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2,904 results for “Solute”
Grad-Shafranov equation: MHD simulation of the new solution obtained from the Fadeev and Naval models
<p>This article aims to obtain a new analytical solution of a specific form of the Grad-Shafranov (GS) equation using Walker's formula. The new solution has magnetic field lines with X-type neutral points, magnetic islands and singular points. The singular points are located on the x-axis. The X-points and the center of the magnetic islands do not appear on the x-axis an island appears at $z>0$ and the other two at $z<0$. The aforementioned property allows us to use this solution as an initial condition at $t=0$ s in an magnetohydrodynamic (MHD) numerical simulation by excluding the singular points of the solution, i.e., the x-axis, and maintaining the magnetic structure of the islands, as well as the X-type neutral points. For this, we numerically solve the equations of the classical ideal MHD in two dimensions using the Newtonian CAFE code. The code is based on high resolution shock capturing methods using the Harten-Lax-van Leer-Einfeldt (HLLE) flux formula combined with MINMOD reconstructor. The MHD simulation shows a very fast dissipation in less than one second of the magnetic islands present in the initial configuration. Almost all structures left the integration region at $13.2$ s, and the magnetic field vector reverses its polarity very quickly. In addition, our simulation allows us to observe the fast temporal evolution of the magnetic islands turning into elongated current sheets. As a limitation of the model, the difficulty in relating it to a physical system because of fast temporal evolution is considered.</p>
DFT Dilute Solute Diffusion Database in Mg
<p>This is a database of first-principles results for dilute solute diffusion in HCP magnesium. The diffusivities were computed using the eight-frequency HCP diffusion model, where all the frequencies have been calculated using density functional theory. All eight frequencies for all solutes are reported as well as the diffusion coefficient (D0) and diffusion activation energy (Q).</p>
Accompanying data to "Empowerment or concealed compliance? A review of literature on mobile ICT solutions for patient empowerment"
<p>This file contains the details of the systematic literature review that underlies the article "Empowerment or concealed compliance? A review of literature on mobile ICT solutions for patient empowerment". The article will be published in the proceedings of ACM PETRA 2016. This file contains all the coding tables, and the list of included primary studies.</p>
Output data computed for the solution of Maxwell's equations on a distributed system using the FDTD method
<p>This is an example output dataset from the distributed computation to solve Maxwell's equations using the FDTD method. This is an example from the report describing the implementation of the computer program - Gillan and Fusco (1998). The example is based on the work reported in the book by Kunz and Leubbers on the FDTD method. It consists of scattering a Gaussian pulse from a sphere of dielectric defined with a 3D cube of size 34x34x34 Yee cells. </p>
Sensor solutions for an energy-efficient and user-centered heating system
<p>Corresponding dataset for the article "Sensor solutions for an energy-efficient and user-centered heating system" published in the Journal of Sensors and Sensor Systems Special Issue "Sensors and Measurement Systems 2016".</p>
Predicting subjective liking of bitter and sweet liquid solutions using facial electromyography: mixed model dataset
<p>Hedonic responses to foods are often measured using subjective liking ratings scales. This project investigated the potential use of electromyography as a means to predict subjective liking ratings using affective facial muscle activity recorded at different phases of oral processing while tasting liquids. Using linear mixed models, muscle activity recorded while emptying into the mouth, swirling, and thinking about the taste of bitter and sweet liquid solutions was used to predict subjective liking ratings. During different phases of the tasting, these mixed models demonstrate that zygomaticus major activity predicted increased liking and that corrugator supercilii and levator labii superioris predicted decreased liking. The change in liking ratings predicted by each muscle varied depending on whether participants were emptying, swirling, or thinking about the taste.</p>
Final Version of the Data associated to the publication "A Benchmark for Finite Prandtl Number Convection: Comparison of Boltzmann and Navier-Stokes Solutions"
<p>Final Version of V_rms and Nu for the three codes, GAIA, StreamV, TLBM, used for a benchmark manuscript titled "A Benchmark for Finite Prandtl Number Convection: Comparison of Boltzmann and Navier-Stokes Solutions", Authors: Gabriele Morra, Peter Mora, Christian Huttig, Nicola Tosi, Henri Samuel, David A. Yuen</p> <p>The Zip file contains both npy and out versions of V_rms and Nu. In the out files, time is embedded in each file. In the "npy" version, time is a separate npy file. In this final version, pdf figures for each case are also embedded.</p>
Dataset for "ConfSolv: Prediction of solute conformer free energies across a range of solvents"
<p>This dataset contains three archives. The first archive, full_dataset.zip, contains geometries and free energies for nearly 44,000 solute molecules with almost 9 million conformers, in 42 different solvents. The geometries and gas phase free energies are computed using density functional theory (DFT). The solvation free energy for each conformer is computed using COSMO-RS and the solution free energies are computed using the sum of the gas phase free energies and the solvation free energies. The geometries for each solute conformer are provided as ASE_atoms_objects within a pandas DataFrame, found in the compressed file dft coords.pkl.gz within full_dataset.zip. The gas-phase energies, solvation free energies, and solution free energies are also provided as a pandas DataFrame in the compressed file free_energy.pkl.gz within full_dataset.zip. Ten example data splits for both random and scaffold split types are also provided in the ZIP archive for training models. Scaffold split index 0 is used to generate results in the corresponding publication. </p><p>The second archive, refined_conf_search.zip, contains geometries and free energies for a representative sample of 28 solute molecules from the full dataset that were subject to a refined conformer search and thus had more conformers located. The format of the data is identical to full_dataset.zip.</p><p>The third archive contains one folder for each solvent for which we have provided free energies in full_dataset.zip. Each folder contains the .cosmo file for every solvent conformer used in the COSMOtherm calculations, a dummy input file for the COSMOtherm calculations, and a CSV file that contains the electronic energy of each solvent conformer that needs to be substituted for "EH_Line" in the dummy input file.</p>
GPS RINEX data and position solutions (BUK1 and ARO2)
<p>*.zip => RINEX data</p><p>*.txt => position solutions in IGS20 reference frame</p><p>anal.m => analysis and plotting script in Matlab</p>
Dataset of paper "Phosphate recovery from urine-equivalent solutions for fertiliser production for plant growth"
<p>Dataset of paper "Phosphate recovery from urine-equivalent solutions for fertiliser production for plant growth"</p>
Raman Spectroscopy of the Ilmentite – Geikielite Solid Solution
<p>This dataset includes the Raman spectra and associated compositional metadata of nine ilmenite - geikielite mineral samples acquired on a Bruker BRAVO spectrometer.</p>
Replica-Exchange with Solute Tempering (REST2) Simulations of Histone Tails
<p>Replica at 300 K 1 bar 1 µs trajectories and corresponding parameter files for histone tails alone or with a DNA fragment. The parameter files containing IDP modification are indicated as "idp". </p><p>With DNA fragment, the trajectories are given without solvent and ion and called "nosol". </p>
Supplementary material for the publication: Deep Learning of Crystalline Defects from TEM images: A Solution for the Problem of "Never Enough Training Data"
Open the record for dataset details and reuse information.
BAS-PRO Model Solution for "Modeling Field Line Curvature Scattering Loss of 1 to 10MeV Protons during Geomagnetic Storms"
<p>The file <em>ModelingFLC_BASPRO_solution.zip</em> is a BAS-PRO model solution output archived as a zip file. After extracting the zip file, the solution will be spread across multiple plaintext files. The solution is a grid of proton phase space density multiplied by proton rest mass cubed, f, with units km-6 s3. f is specified in terms of the first, second and third adiabatic invariants μ, K and L as well as time.</p> <p>The solution files can be loaded using the BAS-PRO plotting library, available at <a href="https://github.com/atmosalex/BAS-PRO_plotting" target="_blank" rel="noopener">https://github.com/atmosalex/BAS-PRO_plotting</a>. A copy of the BAS-PRO plotting library has also been bundled with this dataset (<em>BAS-PRO_plotting-main.zip</em>) to prevent potential compatibility issues arising from future updates to the online repository. It is recommend to follow the steps in the "Getting started" section of the plotting library README.md file, as this will result in plots of the solution, and will also convert the plaintext solution files into a single file in binary .cdf format which allows for faster loading.</p> <p>The plaintext solution included in this dataset is made up of two sets of files which correspond to different grid resolutions:</p> <ul> <li>Files ending in 'dyn.txt' are 'dynamic output' files, containing the sampled time evolution of f throughout the simulation period. The dynamic output grid is lower resolution than the original BAS-PRO simulation grid in order to save disk space. These files are useful for producing plots.</li> <li>Files <strong>not</strong> ending in 'dyn.txt' are 'simulation grid' files, containing f at the final simulation epoch only, at the original simulation grid resolution. These files are useful for loading into BAS-PRO as an initial condition, or for plotting the final epoch at higher resolution.</li> </ul> <p>The coordinate range of the 'simulation grid' ('dynamic output') files is as follows:</p> <ul> <li>log10(μ/ (1MeV/G)) ranges from: 0.029384425 to 4.2519649 (0.17108176 to 4.1952860)</li> <li>K ranges from: 0 to 5.729029 (0 to 5.729029) in units G0.5 RE</li> <li>L ranges from: 1.13 to 4.0 (1.13 to 4.0)</li> <li>time ranges from 1388534400 to 1517443200, given in terms of seconds passed since January 1, 1970 UTC, and this time range is from January 1, 2014 to February 1, 2018.</li> </ul> <p>The following table gives a description of each file included:</p> <table> <tbody> <tr> <td><em>axis_mu.txt</em></td> <td>first dimension axis: a list of log10(μ/ (1MeV/G)) for the μ of each simulation grid point</td> </tr> <tr> <td><em>axis_K.txt</em></td> <td>second dimension axis: a list of K for each simulation grid point, with units G0.5 RE</td> </tr> <tr> <td><em>axis_L.txt</em></td> <td>third dimension axis: a list of L at each simulation grid point</td> </tr> <tr> <td><em>axis_t.txt</em></td> <td>time axis: a list of each simulation epoch, showing the history of timestepping</td> </tr> <tr> <td><em>map_iK-aeq.txt</em></td> <td>a 2D grid of equatorial pitch angle (degrees) corresponding to each L (rows) and K (columns) listed in the corresponding simulation axis files. A fill value of -1 is used to signify coordinates outside the trapping region.</td> </tr> <tr> <td><em>iK-0001_2D_en.txt</em></td> <td>a 2D grid of energy, with units of megaelectron volt, at each μ (rows) and L (columns) coordinate defined in the simulation axis files, at the K corresponding to the K index listed in the file name. For example, iK-0001... means the first K on the 3D model grid, corresponding to the first value of K listed in the <em>axis_K.txt</em> file. </td> </tr> <tr> <td><em>iK-0001_2D_f.txt</em></td> <td>a 2D grid of f, with units km-6 s3, at each μ (rows) and L (columns) coordinate defined in the simulation axis files, at the K corresponding to the K index listed in the file name. For example, iK-0001... means the first K on the 3D model grid, corresponding to the first value of K listed in the <em>axis_K.txt</em> file.</td> </tr> <tr> <td><em>iK-0001_axis_aeq.txt</em></td> <td>a list of equatorial pitch angle (degrees) at each L in the <em>axis_L.txt</em> file, at the K index listed in the file name. For example, iK-0001... means the first K on the 3D model grid, corresponding to the first value of K listed in the <em>axis_K.txt</em> file. A fill value of -1 is used to signify coordinates outside the trapping region.</td> </tr> <tr> <td><em>...<br></em></td> <td>...</td> </tr> <tr> <td><em>axis_mu_dyn.txt</em></td> <td>first dimension axis: a list of log10(μ/ (1MeV/G)) for the μ of each grid point in the dynamic output of the model</td> </tr> <tr> <td><em>axis_K_dyn.txt</em></td> <td>second dimension axis: a list of K for each grid point in the dynamic output of the model, with units G0.5 RE</td> </tr> <tr> <td><em>axis_L_dyn.txt</em></td> <td>third dimension axis: a list of L at each grid point in the dynamic output of the model</td> </tr> <tr> <td><em>axis_t_dyn.txt</em></td> <td>time axis: a list of each dynamic output epoch</td> </tr> <tr> <td><em>map_iK-aeq_dyn.txt</em></td> <td>a 2D grid of equatorial pitch angle (degrees) corresponding to each L (rows) and K (columns) listed in the corresponding axis files for the dynamic output. A fill value of -1 is used to signify coordinates outside the trapping region.</td> </tr> <tr> <td><em>iK-0001_2D_en_dyn.txt</em></td> <td>a 2D grid of energy, with units of megaelectron volt, at each μ (rows) and L (columns) coordinate defined in the dynamic output axis files, at the K corresponding to the K index listed in the file name. For example, iK-0001... means the first K on the 3D model grid, corresponding to the first value of K listed in the <em>axis_K_dyn.txt</em> file. </td> </tr> <tr> <td><em>iK-0001_2D_f_dyn.txt</em></td> <td>a 2D grid of f, with units km-6 s3, at each μ (rows) and L (columns) coordinate defined in the dynamic output axis files, at the K corresponding to the K index listed in the file name. For example, iK-0001... means the first K on the 3D model grid, corresponding to the first value of K listed in the <em>axis_K_dyn.txt</em> file. The 2D grid is output for every timestep and appended to the file, so subsequent 2D grids correspond to subsequent timesteps at the same K.</td> </tr> <tr> <td><em>iK-0001_axis_aeq_dyn.txt</em></td> <td>a list of equatorial pitch angle (degrees) at each L in the <em>axis_L_dyn.txt</em> file, at the K index listed in the file name. For example, iK-0001... means the first K on the 3D model grid, corresponding to the first value of K listed in the <em>axis_K_dyn.txt</em> file. A fill value of -1 is used to signify coordinates outside the trapping region.</td> </tr> <tr> <td><em>...</em></td> <td>...</td> </tr> <tr> <td><em>progress.txt</em></td> <td>a file used by the BAS-PRO model to continue from partially complete simulations. It contains three values (one per line): epoch of the simulation start time; total simulation time elapsed (seconds); and a mode select value (1 for dynamic, 0 for steady state)</td> </tr> <tr> <td><em>resume.config</em></td> <td>a backup of the original configuration options used to execute the BAS-PRO simulation, used only by the model</td> </tr> </tbody> </table>
The second research task in the project entitled "Research on the electrodialytic recovery of selected hydrophilic ionic liquids from post-reaction solutions" - NCN project SONATA-17, grant no. 2021/43/D/ST8/02776.
<p><span>The second research task carried out under the project concerns study <span>on the fouling and stability of the ion-exchange membranes</span>. The information relates to research performing for the NCN project SONATA-17, grant no. </span><span>2021/43/D/ST8/02776</span><span>.</span></p>
The first research task in the project entitled "Research on the electrodialytic recovery of selected hydrophilic ionic liquids from post-reaction solutions" - NCN project SONATA-17, grant no. 2021/43/D/ST8/02776.
<p><span>The first research task carried out under the project concerns study on the effectiveness of the selected hydrophilic ILs transport across ion-exchange membranes. The information relates to research performing for the NCN project SONATA-17, grant no. </span><span>2021/43/D/ST8/02776</span><span>.</span></p>
The third research task in the project entitled "Research on the electrodialytic recovery of selected hydrophilic ionic liquids from post-reaction solutions" - NCN project SONATA-17, grant no. 2021/43/D/ST8/02776.
<p><span>The third research task carried out under the project concerns <span>development of mathematical model to describe the transport of ionic liquid in the electrodialysis process. </span>The information relates to research performing for the NCN project SONATA-17, grant no. </span><span>2021/43/D/ST8/02776</span><span>.</span></p>
Solution Canvas: Embracing Failure for Innovation
<p>This canvas was collaboratively crafted by three authors to facilitate discussions aimed at fostering constructive learning from failures. Originally conceptualized in 2023, it underwent successful piloting at the 22nd Annual Meeting of The International Society of Behavioral Nutrition and Physical Activity (ISBNPA) in June 2023 during a 'Church of Fail' Dare2Share session. In response to high demand from participants, it is now being publicly shared. Two versions are available: a coloured digital version and a print-ready version optimized for A2 format. It is available in both English and Danish (with thanks to Mathilde Grøn Laursen from Aarhus University for her support in translating it to Danish).<br><br><strong>Step-by-Step Instructions:</strong></p> <ol> <li> <p>Identify key failures and potential Causes: start by filling in the rocks at the bottom of the template with the key failures encountered and their potential causes. </p> </li> <li> <p>Visualize success without failures: move to the top of the template and envision what success would have looked like if no failures occurred. Describe this vision in detail.</p> </li> <li> <p>Determine required resources: proceed downwards and consider the resources necessary to achieve the envisioned success. These can include human, material, financial, time, and other resources.</p> </li> <li> <p>Evaluate what you can control: assess what resources or factors are within your control and outside your control. This includes considering factors such as availability, accessibility, and influence over obtaining these resources.</p> </li> <li> <p>Reflect and learn: reflect on the information gathered from steps 1-4. Consider what lessons can be learned from the failures, resource assessments, and control evaluations. Reflect on how you might approach similar situations differently in the future based on this analysis.</p> </li> </ol> <p><strong>Supportive Materials: </strong></p> <ul> <li>To understand how this template is utilized in a 'Church of Fail' session, watch our ISBNPA promotional video: https://www.youtube.com/watch?v=M0Scj_mbd5U </li> <li>You can also read about the use of this canvas, and some example failures, in our blog post: https://healthcascade.eu/do-you-dare-to-share-your-co-creation-failures/ </li> <li>You can learn more about the 'Church of Fail' method here: https://www.thespeakingcoach.co.uk/the-church-of-fail </li> </ul> <p>For questions or reflections please reach out to the co-authors: Danielle (<a target="_new">danielle.agnello@gcu.ac.uk</a>), Giuliana (<a target="_new">giulianaraffaellal@blanquerna.url.edu</a>), and Lauren (<a target="_new">lauren.mccaffrey@gcu.ac.uk</a>)</p>
Measuring frontier orbital energy levels of OLED materials using cyclic voltammetry in solution - accompanying data
<p>This dataset contains the data and the Matlab scripts to create the main figures in the published manuscript.</p>
GIS web application for sustainable dike reinforcement solutions using nearby floodplains
<p>This is the dataset and instructions used for the GIS web application developed for the Dutch RAAKpubliek project Rivierwerken (Project nr.: RAAK.PUB09.018).</p>
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