more commonly formed by sintering. Of all metals in pure form, tungsten has the highest melting point, lowest vapor pressure, and the highest tensile strength.</p> <p> </p> <p>Thermodynamic temperature (degrees kelvin), Thermal conductivity (watts per meter-kelvin)</p> <p>10 9710</p> <p>100 208</p> <p>293 173</p> <p>1000 118</p> <p>2000 98</p>
IR data of the compounds published in "Bioinspired Nucleophilic Attack on a Tungsten-Bound Acetylene: Formation of Cationic Carbyne and Alkenyl Complexes"
Open the record for dataset details and reuse information.
Supplementary Material for: "Kink-Helium Interactions in Tungsten: Opposing Effects of Assisted Nucleation and Hindered Migration"
<p>This uploaded contains the supporting material and files for the pre-print titled: ”Kink-Helium Interactions in Tungsten: Opposing Effects of Assisted Nucleation and Hindered Migration”.</p> <p> </p> <p>MN is supported by a studentship funded by the UK Engineering and Physical Sciences Research Council–supported Centre for Doctoral Training in Modelling of Heterogeneous Systems, Grant No. EP/S022848/1 and the Atomic Weapons Establishment. JRK acknowledges funding from the Leverhulme Trust under grant RPG-2017-191. APB acknowledges support from the CASTEP-USER project, funded by the Engineering and Physical Sciences Research Council under the grant agreement EP/W030438/1. JRK and APB acknowledge funding from the NOMAD Centre of Excellence funded by the European Commission under grant agreement 951786. We acknowledge the University of Warwick Scientific Computing Research Technology Platform for assisting the research described within this study. Some of the calculations were performed using the Sulis Tier 2 HPC platform hosted by the Scientific Computing Research Technology Platform at the University of Warwick. Sulis is funded by EPSRC Grant EP/T022108/1 and the HPC Midlands+ consortium. We are grateful for computational support from the UK national high performance computing service, ARCHER2, for which access was obtained via the UKCP consortium and funded by EPSRC Grant No. EP/X035891/1.</p>
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