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252 results for “Atomic data”
Data for "Measurement of the atom-surface van der Waals interaction by transmission spectroscopy in a wedged nano-cell"
<p>The data presented in publication <a href="http://arxiv.org/abs/1905.02783">"Measurement of the atom-surface van der Waals interaction by transmission spectroscopy in a wedged nano-cell"</a> . Published version: <a href="https://doi.org/10.1103/PhysRevA.100.022503">https://doi.org/10.1103/PhysRevA.100.022503</a></p> <p>The data are in HDF5 format, with associated metadata.</p> <p>To see examples of how to use the data, and the theoretical model for analysis, see <a href="https://github.com/thermal-vapours/TAS-Transmission-Atom-Surface">https://github.com/thermal-vapours/TAS-Transmission-Atom-Surface </a></p>
Atomic force microscopy indentation data of zebrafish spinal cord sections
<p>The HDF5 file was created using the Python package nanite. It contains 1132 raw atomic force microscopy (AFM) force-indentation curves of zebrafish spinal cord sections, the preprocessed curves, and the corresponding fits to the approach part. In addition, a manual rating was assigned to each force-indentation curve. The intended use of this dataset is the application of machine-learning approaches to quantify AFM data quality for biological tissues.</p>
Ferromagnetic resonance of Co thin films grown by atomic layer deposition on the Sb2Te3 topological insulator (data)
<p>This dataset contains the raw data files connected with the figures included in the paper "<em>Ferromagnetic resonance of Co thin films grown by atomic layer deposition on the Sb<sub>2</sub>Te<sub>3</sub> topological insulator</em>" by E. Longo et al., JMMM 209, 166885 (2020): <a href="https://linkinghub.elsevier.com/retrieve/pii/S0304885319336029">https://linkinghub.elsevier.com/retrieve/pii/S0304885319336029</a></p>
Structure matters – Direct in-situ observation of cluster nucleation at atomic scale in a liquid phase (supplementary data)
<p>This a dataset of scanning transmission electron microscopy data showing Pt clusters nucleating in an ionic liquid. For each of the 4 movies there is the raw data (uncompressed .tif and compressed as .avi) and denoised versions (uncompressed .tif and compressed as .avi).</p> <p>This data is for the article "Structure matters – Direct in-situ observation of cluster nucleation at atomic scale in a liquid phase" published in ChemNanoMat (2020), by Trond R. Henninen, Debora Keller and Rolf Erni. (https://onlinelibrary.wiley.com/doi/full/10.1002/cnma.202000503)</p> <p><strong>Movie 1:</strong> Homogeneous nucleations of two clusters in a suspended thin film of ionic liquid. </p> <p><strong>Movie 2: </strong>Heterogeneous nucleation of a ca 8-9 atom cluster near the edge of a nanodroplet supported on a carbon film.</p> <p><strong>Movie 3: </strong>Heterogeneous nucleation of multiple clusters in a nanodroplet. Shortly after nucleation, they coalesce to form disordered nanoclusters.</p> <p><strong>Movie 4:</strong> Heterogeneous nucleation and dissolution cycles of spherical particles in a nanodroplet.</p>
Data for "Atomic structure of solute clusters in Al-Zn-Mg alloys"
<p>This dataset contains the data used in the publication entitled "<a href="https://www.sciencedirect.com/science/article/abs/pii/S1359645420310119"><strong>Atomic structure of solute clusters in Al-Zn-Mg alloys</strong></a>", published in Acta Materialia 17. December 2020.</p> <p>The data contained herein are:</p> <ul> <li>As-acquired transmission electron microscopy (TEM) images.</li> <li>Atom probe tomography data.</li> <li>All structural models used in density functional theory (DFT) calculations.</li> <li>Structures used for simulating scanning-TEM (STEM) images and nanobeam diffraction (NBD) patterns.</li> </ul> <p> </p> <p>The TEM images includes high angle annular dark field (HAADF) images and selected area diffraction patterns. These are given in .dm3/.dm4 files, and can be opened in e.g. the "<a href="https://www.gatan.com/products/tem-analysis/gatan-microscopy-suite-software">Gatan Microscopy Suite" </a>software. The images are also given as .tif images. The files are names after the "Figx_alloy_condition_xxx". "Figx" refers to the figure in the main article, "alloy" describes the alloy used and "condition" describes from what ageing condition. The uncorrected image series used for Fig. 6c (in the article) is included and requires the <a href="http://lewysjones.com/software/smart-align/">SmartAlign </a>plugin in the Gatan Microscopy Suite to analyse the dataset. SmartAlign allows for correcting rigid and non-rigid distortions in the STEM images in order to reduce effect of specimen drift and scan noise during acquisition. </p> <p>The ATP data is given as a .xlsx file. The data here is the processed data after applying the maximum separation algorithm. The data here is used to produce Figs. 2b and 2c in the paper. <br> <br> The structures used in the DFT calculations are given here as .cif files. These are separated into "Single_clusters" and "Stacked_clusters" and named according to Tabs. 1 and 2 in the Supplementary material of the paper.</p> <p>The two structures used for simulating STEM-HAADF and NBD patterns are given in the folder "TEM_simulations". "Mg32Zn124D_94x94" was used for NBD and "Mg32Zn124D_X_Zn4" was used for HAADF-STEM. The stack used for Supplementary Fig. 7c is labeled "Mg32Zn124D_94x94_slab_1Allayerop.cif".</p> <p> </p> <p> </p> <p> </p>
Storage enhanced nonlinearities in a cold atomic Rydberg ensemble: experimental data
<p>The data show number of input/output photons under different conditions when coherent pulses of light undergo electromagnetically induced transparency (EIT) in a cold cloud of Rubidium 87 atoms via a ladder system connecting the ground state of 87-Rubidium and different Rydberg levels via (see more details in Distante et al. Phys. Rev. Lett. <strong>117</strong>, 113001 (2016) or in the preprint https://arxiv.org/abs/1605.07478)</p> <p>This is the pre-analysed data from which the results in the paper are derived.</p> <p> </p> <ul> <li>The ODS file contains different sheets which correspond to Rydberg states with different principal quantum numbers</li> <li>The PDF contains useful information regarding the conditions of the experiment under which the data was obtained, such as the optical depth (OD) of the cloud, its dimensions, and the Rabi frequency of the coupling beam.</li> </ul>
Supporting data for "Fundamental limitations of cavity-assisted atom interferometry"
<p>Supporting data with code to generate Fig. 2 Cavity-induced deformation of a Gaussian input. Publication: DOI:https://doi.org/10.1103/PhysRevA.96.053820</p> <p>arXiv:1710.02448</p> <p>This dataset contains a zip file with raw data sets of all relevant measurements to plot figure 2.</p> <p>Figure 2. Envelope functions of the intracavity field for a 1 m cavity injected with<br> a 1μs pulse for different cavity finesses. All areas are normalized<br> to the input pulse area for comparison. When the pulse duration is<br> comparable to the photon lifetime of the cavity, its envelope function<br> is elongated. Inset: Envelopes without normalization.</p> <p> </p> <p>Further data and information are available from Miguel Dovale <mdovale@star.sr.bham.ac.uk> at reasonable request.</p> <p>School of Physics and Astronomy and Institute of Gravitational Wave Astronomy, University of Birmingham, Edgbaston, Birmingham B15 2TT, United Kingdom</p>
Data for "Constraints on the Observability of Energetic Neutral Atoms from the Magnetosphere-Atmosphere Interactions at Callisto and Europa" by Haynes et al.
<p>Accompanying data products for publication entitled "Constraints on the Observability of Energetic Neutral Atoms from the Magnetosphere-Atmosphere Interactions at Callisto and Europa". The manuscript was submitted to JGR Space Physics shortly after upload.</p> <p>Data includes all simulation outputs that are depicted in this work, both for the AIKEF hybrid model (i.e., Figure 4) and the model used to produce synthetic ENA images (Figures 3, 6, 8, 9, 11, A1, and B1). All other figures in the work are used for illustrative purposes and were not generated with simulation output. </p> <p>Information regarding the organization and file structure can be found in H24_data_readme.txt , as well as which dataset corresponds to which figure. Any inquiries, questions, or comments may be addressed through the email associated with this data publication.</p>
Data of publication: "Collective atom-cavity coupling and nonlinear dynamics with atoms with multilevel ground states"
<p>The uploaded files contain the raw data of the measurements and simulations presented in <a href="https://doi.org/10.1103/PhysRevA.107.023714">https://doi.org/10.1103/PhysRevA.107.023714</a></p>
Data and code for "Single-Atom Dopants in Plasmonic Nanocatalysts"
<p>The data includes atomic structures, photoabsorption spectra, densities of states, and hot-carrier distributions of the systems modeled in the article "Single-Atom Dopants in Plasmonic Nanocatalysts" by Daniel Sorvisto <em>et al</em>.</p> <p>The input scripts for reproducing the data are also included.</p> <p>See <em>README.md</em> in the archive for a detailed description.</p>
Atom probe tomography data collection from DIN 1.4970 (15-15Ti) austenitic stainless steel irradiated with Fe ions
<p>This dataset comprises a large collection of atom probe tomography datasets collected from DIN 1.4970 alloy that was irradiated with Fe ions at different conditions. The DIN 1.4970 alloy is an austenitic stainless steel with 15 wt% Cr, 15 wt% Ni, a small addition of Ti. The full composition and characterization of our material can be found published elsewhere [1,2].</p> <p>Some of our material was subjected to ageing heat treatments at different temperatures for different times. Small samples of our original material and aged material was irradiated at the Michigan Ion Beam Laboratory in 2017 with 4.5 MeV Fe ions up to 40 dpa at an average dose rate of <span class="math-tex">\(2 \times 10^{-4}\)</span> dpa/s. This was done at three different temperatures: 300, 450, and 600 ºC. Atom probe samples were made of the irradiated layers (approximately 1.5 micron deep) with focused ion beam and mounted on Microtip coupons. APT measurements took place on three CAMECA LEAP-HR systems located at CAES in Idaho Falls, USA (files beginning with R33), at Montanuniversität Leoben in Leoben, Austria (R21) and at Friedrich–Alexander University in Erlangen, Germany (R56).</p> <p>The contents of this archive are:</p> <ul> <li>A folder containing the raw RHIT files</li> <li>A folder containing all the reconstructions and miscelaneous analysis files made by the author</li> <li>An excel file which indicates which measurement number stands for what material</li> <li>A suggested range file</li> </ul> <p>The RHIT files can only be used if one has access to the full IVAS 3.x version in order to make new reconstructions.</p> <p>The reconstructions and analysis folder can be useful to anyone. The folder buildup structure is similar to a project folder created by IVAS and should be directly importable into IVAS. Most folders are simply named after the RHIT file they were constructed from, though some have slightly modified names to include date of creation, extra information,... Inside all these folders you will find the recons folder and inside multiple reconstructions. At the deepest level you will find .pos files which can be read into free software such as python or <a href="http://threedepict.sourceforge.net/">3depict</a>. The range file that will give decent results on all these measurements is given at the top level; slight modifications may need to be applied for each measurement. Inside all folders you will also find numerous files (csv, png, jpg, ...) that were created by analyzing the data in IVAS. Sometimes the file names are very descriptive, sometimes less so. Sometimes these files were not saved to the default analysis folder but elsewhere on my drive. To be complete, I have moved all of these files into the top level folder. Therefore, besides the imagoAnalysis and recons folders, you will sometimes find additional folders and files in the folder. By different merging procedures, there may be multiple copies of the same files present as well. Unfortunately, the reconstructions and analysis folder is rather chaotic, as is the nature of file creation by IVAS.</p> <p>It is most instructive to start with the excel file at the top level of the archive. The first sheet contains some information, mostly the same as mentioned here. The second sheet pertains to the ion irradiations that were performed. The table colunms are self explanatory. Each irradiated sample was given a particular alias (first column), which relates it to the slot in the storage box in which it is stored. 5 different materials appear in the irradiations:</p> <ul> <li>T24 = tube, 24% cold worked. This represents the material as it was received from the manufacturer.</li> <li>T24-800C2h = the as-received material with an ageing heat treatment of 2 hours for 800 ºC applied.</li> <li>T24-600C4h = the as-received material with an ageing heat treatment of 4 hours for 600 ºC applied.</li> <li>T24-600C2868h = the as-received material with an ageing heat treatment of 2868 hours for 600 ºC applied.</li> <li>T46 = tube 46% cold worked. This represents another material received from the manufacturer</li> <li>AIM1 = another related material with a higher P and Si content obtained from another research institute</li> </ul> <p>All these materials were irradiated under different conditions as given in the subsequent columns. The irradiation parameters were drawn directly from reports produced by the lab, but we suspect some typos slipped into the reports. We do know for certain that the samples were irradiated up to a surface dose of 40 dpa, at least according to a <a href="http://www.srim.org/">SRIM calculation</a> with the K-P model. Atom probe results only pertain to T24 and T24-800C2h. A few measurements were conducted on T24-600C4h material but this material was not irradiated.</p> <p>The last sheet gives an overview of all the APT measurements included in this archive. The first column pertains to the sample alias in sheet 2: the irradiated disc from which the samples were made. The sample detail column details the history of the sample for convenience: T24 - <heat treatment conditions> - <irradiation conditions>. When in doubt, one can look up the sample alias in sheet 2. The filename pertains to the APT measurement RHIT file. For the 3 measurements performed in Leoben, RHIT files are not included in this archive. Finally a few details such as approximate ion count and some comments are included for some measurements.</p> <p>Funding: This work was supported by ENGIE [contract number 2015-AC-007 e BSUEZ6900]; the U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office Contract DE-AC07- 051D14517 as part of a Nuclear Science User Facilities experiment; and by the MYRRHA program in development at SCK-CEN, Belgium. Funding of the Austrian BMVIT (846933) in the framework of the program "Production of the future" and the "BMVIT Professorship for Industry" is gratefully acknowledged.</p> <p> </p> <p><a href="https://www.sciencedirect.com/science/article/pii/S0022311518300485">[1] N. Cautaerts, R. Delville, E. Stergar, D. Schryvers, M. Verwerft, Tailoring the Ti-C Nanoprecipitate Population and Microstructure of Titanium Stabilized Austenitic Steels, J. Nucl. Mater. 507 (2018) 177–187. doi:10.1016/j.jnucmat.2018.04.041.</a></p> <p> </p> <p><a href="https://www.sciencedirect.com/science/article/pii/S1359645418308103">[2] N. Cautaerts, R. Delville, E. Stergar, D. Schryvers, M. Verwerft, Characterization of (Ti,Mo,Cr)C Nanoprecipitates in an Austenitic Stainless Steel on the Atomic Scale, Acta Mater. 164 (2018) 90–98. doi:10.1016/J.ACTAMAT.2018.10.018.</a></p> <p> </p> <p> </p> <p> </p> <p> </p> <p> </p>
Data of "Deterministic creation of entangled atom–light Schrödinger-cat states"
<p>Data published in "<em>Deterministic creation of entangled atom–light Schrödinger-cat states</em>"</p> <p>Nature Photonics <strong>volume 13</strong>, pages110–115(2019)</p>
Raw Data to "Density functional theory study of CO formation through reactions of polycyclic aromatic hydrocarbons with atomic oxygen (O(3P))"
<p>This data is a supplement to the publication <a href="https://doi.org/10.1016/j.fuel.2018.12.047">https://doi.org/10.1016/j.fuel.2018.12.047</a>. The data includes Turbomole input and output files. The calculations are performed using DFT/TPSSh-D3/TZVP method and Turbomole version 7.2. The equilibrium structures for the reactions of polyaromatics are named as following:<br> C<sub>X</sub>H<sub>Y</sub> (<strong>S1</strong>) + O -> C<sub>X</sub>H<sub>Y</sub>O (<strong>S2</strong>) -> C<sub>X</sub>H<sub>Y-1</sub>O (<strong>S3</strong>) + H (i) O addition and H abstraction<br> C<sub>X</sub>H<sub>Y-1</sub>O (<strong>S3</strong>) [-> <strong>S4</strong> -> <strong>S5</strong> ] -> CX-1HY-1 (<strong>S6</strong>) + CO (ii) Single, two, or three step CO elimination</p> <p>The transition state structures are named according to the naming of the corresponding reactant and product. For example, the transition state connecting the structure S3 to S5 is named as T35. Under some of the transition state directories, intrinsic reaction coordinate calculation output can be found under the directories named as "IRC".<br> <br> </p> <p><br> The LibreOffice Calc spreadsheet "SUPPINFO.ods" includes the activation and reaction energies to the reaction steps.</p>
Modeling sympathetic cooling of molecules by ultracold atoms: supporting data
<p>Data used in preparation of the paper "Modeling sympathetic cooling of molecules by ultracold atoms", authored by Jongseok Lim, Matthew D. Frye, Jeremy M. Hutson and M. R. Tarbutt.</p> <p>There are four different types of data:</p> <p>(1) Tables of total cross sections versus collision energy for collisions of CaF with Li and Rb for various values of s-wave scattering length (see figure 1)</p> <p>(2) Tables of differential cross sections versus energy for collisions of CaF with Li and Rb for various values of s-wave scattering length. The differential cross sections are given as cumulative distribution functions.</p> <p>(3) Simulated kinetic energy distributions at 1s intervals for sympathetic cooling of CaF with Li and Rb for various values of s-wave scattering length (see figures 5 and 6).</p> <p>(4) Simulated kinetic energy distributions at 1s intervals for sympathetic cooling of CaF with Rb with various evaporative cooling ramps applied to the Rb (see figure 13).</p>
Data accompanying publication: "General Chemically Intuitive Atom-Level DFT Descriptors for Machine Learning Approaches to Reaction Condition Prediction"
<p>Embeddings and raw files to complement the paper "General Chemically Intuitive Atom-Level DFT Descriptors for Machine Learning Approaches to Reaction Condition Prediction". The embeddings should be all the data needed for full reproducibility of the results published. The GitHub repo GeneralDFT (https://github.com/moleculebits/GeneralDFT) contains the python scripts required to make use of the data, along with some basic plotting functionalities.</p>
Raw data of "Proximity-Induced Superconductivity in Atomically Precise Nanographene on Ag/Nb(110)"
<p>E.M., R.P., and W.W. designed the experiments. P.Z., S.-X.L., R.H., and SD synthesized the molecule. J.-C.L. performed STM/AFM experiments and analyzed the data. W.W. provided the dilution STM and H.C. assisted the measurement. X.W. and U.A. performed the DFT calculations. J.-C.L. wrote the manuscript with the help of R.P. All authors discussed the results and revised the manuscript.</p>
Data for "Influence of variation in grain boundary parameters on the evolution of atomic structure and properties of [111] tilt grain boundaries in aluminum"
<p>This repository contains the raw data of experimental STEM images and of the simulations for the paper "Influence of variation in grain boundary parameters on the evolution of atomic structure and properties of [111] tilt boundaries in aluminum".</p>
Figure data for article "Controlling the dynamics of atomic correlations via the coupling to a dissipative cavity"
<p>The files contain the data depicted in the figures of the article "Controlling the dynamics of atomic correlations via the coupling to a dissipative cavity", Phys. Rev. Lett. <strong>134</strong>, 073604 (2025)</p> <p>The format of the data and to which figure it corresponds is described in the file "read_me_metadata.txt".</p>
Data Grids for examples in Probe Particle Atomic Force Microscopy simulation program (ppafm)
<p>These files are used for running the examples for [ppafm](https://github.com/Probe-Particle/ppafm/) program.</p> <p>The grids are stored in in [.xsf](http://www.xcrysden.org/doc/XSF.html) and [.cube](https://paulbourke.net/dataformats/cube/) format.</p> <p>The data set compiles both the new examples used in paper [Advancing scanning probe microscopy simulations: A decade of development in probe-particle models](https://www.sciencedirect.com/science/article/pii/S0010465524002649) as well as older examples.</p> <p>Notice that the structure does not exactly reflect the directory structure in the [example folder of ppafm](https://github.com/Probe-Particle/ppafm/tree/main/examples) to prevent possible redudancy, but is instead flatenized and sorted by molecules.</p>
Data for the research article: "Simulations of Energetic Neutral Atom sputtering from Ganymede in preparation for the JUICE mission"
<p>Data for the research article: "Simulations of Energetic Neutral Atom sputtering from Ganymede in preparation for the JUICE mission"</p>
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