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369 results for “Permeability”

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zenodo44/100

Numerically predicted permeability of over 6500 artificially generated fibrous microstructures

<p>This data set was generated in the project "ML4ProcessSimulation - Machine Learning for Simulation Intelligence in Composite Process Design" (Leibniz Collaborative Excellence funding program: K377/2021), at&nbsp;Leibniz-Institut für Verbundwerkstoffe GmbH. The goals were to create a comprehensive data set for training different neural networks and to gain insight into the influence of fiber structure on permeability. The models represent the fiber structure within fiber bundles in fiber-reinforced plastic composites (FRPC). Over 6500 structure models were generated in the software GeoDict®&nbsp;[1] and the permeability tensor of these models was numerically calculated in the GeoDict® module FlowDict&nbsp;[2]. The zip files contain the structure file (<i>gdt</i>), the model generation result file (<i>FiberGeo_[...].gdr</i>) and the flow simulation result file (<i>LIRStokesResult_[...].gdr</i>). For each zip file is a JSON meta data file available and in addition the gdr files contain all input and output data of the model generation and the flow simulation.&nbsp;The file <i>Table_of_Parameter_studies_and_model_pictures.jpg</i> gives an overview of the parameter studies and exemplarily shows two models each.The data set is divided into three parameter studies:&nbsp;</p><ul><li>1_Parameter_study_round_fibers with round fibers by varying the fiber volume content (fvc), fiber diameter (fdia) and fiber orientation (fdir). For each modeling parameter, 5 - 100 models (random seed or RS) were generated, all differing due to the randomized fiber positioning during model generation.</li><li>2_Parameter_study_elliptical_fibers with elliptical fibers that was varied based on different aspect ratios (asp1, asp2, asp3). In addition, fdia and fvc were varied and 5 models (RS) were calculated.&nbsp;</li><li>3_Parameter_study_undulation with elliptical fibers, whose undulation was varied. In addition, fdia and fvc were varied and 12 models (RS) were calculated.</li></ul><p><i>[1] J. Hilden, S. Rief, and B. Planas, GeoDict 2023 User Guide. FiberGeo handbook. DE: Math2Market GmbH, 2023. Accessed: Oct. 26, 2023. [Online]. Available: https://doi.org/10.30423/userguide.geodict</i></p><p><i>[2] J. Hilden, S. Linden, and B. Planas, "GeoDict 2023 User Guide. FlowDict handbook." Math2Market GmbH, 2023. Accessed: Jul. 31, 2023. [Online]. Available: https://doi.org/10.30423/userguide.geodict</i></p>

opencc-by-4.0Oct 2023View details →
zenodo44/100

Training Deep Learning Models to Estimate Permeability using Geophysical Datasets

<p>This folder contains the dataset for training deep learning models to estimate permeability using hydro-geophysics simulations</p>

opencc-by-4.0Aug 2022View details →
zenodo44/100

CREMP-CycPeptMPDB: Conformer-rotamer ensembles of macrocyclic peptides for machine learning with permeability annotations

<p>CREMP-CycPeptMPDB: A resource generated for the rapid development and evaluation of machine learning models for permeable macrocyclic peptides. CREMP-CycPeptMPDB contains 3,258 unique macrocyclic peptides and their high-quality structural ensembles generated using the Conformer-Rotamer Ensemble Sampling Tool (CREST). Altogether, this dataset contains nearly 8.7 million unique macrocycle geometries, each annotated with energies derived from semi-empirical tight-binding DFT calculations and with experimental membrane permeability measurements obtained from the <a href="http://cycpeptmpdb.com/" target="_blank" rel="noopener">CycPeptMPDB</a> database. We anticipate that this dataset will enable the development of machine learning models that can improve peptide design and optimization for novel therapeutics.</p> <p>This dataset complements the <a title="CREMP" href="../doi/10.5281/zenodo.7931444" target="_blank" rel="noopener">CREMP dataset</a>, which contains a larger selection of conformer ensembles for homodetic macrocyclic peptides.</p> <p>We provide the data in two available formats, either as Python pickle files, which provide quick read access with RDKit version 2022.09.5 or later, and as text-based SDF files with associated metadata in JSON format. Each file is named based on its amino acid sequence, with residues separated by periods, using standard one-letter codes with lowercase letters representing D-amino acids and "Me" prefixes representing <em>N</em>-methylated amino acids. The sequences are in no particular order, e.g., "C.R.E.M.P" and "R.E.M.P.C" correspond to the same peptide macrocycle. The filename extensions are ".pickle", ".sdf", and ".json".</p> <p>Each file in the &ldquo;pickle&rdquo; folder contains a Python dictionary with amino acid sequence, SMILES, CREST metadata, and a single RDKit molecule object containing all conformers. All files in the folder were compressed into a single &ldquo;pickle.tar.gz&rdquo; archive. In the &ldquo;sdf_and_json&rdquo; folder, each individual SDF file contains all conformers, each associated with its own JSON file that contains CREST metadata. Similarly, all are compressed into another single archive, &ldquo;sdf_and_json.tar.bz2&rdquo;. A single summary CSV file is also provided containing &rdquo;sequence&rdquo;, &ldquo;smiles&rdquo;, &ldquo;num_monomers&rdquo;, &ldquo;num_atoms&rdquo;, &ldquo;num_heavy_atoms&rdquo;, along with the CREST metadata &ldquo;totalconfs&rdquo;, &ldquo;uniqueconfs&rdquo;, &ldquo;lowestenergy&rdquo;, &ldquo;poplowestpct&rdquo;, &ldquo;temperature&rdquo;, &ldquo;ensembleenergy&rdquo;, &ldquo;ensembleentropy&rdquo;, and &ldquo;ensemblefreeenergy&rdquo;. The number of unique conformers with different 3D structures is given by &ldquo;uniqueconfs&rdquo;, while &ldquo;totalconfs&rdquo; includes the number of rotamers in addition.</p> <p>The unzipped sizes of the archives are approximately 13 GB for "pickle.tar.gz" and 84 GB for "sdf_and_json.tar.bz2". If you encounter errors when trying to load the pickle files, please make sure your RDKit version is at least 2022.09.5. If that doesn't work, try other Python versions.</p>

opencc-by-4.0Aug 2024View details →
zenodo44/100

Border Permeability Dataset

<p>The Global Mobilities Project&#39;s Border Permeability Dataset contains, for 312 land borders globally, information on how permeable the border is in terms of cross-border transport infrastructure and potential controls via border checkpoints. Automatized computational methods combined with extensive manual checks were used to parse data from OpenStreetMap and the World Food Programme to detect cross-border transport infrastructure and checkpoints. Apart from various specifications of the overall border permeability index (BPI), the dataset also contains information on the amount of individual infrastructure types such as highways, cycleways, footpaths, railroads, etc. at land borders worldwide. Almost 40 different infrastructure types are covered.</p> <p>Please cite as:</p> <p>Deutschmann, E., L. Gabrielli &amp; E. Recchi. 2023. Roads, Rails, and Checkpoints: Assessing the Permeability of Nation-State Borders Worldwide. <em>World Development</em> 164: 106175. <a href="https://doi.org/10.1016/j.worlddev.2022.106175">https://doi.org/10.1016/j.worlddev.2022.106175</a></p>

opencc-by-4.0Dec 2022View details →
zenodo40/100

MarTREC Project Datasets for Effect of Permeability Variation of Expansive Yazoo Clay at the Maritime and Multimodal Transportation Infrastructure in Mississippi

<p>The existence of Yazoo clay soil in Mississippi frequently causes distress to the pavement and cause deformation at the slopes in highways and levees, which are a critical component in Maritime and multimodal transportation infrastructure. Each year, fixing the pavement requires a significant maintenance budget of MDOT. Also, the infiltration of the rainwater in the highway and levee slopes leads to landslides, which require millions of maintenance dollars each year. Due to the shrinkage and swelling behavior of the Yazoo clay, the hydraulic conductivity varies over the different seasons and has higher vertical permeability during the dry season. With high vertical permeability, the rainwater can easily percolate in the pavement subgrade and slopes, which accelerates the failure. The current study investigates the change in unsaturated vertical and horizontal permeability and its effect on the maritime and multimodal infrastructures, especially on the pavement and slopes of highway embankment and levees. The attached datasets include the laboratory test and finite element modeling findings.</p>

opencc-by-4.0May 2020View details →
zenodo40/100

Resilient and sustainable Permeable Pavements For urban Flood Mitigation

<p>Permeable pavements are more sustainable option towards climate change as they maintain the hydrological cycle. However, they suffer from problems such as lower strength and integrity. In this project, this issue is addressed in three main stages: a. development of high viscosity bitumen; b. evaluating different types of additives to be used in porous asphalt mixtures (surface course of permeable pavements); c. Development of a multi-criteria tool to implement the permeable pavement system using GIS software.&nbsp;</p>

opencc-by-4.0Dec 2020View details →
zenodo40/100

Molecular dynamic trajectory of magnesium binding wild type for the article "Ca 2+ binding to F-ATP synthase β subunit triggers the mitochondrial permeability transition"

<p>ATP synthase molecular dynamics simulations files for wild type of the beta subunit binding magnesium:</p> <p>50ns trajectory (ATPsynth_woh2o_Mg_wt.dcd) and corresponding psf file (ATPsynth_mg_wt.psf)</p>

opencc-by-4.0May 2017View details →
zenodo40/100

Molecular dynamic trajectory of calcium binding T163S mutant for the article "Ca 2+ binding to F-ATP synthase β subunit triggers the mitochondrial permeability transition"

<p>ATP synthase molecular dynamics simulations files for T163S mutants of the beta subunit binding calcium:</p> <p>50ns trajectory (ATPsynth_woh2o_Ca_mut.dcd) and corresponding psf file (ATPsynth_ca_mut.psf)</p>

opencc-by-4.0May 2017View details →
zenodo40/100

Molecular dynamic trajectory of calcium binding wild type for the article "Ca 2+ binding to F-ATP synthase β subunit triggers the mitochondrial permeability transition"

<p>ATP synthase molecular dynamics simulations files for wild type of the beta subunit binding calcium:</p> <p>50ns trajectory (ATPsynth_woh2o_Ca_wt.dcd) and corresponding psf file (ATPsynth_ca_wt.psf)</p> <p> </p>

opencc-by-4.0May 2017View details →
zenodo40/100

Molecular dynamic trajectory of magnesium binding T163S mutant for the article "Ca 2+ binding to F-ATP synthase β subunit triggers the mitochondrial permeability transition"

<p>ATP synthase molecular dynamics simulations files for T163S mutants of the beta subunit binding magnesium:</p> <p>50ns trajectory (ATPsynth_woh2o_Mg_mut.dcd) and corresponding psf file (ATPsynth_mg_mut.psf)</p> <p> </p>

opencc-by-4.0May 2017View details →
zenodo40/100

Dataset for "Permeability development during fault growth and slip in granite"

<p>This is a dataset accompanying the publication entitled "Permeability development during fault growth and slip in granite" by F.M. Aben, A. Farsi, and N. Brantut (submitted). The dataset contains the data acquired during three rock deformation experiments (sample numbers WGMS2, WGMS3, WGMS4) on Westerly granite, and is comprised of:</p> <ul> <li>Notes of the experiments</li> <li>Mechanical data in .txt files, where the header indicates what the column's values are. The experiment name and phase are contained in the file names.&nbsp;</li> <li>Processed ultrasonic data in .jld2 format for experiment WGMS4</li> </ul> <p>&nbsp;</p>

opencc-by-4.0Mar 2024View details →
zenodo40/100

Data set: On the porosity-dependent permeability and conductivity of triply periodic minimal surface based porous media

<p>This file contains all processed data from the simulations and calculations.</p>

opencc-by-4.0Apr 2022View details →
zenodo40/100

Temperature effect on non-Darcian flow in low-permeability porous media

<p>This dataset includes&nbsp;the measured threshold gradients and permeabilities of low permeability porous at 3 temperatures, and the measured hydraulic gradients and flow velocities of different permeabilities at 3 temperatures.&nbsp;The experiment is&nbsp;designed to reveal the temperature effects on the non-Darcian flow in low permeability porous media.&nbsp;</p>

opencc-by-4.0Mar 2022View details →
zenodo40/100

The hydro-mechanical properties of fracture intersections: pressure dependant permeability and effective stress law

<p>The present repository includes the raw permeability data presented in the manuscript submitted for publication in Journal of Geophysical Research: Solid Earth entitled&nbsp;<em>The hydro-mechanical properties of fracture intersections: pressure-dependant permeability and effective stress law.</em></p> <p>The repository is presented as compressed folders&nbsp;named&nbsp;after the Figures of the manuscript where the data is presented.&nbsp;</p>

opencc-by-4.0Aug 2022View details →
zenodo40/100

General database of O2/CO2 and H20 permeability for polymer-based nano composites

<p>More than 1000 values (i.e. about 170 articles) of the 1995-2015 period containing measured values of O2, CO2 and H2O permeability in polymer-based nanocomposites were collected from the available literature and capitalized in this dedicated on-line database. These data were assorted and compared in order to decipher the role of particle shape (either iso-dimensional, elongated or platelets nanoparticles) on the reduction of the relative permeability of the nano composite. The proposed on-line database consists in the first and unprecedented compilation of permeability values for nanocomposite based materials.</p>

opencc-by-4.0Jan 2018View details →
zenodo40/100

Permeability Prediction in Rocks Experiencing Mineral Precipitation and Dissolution: A Numerical Study

<p>Data sets for the Publication &#39;Permeability Prediction in Rocks Experiencing Mineral Precipitation and Dissolution: A Numerical Study&#39; in Water Resources Research.</p>

opencc-by-4.0Feb 2019View details →
zenodo40/100

Figure 5 in Comparing landscape suitability and permeability with and without migration data: the influence of species movement behavior

Figure 5. Predicted areas of high permeability for wild sheep's seasonal movements using full set of occurrence data (left panel) and only data compiled within the PAs (right panel) between Mooteh WR and Haftad-Gholle PA.

opencc-by-4.0May 2020View details →
zenodo40/100

Figure 3 in Comparing landscape suitability and permeability with and without migration data: the influence of species movement behavior

Figure 3. Distribution of wild sheep predicted using the full set of occurrence data (left panel) and only occurrence data associated with home range use within the PAs (right panel)

opencc-by-4.0May 2020View details →
zenodo40/100

Figure 4 in Comparing landscape suitability and permeability with and without migration data: the influence of species movement behavior

Figure 4. Suitable and unsuitable habitats of wild sheep using full set of occurrence data (left panel) and only data compiled within the PAs (right panel).

opencc-by-4.0May 2020View details →
zenodo40/100

Figure 1 in Comparing landscape suitability and permeability with and without migration data: the influence of species movement behavior

Figure 1. Geographic location of the study area between Isfahan and Markazi provinces in central Iran.

opencc-by-4.0May 2020View details →

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