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501 results for “Charging”
Dataset of the publication : "Misfit layer compounds as ultra-tunable field effect transistors: from charge transfer control to emergent superconductivity"
<p>Dataset of the publication : "Misfit layer compounds as ultra-tunable field effect transistors: from charge transfer control to emergent superconductivity"</p>
Fractional magnetic charges and channeling of Faraday lines by disclinations in artificial spin ice
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Simultaneous modulation of pulse charge and burst period elicits two differentiable referred sensations
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Performance analysis & optimization of inverted inorganic CsGeI3 perovskite cells with carbon/copper charge transport materials using SCAPS‑1D
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ECMWF data for analysing smoked-charged vortices after the 2019-2020 Australian wildfires
<p>The dataset contains GRIB2 files produced from the operational IFS model and assimilation system of the European Centre for Medium Range Weather Forecast (ECMWF).</p> <p>OPZLWDA2020mmdd-SH.grd files contain log of surface pressure, zonal wind, meridional wind, temperature, relative vorticity and ozone mixing ratio for the 137 levels of the model on a 1°x1° grid in the southern hemisphere for the long window analysis at 6UTC and 18UTC every day from 1st January 2020 to 31 March 2020.</p> <p>OPZFCST2020mmdd-SH.grd files contain log of surface pressure, temperature, relative vorticity and ozone mixing ratio for the 137 levels of the model on a 1°x1° grid in the southern hemisphere every day for the 10-day forecast run starting at 00UTC every four days from 7 January 2020 to 31 March 2020.</p> <p>For basic access, these files are readable using python tools. The package pygrib available under conda-forge is recommended. The eccode library that allows read from C or Fortran is freely available from ECMWF and is installed along pygrib. Reading with eccode library is also possible in C and Fortran.</p> <p>A simple reader using pygrib is provided. </p> <p>Dedicated packages for the project are available on github/bernard-legras/STC/STC-Australia with dependencies in github/bernard-legras/STC/STC/pylib. The package that reads and process ECMWF data is github/bernard-legras/STC/STC/pylib/ECMWF_N.py. This package needs setup modification to discover the files where they have been copied.</p> <p>All requirements should be made to bernard.legras@lmd.ipsl.fr</p>
Data for the article "Ultrafast spin-currents and charge conversion at 3d-5d interfaces probed by time-domain terahertz spectroscopy"
<p>Data for the article "Ultrafast spin-currents and charge conversion at 3d-5d interfaces probed by time-domain terahertz spectroscopy" (<a href="https://aip.scitation.org/doi/10.1063/5.0022369">Ultrafast spin-currents and charge conversion at 3d-5d interfaces probed by time-domain terahertz spectroscopy: Applied Physics Reviews: Vol 7, No 4 (scitation.org)</a> and <a href="https://arxiv.org/abs/2012.06900">[2012.06900] Ultrafast spin-currents and charge conversion at 3d-5d interfaces probed by time-domain terahertz spectroscopy (arxiv.org)</a> )</p>
Thunderstorm_Lower_Positive_Charge_Data
<p>Data and instructions on how to produce the figures in an article</p> <p>titled "Thunderstorm lower positive charge and triggered negative lightning-leaders"</p> <p>to be submitted to the Journal of Geophysical Research, Atmospheres.</p> <p>Triggered negative leaders propagated into thunderstorm lower positive charge. Current</p> <p>measured at the ground where the triggering wire was attached and an estimate of</p> <p>the volume occupied by the branched leaders give an average charge density in the lower</p> <p>positive region. </p>
Data for "A General Charge Transport Picture for Organic Semiconductors with Nonlocal Electron-Phonon Couplings"
<p>Data for "A General Charge Transport Picture for Organic Semiconductors with Nonlocal Electron-Phonon Couplings"</p>
Flash propagation and inferred charge structure relative to radar-observed ice alignment signatures in a small Florida Mesoscale Convective System
<p>Data for paper of above title, submitted to <em>Geophysical Research Letters</em>, June 2017. Manuscript number: 2017GL072767</p>
Electric potential and charge density for null emission
<p>Fig6(c-d) plots electric potential and charge density for null emission. Parameters: $m=5, \tau_{\rm p}=4, v_0=0, \phi_g=1$. </p>
Data for "Spacecraft charging simulations of probe B1 of Comet Interceptor during the cometary flyby"
<p>Simulation results of the spacecraft-plasma interactions of probe B1 of Comet Interceptor obtained with the Spacecraft Plasma Interaction Software (SPIS) and the ElectroMagnetic Spacecraft Environment Simulator (EMSES). Detailed descriptions of the simulations and the results are given in the paper "Spacecraft charging simulations of probe B1 of Comet Interceptor during the cometary flyby" by Bergman et al.</p><p>Contact email: sofiabergmanphd@gmail.com</p>
A Dataset for EV movement and charging based on metropolitan Melbourne
<p> This document presents a dataset based on which electric vehicle (EV) movement and charging may be simulated. Data is collected from various sources describing the metropolitan Melbourne area and comprises: A list of EVs, suburb locations and dwelling statistics, residential consumption patterns considering deviations based on suburb and household size, statistics regarding work behaviour including commute patterns, pricing for various electricity products as well as statistical data to derive rooftop photo voltaic (PV) generation. Furthermore, methodologies are provided to create rudimentary probability distributions describing forecasts for residential electricity consumption and rooftop PV generation based on historic data. Lastly, a methodology for basic shift scheduling is presented, allowing to create basic travel patterns for EVs commuting between their residences and places of employment.</p>
Data for "Predicting the charge density response in metal electrodes"
<p>Dataset associated with the manuscript "Predicting the charge density response in metal electrodes", as published in https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.7.125403.</p>
Adsorption of Neutral and Charged S-Bearing Species onto Olivine Nanoclusters
<p>The Supporting Material contains the cartesian coordinates of optimized minima and transition state for the reaction studied in the paper, in .xyz format, computed using <a href="https://gaussian.com/">O</a><a href="https://orcaforum.kofo.mpg.de/">RCA</a> code. The folders are relative to:</p> <ul> <li>structures of the first benchmark, optimized at 𝜔B97M-V/def2-TZVP level of theory;</li> <li>structures of the second benchmark, optimized at B3LYP-D3(BJ), 𝜔B97M-V and r2SCAN-3c levels of theory, plus NEB structures at 𝜔B97M-V level;</li> <li>adsorption of H2O, H2S, CO and CS on forsterite, cluster A and cluster B at 𝜔B97M-V/def2-TZVP level of theory:</li> <li>adsorption of the 9 S-bearing species on cluster C at 𝜔B97M-V/def2-TZVP level of theory.</li> </ul>
Data for: Fractional Topological Charges in 2D Magnets
<p>We provide the data files and, where relevant, simulation files (written in go) for each of the four figures in the main text.</p> <p>To run the .go files, place them in the same directory with the .smp files and execute sbatch "simulation_file_name.smp". Note that "drivenDefect.smp" will only run if the initial magnetisation data file "m_200x1000y_centred_Delta_1.25_NegB0_arrIndB0_2.ovf" is placed in a subdirectory "initialDefectCentred" of the same directory. </p> <p>We use three different ways of presenting the data for magnetisation, topological charge density and the velocity data for Fig. 4c. Magnetisation data follow the format "{{x,y,z},{Mx,My,Mz}}", while topological charge density data follow "..{x,y,\rho_{top}}..". Note that the y index runs over the outer lists, while the x index runs over the inner lists, so to retrieve e.g. the 5th column and 3rd row of a data file, use dataFile[[5,3]], after importing the data file into "dataFile". For the velocity data, we use "{w,vx,vy}.." (note that only the vy data was used in Fig.1c).</p>
Data for: Automotive braking is a source of highly charged aerosol particles
<p>Although the last several decades have seen a dramatic reduction in emissions from vehicular exhaust, non-exhaust emissions (e.g., brake and tire wear) represent an increasingly significant class of traffic-related particulate pollution. Aerosol particles emitted from the wear of automotive brake pads contribute roughly half of the particle mass attributed to non-exhaust sources, while their relative contribution to urban air pollution overall will almost certainly grow, coinciding with vehicle fleet electrification and the transition to alternative fuels. To better understand the implications of this growing prominence, a more thorough understanding of the physicochemical properties of brake wear particles (BWPs) is needed. Here we investigate the electrical properties of BWPs as emitted from ceramic and semi-metallic brake pads. We show that up to 80% of BWPs emitted are electrically charged, and demonstrate a dependence of charge state on particle size and charge polarity. We find that brake wear produces both positive and negative charged particles that can hold in excess of 30 elementary charges, and show evidence that more negative charges are produced than positive. Our results will provide insights into the currently limited understanding of how BWPs behave in the atmosphere, including future investigations into their atmospheric lifetimes and potential climatic relevance. In addition, our study will inform future efforts to remove BWP emissions before entering the atmosphere by taking advantage of their electric charge.</p>
Diffusely charged polymeric zwitterions as loosely hydrated marine antifouling coatings
<p>This dataset accompanies the article "Diffusely Charged Polymeric Zwitterions as Loosely Hydrated Marine Antifouling Coatings" by Shawn D. Mengel, Wen Guo, Guangyao Wu, John A. Finlay, Peter Allen, Anthony S. Clare, Riddhiman Medhi, Zhan Chen, Christopher K. Ober, and Rachel A. Segalman in Langmuir in 2023 (LINK). The article demonstrates that more diffusely charged polymeric zwitterions have improved surface hydration, which correlates with improved fouling resistance to <em>Ulva linza</em>. This dataset contains the necessary experimental data to reproduce the main text and supporting figures. Nuclear magnetic resonance spectra, vibrational sum frequency generation spectra, marine fouling assays, and contact angle measurements are included.</p>
Charge trapping for controllable persistent luminescence in organics
<p>Persistent luminescence, long-lived emission from inorganic or organic materials after the cessation of excitation, receives considerable attention in the field of optoelectronics. Despite great achievements in the past decades, the performance of organic materials still lags behind their inorganic counterparts, which have thousands of years of history. This is largely caused by the limited understanding of the mechanisms involved in organic materials. Here we report trap-induced persistent luminescence (TIP) in organic host-guest materials, with controllable trap depths from 0.11 to 0.56 eV and tunable afterglow emission at wavelengths from 507 to 669 nm via energy level engineering. The TIP phenomenon in a typical TN@TPBi film lasts for more than 24 h, with additional energy stored at room temperature for over 1 week. It is found that the trap depth in TIP is probably determined by the energy gap between the lowest unoccupied molecular orbitals of the radical anions of the host and guest molecules, matching well with density functional theory calculations. TIP was also observed after electrical excitation, demonstrating the potential of exploiting the semiconductor features of the organic hosts. These results provide a fundamental principle to design metal-free organic emitters of persistent luminescence, thereby expanding their applications in fields such as medical delivery identification, semiconductor devices, and imaging techniques.</p>
Toy dataset with pairs of molecules differing in total charge
<pre>On the inclusion of charge and spin states in Cartesian tensor neural network potentials. (2024)<br>Guillem Simeon, Antonio Mirarchi, Raul P. Pelaez, Raimondas Galvelis and Gianni De Fabritiis. Two toy datasets, Dataset A and Dataset B, each one comprising five members of five pairs of<br>unique molecular systems, each of the elements in the pair differing in total charge. <br><br>These pairs are indistinguishable to a neural network that does not account for total charge,<br>as they share identical atomic numbers and geometric configurations.<br><br>The datasets include total charges, Gasteiger partial charges computed with RDKit,<br>and calculated energies and atomic forces for 2000 conformers per molecule using GFN2-xTB.<br><br>Therefore, each dataset contains a total of 10k data points.<br><br>Conformers were generated by minimizing each molecule, displacing atomic positions with Gaussian<br>noise with a standard deviation of 0.2Å, and filtering them such that maximum atomic forces are <br><100 eV/Å. <br>Data Format and Availability:<br> Both datasets are available in HDF5 (Hierarchical Data Format version 5) format,<br>compatible with Ace dataset (layout version 2.0) in TorchMD-Net <br>(https://github.com/torchmd/torchmd-net/blob/main/torchmdnet/datasets/ace.py). Data Structure: Each molecule is assigned a unique integer identifier, consistent across both sub-datasets,<br>facilitating pairing between conformations. The HDF5 file is structured as follows:<br> Each top-level group corresponds to a unique molecule. Within each group, considering N is the number of atoms in the molecule and M is the number of<br>conformations, the following datasets are provided: - atomic_numbers: Atomic numbers of atoms in the molecule, with a shape of (N,); - formal_charges: Formal charges of atoms in the molecule, with a shape of (N,); - formation_energies: Formation energy of each conformation, with a shape of (M,),<br> expressed in units of eV;<br>- forces: Forces on atoms in each conformation, with a shape of (M, N, 3), expressed in eV/Å. - partial_charges: Gasteiger partial charges of atoms in each conformation,<br> with a shape of (M, N), expressed in e; - positions: Cartesian coordinates of atoms in each conformation, with a shape of (M, N, 3),<br> expressed in Å. </pre>
List of charge transport low molecular weight compound geometry files
<p>The dataset comprises geometry files for low molecular weight compounds related to electron transport and hole transport. These files store information about atoms and bonds. The optimization of molecular geometry is performed using Avogadro software. These molecular structural files can subsequently be utilized to calculate energy levels for molecules, for instance, using Gaussian software.</p>
ScienceDex guides
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These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
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.