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5,526 results for “information”
Constraining Andean Propagation of Exhumation at the Limit of the Eastern Cordillera, NW Argentina, using Low-Temperature Thermochronology in a Structural Context - Supporting Information
<p>Supporting information accompanying the publication "Constraining Andean Propagation at the Limit of the Eastern Cordillera, NW Argentina, using Low-Temperature Thermochronology in a Structural Context" published in Tectonics. The dataset contains apatite and zircon (U-Th-Sm)/He and apatite fission track data from the Tilcara Range and San Lucas block, Jujuy, Argentina, as well as additional QTQt thermal models that are discussed in the paper.</p> <p>Table S1 contains full single-grain results from apatite fission track, apatite (AHe) (U-Th-Sm)/He and zircon (ZHe) (U-Th-Sm)/He analyses. Outliers are marked in grey and are not included in the weighted mean age. Figure S1 supports (U-Th-Sm)/He data graphically. Apatite fission track (AFT) data is supported by radial plots in Figure S2. Figure S3 shows QTQt thermal models using either AHe, AFT or ZHe single-grain ages. All of the models results are explained in the main text.</p>
Supporting information for the paper: The temporal relationship between Terrestrial Gamma-ray flashes and associated optical pulses from lightning
<p>Supporting information for the paper: The temporal relationship between Terrestrial Gamma-ray flashes and associated optical pulses from lightning, consisting of 2 data files and 221 presentations of TGF-Optical emission events observed by ASIM between end of March 2019 and November 2020.</p> <p>See 0_READ_ME for information about the individual files and variables.</p>
Supporting Information for "From Hofmeister to hydrotrope: Effect of anion hydrocarbon chain length on a polymer brush"
<p>This deposition contains the data and analysis (Jupyter notebooks) detailed in “From Hofmeister to hydrotrope: Effect of anion hydrocarbon chain length on a polymer brush”. All Jupyter notebooks have also been converted into PDF files for ease of viewing.</p> <p>All data and code (notebooks) required to reproduce the analysis can be found within the “supporting_data_analysis.zip” archive. This archive contains four sub-directories:</p> <ul> <li>Computional_data <ul> <li>Optimised geometry files (.xyz) for all short chain fatty acid (SCFA) anion-solvent and anion-NIPAM fragment structures.</li> <li>Summary of analysed data (“SAPT_computational_data.xlsx”) describing the different interaction energies between a SCFA anion-NIPAM fragment and anion-solvent: electrostatic, exchange, induction, dispersion and total interaction energy contributions.</li> </ul> </li> <li>Ellipsometry <ul> <li>Data directory containing all raw ellipsometry data.</li> <li>“refellips_Dry.ipynb” and “refellips_Spectroscopic_SL.ipynb” notebooks to reproduce the analysis of a dry (solid-air) and hydrated (solid-liquid) polymer brush, respectively. </li> <li>A spatial map of the polymer brush used for spectroscopic ellipsometry data analysis: “PNIPAM_brush_spatial_map.png”.</li> <li>“Ellipsometry_sigmoid_fitting.ipynb” notebook and “Water_data.csv” file for the demonstration of the extraction of a thermotransition temperature from an ellipsometry dataset. Relevant plotting tools can be found in the <a href="https://github.com/refnx/refellips">refellips repo</a>.</li> </ul> </li> <li>Neutron_reflectometry <ul> <li>Data directory containing all relevant reduced reflectivity profiles from the Platypus reflectometry at ANSTO.</li> <li>“refnx_dry.ipynb”, “refnx_D2O.ipynb” and “refnx_SCFA_electrolytes.ipynb notebooks required to reproduce the analysis pertaining to a dry, polymer brush and a brush exposed to pure D<sub>2</sub>O and various SCFA electrolytes, respectively.</li> <li>Additional code required to model the hydrated polymer brush and various plotting tools can be in the <a href="https://github.com/igresh/refnxtoolbox">refnxtoolbox repo</a>.</li> </ul> </li> <li>QCMD_data <ul> <li>Data directory containing all processed QCM-D data (.csv)</li> </ul> </li> </ul>
High level information - Neurophysiological data
<p>The dataset includes the the neurometric data derived from the neurophysiological data that was collected during the experimental phases of the WorkingAge project. In particular, Electroculographic (EOG), Photoplethysmographic (PPG) and Electro Dermal Activity (EDA) features are included in the Excel files. Furthermore, the high level information about the mental states, such as the mental workload, the stress and the emotional state, related to the workers involved in the experimental protocols is included.</p>
Tagging and tracking information for radiotagged Chinook Salmon in the Copper River, Alaska 2021
<p>The first worksheet (2021 Raw Data) consists of each radiotagged fish and its relevant information including date of capture, the frequency and code of the transmitter, length (MEF) and age. Subsequent columns are Julian dates when they passed fixed tracking stations. The final 4 columns are fate columns. The last column is a general description of the general fate of each fish.</p> <p> </p> <p>The final worksheet (2021 summary) summarizes fates of all fish by tagging date. This is the primary input file for the Program R which has a code written to do the data analyses for this study.</p>
Data to accompany the publication "Combined biophysical and genetic modelling approaches reveal complementary information about population connectivity of New Zealand green-lipped mussels"
<p>Data to accompany the publication "Combined biophysical and genetic modelling approaches reveal complementary information about population connectivity of New Zealand green-lipped mussels". </p> <p>migrationmatrix14.txt contains the particle tracking matrix, with the total number of particles that migrated from row i to column j (out of a total of 2217864 particles released per population).</p> <p>mussel_microsat_Genepop.txt contains the microsatellite data for each population in Genepop format.</p>
Environmental morphing enables informed dispersal of the dandelion diaspore
<p>This repository contains source data for the following preprint: </p> <p>Seale M, Zhdanov O, Soons MB, Cummins C, Kroll E, Blatt MR, Zare-Behtash H, Busse A, Mastropaolo E, Bullock JM, Viola IM, Nakayama N (2022) Environmental morphing enables informed dispersal of the dandelion diaspore, bioRxiv, https://doi.org/10.1101/542696</p> <p> </p> <p> </p>
Pre- and post-intervention responses to a knowledge, attitudes, and practices survey for the study, "Disseminating vaccination information in baby soap products increases knowledge and vaccine uptake in central Uganda: A non-randomized controlled trial"
<p>This dataset contains responses to the pre- and post-intervention knowledge, attitudes, and practices surveys utilized for the study, "Disseminating vaccination information in baby soap products increases knowledge and vaccine uptake in central Uganda: A non-randomized controlled trial."</p>
Supplementary Information of "Introgression between highly divergent sea squirt genomes: an adaptive breakthrough?"
<p><strong>Supplementary Figures</strong></p> <p><strong>Figure S1</strong> Population genetic statistics calculated in non-overlapping 10 Kb windows along the 14 chromosomes in the sea squirt genome.<br> <strong>Figure S2</strong> <em>C. robusta</em> introgression into <em>C. intestinalis</em> shown across the 14 chromosomes.<br> <strong>Figure S3</strong> Population genetic statistics of the <em>C. robusta</em> introgressed coding sequences.<br> <strong>Figure S4 </strong>ABBA-BABA introgression patterns using<em> C. edwardsi </em>as an outgroup.<br> <strong>Figure S5</strong> Inference of the divergence history between <em>C. robusta</em> and <em>C. intestinalis</em> with moments.<br> <strong>Figure S6 </strong>Selection tests.<br> <strong>Figure S7 </strong><em>C. robusta</em> ancestry along chromosome 5 in <em>C. intestinalis</em> individuals.<br> <strong>Figure S8</strong> Neighbor-joining trees of 50 Kb windows framing the “missing data region” (grey band) at the center of the chromosome 5 hotspot.<br> <strong>Figure S9</strong> Copy number variation at candidate SNPs in the introgression hotspot on chromosome 5 (700 Kb - 1.5 Mb).<br> <strong>Figure S10</strong> Structural analysis of the “missing data region” on chromosome 5 (from 1,009,000 to 1,055,000 bp).</p> <p> </p> <p><strong>Supplementary Tables</strong></p> <p><strong>Table S1</strong> Sample information.<br> <strong>Table S2 </strong>Correlation between chromosomes of the individual <em>C. robusta </em>ancestry fraction.<br> <strong>Table S3</strong> Demographic results with moments – excluding chromosome 5.<br> <strong>Table S4</strong> Demographic results with moments – including chromosome 5.<br> <strong>Table S5 </strong>Description of the Supplementary Data.</p> <p> </p> <p><strong>Supplementary Scripts</strong></p> <p><em>Bioinformatic pipeline used for genotyping and haplotyping.</em></p> <p><strong>Script #1</strong>: prepare the reference genome for BWA and GATK.<br> reference_bwa_GATK_CF.sh<br> <strong>Script #2</strong>: mapping the reads to the reference with BWA.<br> mapping_bwa-mem_CF.sh<br> <strong>Script #3</strong>: indel realignment with GATK.<br> indel_realignment_CF.sh<br> <strong>Script #4</strong>: individual variant calling in gVCF format with GATK.<br> snpindel_callingGVCF_raw_CF.sh<br> <strong>Script #5</strong>: joint genotyping with GATK.<br> joint_genotyping_raw_CF.sh<br> <strong>Script #6</strong>: genotype refinement with GATK.<br> genotype_refinement_raw_CF.sh<br> <strong>Script #7</strong>: SNPs and indels recalibration with GATK.<br> snpindel_recalibration_CF.sh<br> <strong>Script #8</strong>: genotype refinement after recalibration with GATK.<br> genotype_refinement_recal_CF.sh<br> <strong>Script #9</strong>: genotype correction.<br> phase_by_transmission_correctCalling_CF@2020.sh<br> <strong>Script #10</strong>: phasing with GATK and BEAGLE.<br> phase_by_transmission_clean_CF@2020.sh</p> <p><em>Pipeline used for the demographic inferences with moments.</em></p> <p><strong>Script #11</strong>: define the demographic models.<br> moments_models_2pop_bb_parallel_folded_2periods.py<br> <strong>Script #12</strong>: run the demographic inferences.<br> moments_inference_dualanneal_bb_parallel_folded_2periods_bounds.py</p>
Genomics‐informed delineation of conservation units in a desert amphibian
<p>Delineating conservation units (CUs, e.g., evolutionarily significant units, ESUs, and management units, MUs) is critical to the recovery of declining species because CUs inform both listing status and management actions. Genomic data have strengths and limitations in informing CU delineation and related management questions in natural systems. We illustrate the value of using genomic data in combination with landscape, dispersal, and occupancy data, to inform CU delineation in Nevada populations of the Great Basin Distinct Population Segment of the Columbia spotted frog (<em>Rana luteiventris</em>). <em>R</em>. <em>luteiventris</em> occupies naturally fragmented aquatic habitats in this xeric region, but beaver removal, climate change, and other factors have put many of these populations at high risk of extirpation without management intervention. We addressed three objectives: (1) assessing support for ESUs within Nevada; (2) evaluating and revising, if warranted, the current delineation of MUs; and (3) evaluating genetic diversity, effective population size, adaptive differentiation, and functional connectivity to inform ongoing management actions. We found little support for ESUs within Nevada but did identify potential revisions to MUs based on unique landscape drivers of connectivity that distinguish these desert populations from those in the northern portion of the species range. Effective sizes were uniformly small, with low genetic diversity and weak signatures of adaptive differentiation. Our findings suggest that management actions, including translocations and genetic rescue, might be warranted. Our study illustrates how a carefully planned genetic study, designed to address priority management goals that include CU delineation, can provide multiple insights to inform conservation action.</p>
Extracting abundance information from DNA-based data
<p><span><span><span><span>The accurate extraction of species-abundance information from DNA-based data (metabarcoding, metagenomics) could contribute usefully to the reconstruction of diets and quantitative foodwebs, the inference of species interactions, the modelling of population dynamics and species distributions, the biomonitoring of environmental state and change, and the inference of false positives and negatives. However, capture bias, capture noise, species pipeline biases, and pipeline noise all combine to inject error into DNA-based datasets. This review focuses on methods for correcting the latter two error sources, as the first two are addressed extensively in the ecological survey literature. To extract abundance information from DNA-based data, it is useful to distinguish two concepts. (1) <em>Across</em>-species quantification describes relative species abundances within a single sample. (2) In contrast, <em>within</em>-species quantification describes how the abundance of each individual species varies across samples, where the samples could be a time series, an environmental gradient, or different experimental treatments. In the first part of this paper, we review methods to remove species pipeline biases and pipeline noise. In the second part, we provide a detailed protocol and demonstrate experimentally how to use a 'DNA spike-in' (an internal standard) to remove pipeline noise and recover within-species abundance information.</span></span></span></span></p>
Data archive for the peer-reviewed journal article "Information content and aerosol property retrieval potential for different types of in situ polar nephelometer data"
<p>Data archive accompanying the peer-reviewed journal article "Information content and aerosol property retrieval potential for different types of in situ polar nephelometer data". This article was accepted for publication in the journal <em>Atmospheric Measurement Techniques</em> in 2022. The original contributions presented in the study are included in the article and its supplementary information. The GRASP-OPEN model was used to perform forward calculations: this model is publicly available on the official GRASP website (https://www.grasp-open.com/; last access: 14 September, 2022). The specific GRASP-OPEN model outputs that were used for the study are contained in this data archive. </p>
Supplementary information for yqiC and global transcriptome in Salmonella
<p>Supplementary information (Additional files 1-22, including 3 files, Table S1-S9, Fig. S1-S10) in the article entitled "Effects of colonization-associated gene <em>yqiC</em> on global transcriptome, cellular respiration, and oxidative stress in <em>Salmonella </em>Typhimurium"</p>
Applying a generic and fast coarse-grained molecular dynamics model to extensively study the mechanical behavior of polymer nanocomposites: supplementary information and dataset
<p><strong>Abstract:</strong><br> (from [1])</p> <blockquote> <p>The addition of nano-sized filler particles enhances the mechanical performance of polymers. The resulting properties of the polymer nanocomposite depend on a complex interplay of influence factors such as material pairing, filler size, and content as well as filler-matrix adhesion. As a complement to experimental studies, numerical methods, such as molecular dynamics (MD), facilitate an isolated examination of the individual factors in order to understand their interaction better. However, particle-based simulations are, in general, computationally very expensive, rendering a thorough investigation of nanocomposites’ mechanical behavior both expensive and time-consuming. Therefore, this paper presents a fast coarse-grained MD model for a generic nanoparticle-reinforced thermoplastic. First, we examine the matrix and filler phase individually, which exhibit isotropic elasto-viscoplastic and anisotropic elastic behavior, respectively. Based on this, we demonstrate that the effect of filler size, filler content, and filler-matrix adhesion on the stiffness and strength of the nanocomposite corresponds very well with experimental findings in the literature. Consequently, the presented computationally efficient MD model enables the analysis of a generic polymer nanocomposite. In addition to the obtained insights into the mechanical behavior, the material characterization provides the basis for a future continuum mechanical description, which bridges the gap to the engineering scale. </p> </blockquote> <p> </p> <p><strong>Contact:</strong></p> <p>Maximilian Ries<br> Institute of Applied Mechanics<br> Friedrich-Alexander-Universität Erlangen-Nürnberg<br> Egerlandstr. 5<br> 91058 Erlangen</p> <p><strong>Software:</strong></p> <p>All MD simulations were performed with LAMMPS [2], version: 29 Oct 2020 / 20201029</p> <p>Compiled with<br> Compiler: GNU C++ 4.8.5 20150623 (Red Hat 4.8.5-39) with OpenMP not enabled<br> C++ standard: C++11</p> <p>Active compile time flags:<br> -DLAMMPS_GZIP<br> -DLAMMPS_SMALLBIG</p> <p>Installed packages<strong>:</strong><br> CLASS2, KSPACE, MANYBODY, MC, MOLECULE, MPIIO, OPT, VORONOI, USER-INTEL, USER-MISC, USER-MOLFILE, USER-NETCD</p> <p>Polymer and polymer composite samples generated with self-avoiding random-walk algorithm [3]</p> <p>Post-processing Matlab R2019b</p> <p>Evaluation of polymer entanglements with Z1-Algorithm [4]</p> <p> </p> <p><strong>License:</strong></p> <p>Creative Commons Attribution 4.0 International</p> <p> </p> <p><strong>Context:</strong></p> <p>Data set supplementing journal paper:</p> <p>[1] M. Ries, J. Seibert, P. Steinmann, S. Pfaller. “Applying a generic and fast coarse-grained molecular dynamics model to extensively study the mechanical behavior of polymer nanocomposites”, Express Polymer Letters, <strong>2022</strong>, 16.</p> <p>This dataset contains the results presented in [1] and the necessary data to obtain those as well as supplementary information.</p> <p><strong>Content:</strong></p> <p>supplementary material:</p> <p>supplementary_information.pdf</p> <p>data:<br> folder names vary depending on the context, explained in the following:</p> <p> </p> <p>01_matrix</p> <ul> <li> <p>01_equilibration<br> sample equilibration to different temperatures<br> nomenclature: equil_<chains>-<chain_atoms>-box_<initial_box_length>-min_<SARW_distance>-angle_<SARW_angle>-T_<final_temperature>[-<batch_ID>]</p> <ul> <li> <p>chains: 200</p> </li> <li> <p>chain_atoms: 200</p> </li> <li> <p>initial_box_length: 100</p> </li> <li> <p>SARW_distance: 0.9</p> </li> <li> <p>SARW_angle: 50</p> </li> <li> <p>final_temperature: 0.1-1.0</p> </li> <li> <p>batch_ID: 2-5 </p> </li> </ul> </li> <li> <p>02_temperature_dependence<br> uniaxial tension simulations to identify temperature dependence<br> nomenclature: 01_UT_<chains>-<chain_atoms>-box_<initial_box_length>-min_<SARW_distance>-angle_<SARW_angle>-T_<final_temperature></p> <ul> <li> <p>chains: 200</p> </li> <li> <p>chain_atoms: 200</p> </li> <li> <p>initial_box_length: 100</p> </li> <li> <p>SARW_distance: 0.9</p> </li> <li> <p>SARW_angle: 50</p> </li> <li> <p>final_temperature: 0.1-1.0</p> </li> </ul> </li> <li> <p>03_directional_dependence<br> uniaxial tension simulations to prove isotropy in Y and Z direction; X direction in 04_rate_dependence<br> nomenclature: 03_UT_<chains>-<chain_atoms>-box_<initial_box_length>-min_<SARW_distance>-angle_<SARW_angle>-T_<final_temperature>-rate_<strain_rate>-<batchID></p> <ul> <li> <p>chains: 200</p> </li> <li> <p>chain_atoms: 200</p> </li> <li> <p>initial_box_length: 100</p> </li> <li> <p>SARW_distance: 0.9</p> </li> <li> <p>SARW_angle: 50</p> </li> <li> <p>final_temperature: 0.3</p> </li> <li> <p>strain_rate: 5E-5</p> </li> <li> <p>batchID: 1-5</p> </li> </ul> </li> <li> <p>04_rate_dependence<br> uniaxial tension simulations to identify strain rate dependence<br> nomenclature: 03_UT_<chains>-<chain_atoms>-box_<initial_box_length>-min_<SARW_distance>-angle_<SARW_angle>-T_<final_temperature>-rate_<strain_rate>[-<batchID>]</p> <ul> <li> <p>chains: 200</p> </li> <li> <p>chain_atoms: 200</p> </li> <li> <p>initial_box_length: 100</p> </li> <li> <p>SARW_distance: 0.9</p> </li> <li> <p>SARW_angle: 50</p> </li> <li> <p>final_temperature: 0.3</p> </li> <li> <p>strain_rate: 5E-4, 5E-5, 5E-6</p> </li> <li> <p>batchID: 1-5</p> </li> </ul> </li> <li> <p>05_cyclic_loading<br> sinusoidal uniaxial deformation<br> nomenclature: 05_UT_<chains>-<chain_atoms>-box_<initial_box_length>-min_<SARW_distance>-angle_<SARW_angle>-T_<final_temperature>-rate_<strain_rate>-sin_<strain_amplitude></p> <ul> <li> <p>chains: 200</p> </li> <li> <p>chain_atoms: 200</p> </li> <li> <p>initial_box_length: 100</p> </li> <li> <p>SARW_distance: 0.9</p> </li> <li> <p>SARW_angle: 50</p> </li> <li> <p>final_temperature: 0.3</p> </li> <li> <p>strain_rate: 5E-4</p> </li> <li> <p>strain_amplitude: 0.01, 0.05, 0.15, 0.2</p> </li> </ul> </li> <li> <p>06_relaxation<br> relaxation subsequent to time-proportional deformation<br> nomenclature: 07_UT_<chains>-<chain_atoms>-box_<initial_box_length>-min_<SARW_distance>-angle_<SARW_angle>-T_<final_temperature>-rate_<strain_rate>-sin_<strain_amplitude>_relax</p> <ul> <li> <p>chains: 200</p> </li> <li> <p>chain_atoms: 200</p> </li> <li> <p>initial_box_length: 100</p> </li> <li> <p>SARW_distance: 0.9</p> </li> <li> <p>SARW_angle: 50</p> </li> <li> <p>final_temperature: 0.3</p> </li> <li> <p>strain_rate: 5E-4</p> </li> <li> <p>strain_amplitude: 0.01, 0.05, 0.15, 0.2</p> </li> </ul> </li> <li> <p>07_simple_shear<br> time-proportional simple shear deformation with different strain rates<br> nomenclature: SS_P2VPSi-rate_<strain_rate>-<batchID></p> <ul> <li> <p>strain_rate: 5E-4, 5E-5, 5E-6</p> </li> <li> <p>batchID: 1-5</p> </li> </ul> </li> <li> <p>08_large_deformation<br> uniaxial deformation up to 100% strain<br> nomenclature: 02_UT_<chains>-<chain_atoms>-box_<initial_box_length>-min_<SARW_distance>-angle_<SARW_angle>-T_<final_temperatur>-strain_<max_strain></p> <ul> <li> <p>chains: 200</p> </li> <li> <p>chain_atoms: 200</p> </li> <li> <p>initial_box_length: 100</p> </li> <li> <p>SARW_distance: 0.9</p> </li> <li> <p>SARW_angle: 50</p> </li> <li> <p>final_temperature: 0.3</p> </li> <li> <p>max_strain: 1</p> </li> </ul> </li> </ul> <p>02_filler</p> <ul> <li> <p>01_Silica_equilibration<br> sample equilibration</p> </li> <li> <p>02_time_proportional<br> time-proportional uniaxial and simple shear tests<br> nomenclature: Silica_BV-<loadcase>_<direction>-strain_<max_strain>-rate_<strain_rate></p> <ul> <li> <p>loadcase: uniaxial tension (UT), simple shear (SS)</p> </li> <li> <p>max_strain: 0.1</p> </li> <li> <p>direction: X, Y, Z (UT); XY, XZ, YZ (SS)</p> </li> <li> <p>strain_rate: 5E-4, 5E-5, 5E-6</p> </li> </ul> </li> <li> <p>03_time_periodic<br> time-periodic uniaxial and simple shear tests<br> nomenclature: Silica_BV-<loadcase>_<direction>_sin-ampl_<strain_amplitude>-rate_<max_strain_rate></p> <ul> <li> <p>loadcase: uniaxial tension (UT), simple shear (SS)</p> </li> <li> <p>direction: X, Y, Z (UT); XY, XZ, YZ (SS)</p> </li> <li> <p>strain_amplitude: 0.025</p> </li> </ul> </li> </ul> <p>03_composite</p> <ul> <li> <p>01_equilibration<br> sample equilibration<br> nomenclature: equil_P2VPSi-rNP_<filler_radius>-nNP_<filler_number>-<batchID></p> <ul> <li> <p>filler_radius: 2.5-10.0</p> </li> <li> <p>filler_number: 1-160 (depending on filler_radius)</p> </li> <li> <p>batchID: 1-5</p> </li> </ul> </li> <li> <p>02_uniaxial-tension<br> uniaxial tension simulations<br> nomenclature: UT_P2VPSi-rNP_<filler_radius>-nNP_<filler_number>-<batchID></p> <ul> <li> <p>filler_radius: 2.5-10.0</p> </li> <li> <p>filler_number: 1-160 (depending on filler_radius)</p> </li> <li> <p>batchID: 1-5</p> </li> </ul> </li> <li> <p>03_filler-maxtrix-adhesion<br> equilibration and uniaxial deformation of samples with mid and weak filler-matrix adhesion (for strong adhesion see 01_equilibration and 02_uniaxial-tension<br> nomenclature: see above</p> </li> <li> <p>04_IP_equilibration<br> equilibration of samples to evaluate the microstructure for neat polymer and composites with filler radius 2.5-7.5<br> nomenclature: P2VPSi-<chains>x<chain_atoms>_rNP_<filler_radius>-nNP_<filler_number>_pos_<filler_pos>-<batchID></p> <ul> <li> <p>chains: 200</p> </li> <li> <p>chain_atoms: 200</p> </li> <li> <p>filler_radius: 0 (neat), 2.5, 5.0, 7.5</p> </li> <li> <p>filler_number: 0 (neat), 1</p> </li> <li> <p>batchID: 1-20</p> </li> </ul> </li> </ul> <p> </p> <p> </p> <p>Each simulation directory contains:</p> <ul> <li> <p>lammps input file (*.in) of the specific simulation</p> </li> <li> <p>data file (*.data) containing the initial sample configuration</p> </li> <li> <p>input.prm: input parameters of the specific simulation (read by the input file)</p> </li> <li> <p>meta.info: meta data of the specific simulation run</p> </li> <li> <p>LAMMPS_out:<br> simulation results (lammps thermo_out) in tabulated form, an overview of columns is given below</p> <ul> <li> <p>thermo_out.Dat: raw output </p> </li> <li> <p>thermo_out_SG.Dat: smoothed output (Savitzky-Golay filter)</p> </li> <li> <p>thermo_out_STD.Dat: standard deviation of raw output</p> </li> </ul> </li> </ul> <p> </p> <p>Output quantities (columns of *.Dat files):<br> Please note that the normalized Lennard-Jones unit set is used, so all quantities are normalized to fundamental mass, length, energy, time and the Boltzmann constant. Thus all entries are unitless [1].</p> <ul> <li> <p>Step: time step </p> </li> <li> <p>Time: time </p> </li> <li> <p>TotEng: total energy </p> </li> <li> <p>PotEng: potential energy</p> </li> <li> <p>KinEng: kinetic energy </p> </li> <li> <p>E_pair: pair energy </p> </li> <li> <p>E_bond: bond energy </p> </li> <li> <p>E_angle: angle energy </p> </li> <li> <p>E_dihed: dihedral energy </p> </li> <li> <p>Temp: temperature</p> </li> <li> <p>Press: hydrostatic pressure</p> </li> <li> <p>Pxx: xx component of pressure tensor </p> </li> <li> <p>Pyy: yy component of pressure tensor </p> </li> <li> <p>Pzz: zz component of pressure tensor </p> </li> <li> <p>Pxy: xy component of pressure tensor</p> </li> <li> <p>Pxz: xz component of pressure tensor</p> </li> <li> <p>Pyz: yz component of pressure tensor</p> </li> <li> <p>Volume: volume of simulation box </p> </li> <li> <p>Lx: box length in x direction </p> </li> <li> <p>Ly: box length in y direction </p> </li> <li> <p>Lz: box length in z direction </p> </li> <li> <p>Density: density </p> </li> <li> <p>c_RG: radius of gyration scalar </p> </li> <li> <p>c_RG[1]: squared radius of gyration tensor (xx component) </p> </li> <li> <p>c_RG[2]: squared radius of gyration tensor (yy component) </p> </li> <li> <p>c_RG[3]: squared radius of gyration tensor (zz component) </p> </li> <li> <p>c_RG[4]: squared radius of gyration tensor (xy component) </p> </li> <li> <p>c_RG[5]: squared radius of gyration tensor (xz component) </p> </li> <li> <p>c_RG[6]: squared radius of gyration tensor (yz component) </p> </li> <li> <p>c_bondave[1]: bond energy averaged over all atoms </p> </li> <li> <p>c_bondave[2]: bond distance averaged over all atoms </p> </li> <li> <p>c_bondave[3]: squared bond distance averaged over all atoms </p> </li> <li> <p>c_angleave[1]: angle energy averaged over all atoms </p> </li> <li> <p>c_angleave[2]: angle averaged over all atoms degree</p> </li> <li> <p>c_angleave[3]: cosine of angle </p> </li> <li> <p>c_angleave[4]: squared cosine of angle </p> </li> <li> <p>c_MSD[1]: mean squared displacement x-direction </p> </li> <li> <p>c_MSD[2]: mean squared displacement y-direction </p> </li> <li> <p>c_MSD[3]: mean squared displacement z-direction </p> </li> <li> <p>c_MSD[4]: total mean squared displacement </p> </li> <li> <p>c_COM[1]: x coordinate of center of mass </p> </li> <li> <p>c_COM[2]: y coordinate of center of mass </p> </li> <li> <p>c_COM[3]: z coordinate of center of mass </p> </li> <li> <p>v_strain_xx: xx component of engineering strain tensor </p> </li> <li> <p>v_strain_yy: yy component of engineering strain tensor </p> </li> <li> <p>v_strain_zz: zz component of engineering strain tensor </p> </li> <li> <p>v_vMisesequivstress: von Mises equivalent stress </p> </li> <li> <p>v_Cauchy_xx: xx component of stress tensor </p> </li> <li> <p>v_Cauchy_yy: yy component of stress tensor</p> </li> <li> <p>v_Cauchy_zz: zz component of stress tensor</p> </li> <li> <p>v_Cauchy_xy: xy component of stress tensor </p> </li> <li> <p>v_Cauchy_xz: xz component of stress tensor </p> </li> <li> <p>v_Cauchy_yz: yz component of stress tensor </p> </li> <li> <p>v_strain_xy: xy component of engineering strain tensor </p> </li> <li> <p>v_strain_xz: xz component of engineering strain tensor </p> </li> <li> <p>v_strain_yz: yz component of engineering strain tensor </p> </li> </ul> <p><br> </p> <p><strong>References</strong>:</p> <p>[1] M. Ries, J. Seibert, P. Steinmann, S. Pfaller. “Applying a generic and fast coarse-grained molecular dynamics model to extensively study the mechanical behavior of polymer nanocomposites”, <em>Express Polymer Letters</em>, <strong>2022</strong>, 16.</p> <p>[2] S. Plimpton, “Fast parallel algorithms for short-range molecular dynamics,” <em>Journal of computational physics</em>, <strong>1995</strong>, 117, 1-19.</p> <p>[3] A. P. Thompson et al., “LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales,” <em>Computer Physics Communications</em>, vol. 271, p. 108171, <strong>2022</strong>.</p> <p>[4] M. Ries, V. Dötschel, J. Seibert, S. Pfaller. “A self-avoiding random walk algorithm (SARW) for generic thermoplastic polymers and nanocomposites”, <em>Zenodo</em>, 2022. <a href="https://doi.org/10.5281/zenodo.6245699">https://doi.org/10.5281/zenodo.6245699</a></p>
Soil information on a regional scale: Two machine learning based approaches for predicting saturated hydraulic conductivity
<p><strong>Version 1.0 - This version is the final revised one.</strong></p> <p>This is the dataset accompanying the paper: Zeitfogel et al., Soil information on a regional scale: Two machine learning based approaches for predicting saturated hydraulic conductivity, published at Geoderma, 2023 (https://doi.org/10.1016/j.geoderma.2023.116418).</p> <p>Soil property and Ksat maps for Austria. The digital soil maps were generated based on a Machine Learning and PTF-based approach (indirect approach) and a pure Machine Learning based approach (direct approach). By downloading the datasets, you agree that we nor the provider of the used source datasets cannot be liable for the data provided.</p> <p>This study was funded by the Austrian Federal Ministry of Agriculture, Regions and Tourism (Project InfCapAT), the Austrian Academy of Science (Project RechAUT) and the Austrian Science Fund project P 31213.</p> <p> </p>
Supplementary information for the paper about foreign authors in russian journals (2000-2021, ca 600 journals)
<p>This is a supplementary dataset for the article about foreign authors in Russian Scopus-indexed journals (in Russian). It contains publication and citation data for countries, journals, country clusters, subject areas and topics</p> <p>Based on the set of ca.90000 papers with strictly foreign affiliations (without Russian affiliations) in ca 600 journals for 2000-2021</p>
Numerosity estimation benefits from transsaccadic information integration
<p>Dataset from the following publication:</p> <p>Hübner, C., & Schütz, A. C. (2017). Numerosity estimation benefits from transsaccadic information integration. Journal<br> of Vision, 17(13):12, 1–16, doi:10.1167/17.13.12.</p>
Figure 3. Combination of Neural and Symbolic Information Processing Strategies
<p>The second model developed is a model for human-like machine perception based on<br> research findings in neuroscience and neuro-psychology. The principal idea of the model is to use<br> so-called neuro-symbols as basic processing units. This concept is inspired by the fact that the brain is made up of neurons but we think in term of symbols. In analogy to the brain, starting from sensor<br> values, the sensory information is combined and condensed in a modular hierarchical manner to<br> more and more complex neuro-symbolic information until this results in a complete, unitary,<br> multimodal perception of the environment (see figure 3).</p>
Figure 3. Activated change-Definition of Information
<p>A typical example of this kind is an electric light activated by an electrical button or lever<br> when someone (something) switches it on and the electrical bulb lights up. The sequence of actions<br> includes following four activities:<br> • external force presses the button;<br> • the button closes the electrical circuit thereby unlocking the energy source;<br> • electricity flows to the bulb;<br> • bulb lights up.<br> The general graphical schema of this change is as follows (Figure 3).</p>
Figure 2. Forced change-Definition of Information
<p>The second basic kind of causal relation consists of changes that occur as a result of<br> externally working forces. According to Britannica force is “any action that tends to maintain or<br> alter the motion of a body or to distort it” [“Force”, in: Britannica 2009].<br> The mechanism of this change is simple: the influence of a force alters the affected object or its<br> movement: A cosmic body changes its orbit due to the influence of gravity produced by some<br> external entity. A bullet accelerates because of the powder explosion in the cartridge; glass breaks<br> when it falls to the floor etc. This form of causal mechanism is called forced change here.<br> Forced changes represent the simplest form of a causal relation between two objects, first of which<br> ― a causal action of force ― delivers energy causing the effectual change of a stable object. Forced<br> change is represented as follows (Figure 2).</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.