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451 results for “Elasticity”
Characterization of the material behavior and identification of effective elastic moduli based on molecular dynamics simulations of coarse-grained silica: dataset
<p><strong>Abstract</strong>:<br> (from [1])</p> <blockquote> <p>The addition of fillers can significantly improve the mechanical behavior of polymers. The responsible mechanisms at the molecular level can be well assessed<br> by particle-based simulation techniques, such as molecular dynamics. However, the high computational cost of these simulations prevents the study of macroscopic<br> samples. Continuum-based approaches, particularly micromechanics, offer a more efficient alternative but require precise constitutive models for all<br> constituents, which are usually unavailable at these small length scales. In this contribution, we derive a molecular-dynamics-informed constitutive law by<br> employing a characterization strategy introduced in a previous publication. We choose silicon dioxide (silica) as an exemplary filler material used in polymer<br> composites and perform uniaxial and shear deformation tests with molecular dynamics. The material exhibits elastoplastic behavior with a pronounced anisotropy.<br> Based on the pseudo-experimental data, we calibrate an anisotropic elastic constitutive law and reproduce the material response for small strains accurately. <br> The study validates the characterization strategy that facilitates the calibration of constitutive laws from molecular dynamics simulations. Furthermore, the<br> obtained material model for coarse-grained silica forms the basis for future continuum-based investigations of polymer nanocomposites. In general, the presented<br> transition from a fine-scale particle model to a coarse and computationally efficient continuum description adds to the body of knowledge of molecular science<br> as well as the engineering community.<br> </p> </blockquote> <p><br> <strong>Contact</strong>:<br> Maximilian Ries<br> Institute of Applied Mechanics<br> Friedrich-Alexander-Universität Erlangen-Nürnberg<br> Egerlandstr. 5<br> 91058 Erlangen</p> <p><br> <strong>Software</strong>:<br> All simulations were performed with LAMMPS [3], version: 29 Oct 2020 / 20201029<br> 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<br> Active compile time flags:<br> -DLAMMPS_GZIP<br> -DLAMMPS_SMALLBIG</p> <p><strong>Installed packages:</strong><br> CLASS2, KSPACE, MANYBODY, MC, MOLECULE, MPIIO, OPT, VORONOI, USER-INTEL, USER-MISC, USER-MOLFILE, USER-NETCD</p> <p><br> <strong>License:</strong><br> Creative Commons Attribution 4.0 International<br> <br> <strong>Context</strong>:<br> Data set supplementing journal paper:<br> [1] Ries, M.; Bauer, C.; Weber, F.; Steinmann, P. & Pfaller, S., "Characterization of the material behavior and identification of effective elastic moduli based on molecular dynamics simulations of coarse-grained silica", Mathematics and Mechanics of Solids, 2022, 108128652211080.</p> <p><br> This dataset contains the results presented in [1] and the necessary data to obtain those.</p> <p><br> <strong>Content</strong>:<br> The files to reproduce our simulations and their results are structured as follows:</p> <ul> <li>01_potentials<br> tabulated potentials calibrated via iterative Boltzmann inversion in [2] kindly provided by the Müller-Plathe group at Technische Universität Darmstadt <ul> <li>Angle_table<br> angular interactions</li> <li>Bond_table<br> bond interactions</li> <li>Nonbond_table<br> pair interactions</li> </ul> </li> <li>02_sample<br> Lammps data file (molecular style) of the investigated silica sample</li> <li>03_simulations<br> The condensed simulation directories with the naming convention given below are organized in the following subfolders: <ul> <li>01_time-proportional<br> time-proportional simulation data</li> <li>02_time-periodic<br> time-periodic simulation data</li> </ul> </li> </ul> <p>Each simulation directory contains:</p> <ul> <li>lammps input file (*.in) of the specific simulation</li> <li>input.prm: input parameters of the specific simulation (read by the input file)</li> <li>meta.info: meta data of the specific simulation run</li> <li>LAMMPS_out:<br> simulation results (lammps thermo_out) in tabulated form, an overview of columns is given below <ul> <li>thermo_out.Dat: raw output</li> <li>thermo_out_SG.Dat: smoothed output (Savitzky-Golay filter)</li> <li>thermo_out_STD.Dat: standard deviation of raw output</li> </ul> </li> </ul> <p><br> <strong>Naming convention</strong>:<br> Silica-[deformation]-[direction]_[deformation function]-[deformation magnitude]_[deformation rate]<br> ● [deformation]: uniaxial tension (UT), simple shear (SS)<br> ● [direction]: deformation carried out in X/Y/Z (UT) or XY/XZ/YZ (SS)<br> ● [deformation function]: time-proportional (strain), time-periodic (strain_ampl)<br> ● [deformation magnitude]: maximum strain (time-proportional), strain amplitude (time-periodic); unitless<br> ● [deformation rate]: rate-[strain rate] (only time-proportional): 0.001/ns-0.1/ns</p> <p><br> <strong>Output quantities</strong> (columns of *.Dat files):<br> ● Step: time step<br> ● Time: time in fs<br> ● TotEng: total energy in kcal/mol<br> ● PotEng: potential energy in kcal/mol<br> ● KinEng: kinetic energy in kcal/mol<br> ● E_pair: pair energy in kcal/mol<br> ● E_bond: bond energy in kcal/mol<br> ● E_angle: angle energy in kcal/mol<br> ● E_dihed: dihedral energy in kcal/mol<br> ● Temp: temperature in K<br> ● Press: hydrostatic pressure in atm<br> ● Pxx: xx component of pressure tensor in atm<br> ● Pyy: yy component of pressure tensor in atm<br> ● Pzz: zz component of pressure tensor in atm<br> ● Pxy: xy component of pressure tensor in atm<br> ● Pxz: xz component of pressure tensor in atm<br> ● Pyz: yz component of pressure tensor in atm<br> ● Volume: volume of simulation box in (Angstroms)^3<br> ● Lx: box length in x direction in Angstroms<br> ● Ly: box length in y direction in Angstroms<br> ● Lz: box length in z direction in Angstroms<br> ● Density: density in g/(cm^3)<br> ● c_RG: radius of gyration in Angstroms<br> ● c_RG[1]: squared radius of gyration tensor (xx component) in (Angstroms)^2<br> ● c_RG[2]: squared radius of gyration tensor (yy component) in (Angstroms)^2<br> ● c_RG[3]: squared radius of gyration tensor (zz component) in (Angstroms)^2<br> ● c_RG[4]: squared radius of gyration tensor (xy component) in (Angstroms)^2<br> ● c_RG[5]: squared radius of gyration tensor (xz component) in (Angstroms)^2<br> ● c_RG[6]: squared radius of gyration tensor (yz component) in (Angstroms)^2<br> ● c_bondave[1]: bond energy averaged over all atoms in kcal/mol<br> ● c_bondave[2]: bond distance averaged over all atoms in Angstroms<br> ● c_bondave[3]: squared bond distance averaged over all atoms in (Angstroms)^2<br> ● c_angleave[1]: angle energy averaged over all atoms in kcal/mol<br> ● c_angleave[2]: angle averaged over all atoms degree<br> ● c_angleave[3]: cosine of angle (unitless)<br> ● c_angleave[4]: squared cosine of angle (unitless)<br> ● c_MSD[1]: mean squared displacement x-direction in (Angstroms)^2<br> ● c_MSD[2]: mean squared displacement y-direction in (Angstroms)^2<br> ● c_MSD[3]: mean squared displacement z-direction in (Angstroms)^2<br> ● c_MSD[4]: total mean squared displacement in (Angstroms)^2<br> ● c_COM[1]: x coordinate of center of mass in Angstroms<br> ● c_COM[2]: y coordinate of center of mass in Angstroms<br> ● c_COM[3]: z coordinate of center of mass in Angstroms<br> ● v_strain_xx: xx component of engineering strain tensor (unitless) <br> ● v_strain_yy: yy component of engineering strain tensor (unitless) <br> ● v_strain_zz: zz component of engineering strain tensor (unitless) <br> ● v_vMisesequivstress: von Mises equivalent stress in MPa<br> ● v_Cauchy_xx: xx component of stress tensor in MPa <br> ● v_Cauchy_yy: yy component of stress tensor in MPa<br> ● v_Cauchy_zz: zz component of stress tensor in MPa<br> ● v_Cauchy_xy: xy component of stress tensor in MPa<br> ● v_Cauchy_xz: xz component of stress tensor in MPa<br> ● v_Cauchy_yz: yz component of stress tensor in MPa<br> ● v_strain_xy: xy component of engineering strain tensor (unitless) <br> ● v_strain_xz: xz component of engineering strain tensor (unitless) <br> ● v_strain_yz: yz component of engineering strain tensor (unitless) </p> <p><strong>References</strong>:<br> [1] Ries, M.; Bauer, C.; Weber, F.; Steinmann, P. & Pfaller, S., "Characterization of the material behavior and identification of effective elastic moduli based on molecular dynamics simulations of coarse-grained silica", Mathematics and Mechanics of Solids, 2022, 108128652211080.<br> [2] Ghanbari, A.; Ndoro, T. V. M.; Leroy, F.; Rahimi, M.; Böhm, M. C. & Müller-Plathe, F., “Interphase Structure in Silica-Polystyrene<br> Nanocomposites: A Coarse-Grained Molecular Dynamics Study”, Macromolecules, 2012, 45, 572-584.<br> [3] Plimpton, S., “Fast parallel algorithms for short-range molecular dynamics,” Journal of computational physics, 1995, 117, 1-19.</p> <p> </p>
Dataset for "Correlation between sonic pulse velocity and flat-jack tests for the estimation of the elastic properties of unreinforced brick masonry"
<p>This repository contains data from the sonic test experimental campaign carried out in eight structures at various location in Croatia.</p> <p>The data set is structured in 3 levels of folders:</p> <p>- At first level, the 8 folders correspond to the 8 tested buildings.</p> <p>- At second level, for each building, each folder corresponds to a different test location within the building, e.g. "Data FJ1".</p> <p>- At third level, for each location, each folder corresponds to a different setup (i.e. distance and location of hammer and accelerometer), , e.g. "FJ1 1-2".</p> <p>Sonic data are presented in .txt files in three columns corresponding to the time, the hammer (emitter) and the accelerometer (receptor), respectively.</p> <p>Please cite the following related publication:</p> <p>Ortega J, Stepinac M, Lulic L, Nuñez Garcia M, Saloustros S, Aranha C, Greco F, Correlation between sonic pulse velocity and flat-jack tests for the estimation of the elastic properties of unreinforced brick masonry, under review (2022)</p>
Datasets of DFT adsorption energies of H and for O and OH on different pure metals and binary intermetallic compounds considering the application of elastic strains and lists of candidates for screening
<p>This resource contains two datasets and two lists of candidates for screening in JSON format. Also It contains ZIP folders with all Quantum Espresso Inputs and outputs from which the JSON datasets were obtained. All Quantum Espresso outputs will be later added to Catalysis Hub (https://www.catalysis-hub.org/). The file "QuantumEspresso_versions" is a text file contaning the information of the Quantum Espresso versions employed for obtaining the dataset.</p> <p>The datasets contain the adsorption energies for surface slabs of a large number of binary intermetallic compounds with different compositions and lattices (for instance, A3B fcc, A3B hpc, AB bcc, etc.). Adsorption energies were computed for different adsorbates (H, O, and OH) on distinct adsorption sites (e.g., fcc AAB, fcc AAA, hcp AAA, hcp AAB, on-top A, and on-top B) and minimum energy surfaces. In addition, different elastic strains (biaxial tension, biaxial compression) were applied to assess their effect on adsorption energies. All calculations were carried out using DFT approximations as implemented in the Open-source software Quantum Espresso. Besides the adsorption energies, the datasets also contain relevant geometric and electronic descriptors (PSI, cell volume, weighted atomic radius, generalized coordination number, weighted electronegativity, weighted first ionization energy, outer electrons, and biaxial strain) calculated to feed them as features in the training of ML models. The datasets with the tag "scaled" on its name have the descriptors scaled following a MinMax scaling and are given in xlsx format.</p> <p>The lists for screening contain candidates not included in the dataset for which Random Forest predictions of the Eads were obtained. The lists contain the geometric and electronic descriptors of all screening candidates, as well as the predicted adsorption energy (Eads_RF).</p> <p>A GitHub repository is linked to this dataset (https://github.com/vvassilevg/HighHydrogenML). The repository contains two Python scripts:</p> <p>1) Script for creating a dataset from QuantumEspresso outputs, where all relevant descriptors are computed. It outputs a pickle and json files that can be later converted to any other desired format (like xlsx).</p> <p>2) Script for training a Random Forest model for the prediction of adsorption energies (the datasets with the "scaled" tag must be used for the script to work correctly).</p> <p> </p> <p>The dataset, ML model and screening have been accepted for publication in Catalysis Science & Technology DOI: DOI:<a title="Link to landing page via DOI" href="https://doi.org/10.1039/D4CY00491D">10.1039/D4CY00491D</a>. The accepted Manuscript and the Supplementary information are avilable within this repository.</p> <p> </p> <p>If you use this dataset or any of the files within this repository, please cite the original publication (<a title="Link to landing page via DOI" href="https://doi.org/10.1039/D4CY00491D">10.1039/D4CY00491D)</a> in your work.</p>
Elastic electron scattering cross sections of ethanol in the energy range 30 eV to 800 eV: Differential (DCS), Integral (ICS) and Momentum Transfer Cross Sections (MTCS)
<h3>Cross section datasets on the elastic electron scattering of ethanol from our publication Eur. Phys. J. D 77, 52 (2023)</h3> <p>The elastic differential cross sections (DCS) are given in the energy range 30-800 eV in the full angular range: 30°-150° experimental, 0°-25° and 155°-180° extrapolated experimental data using the IAM-SCAR+I model.</p> <p>The integral elastic (ICS) and momentum transfer cross sections (MTCS) are given for energies 60-800 eV.</p> <p>Additional information can be found in the README.txt or the publication.</p>
Differential elastic and ionization cross sections of electron - N2O scattering in the energy range 30 - 800 eV
<h2>Datasets on the electron- elastic and electron-impact ionization cross sections of N2O</h2> <h3>Elastic Cross Sections</h3> <p>Elastic differential (DCS) as well as integral (ICS) and momentum transfer (MTCS) cross sections are given in the energy range 30-800eV and angular range 20°-150° (experimental), 0°-20° and 155°-180° (extrapolated experimental data using the IAM-SCAR+I model)</p> <h3>Ionization Cross Sections</h3> <p>Doubly differential electron-impact ionization cross sections (DDCS) are given for primary energies T=30-800 eV and secondary energies up to (T-I)/2, where I is the ionization threshold. The angular range of the measurements is 30°-150°.</p> <p>The singly differential cross sections (SDCS) and total ionization cross sections (TICS) were numerically integrated from the DDCS.</p> <p> </p> <p>Additional Information can be found in the README.</p>
Mowgli: DBMS Elasticity Evaluation Data Sets
<p>These data sets contain the complete DBMS evaluation data created by the <a href="https://omi-gitlab.e-technik.uni-ulm.de/mowgli/getting-started">Mowgli</a> framework for the <em>calibration</em> and <em>elasticity</em> phases.</p> <p><em>Calibration phase:</em> performance/latency metrics for growing workload intensities issued against a fixed three node DBMS cluster.</p> <p><em>Elasticity phase:</em> performance/latency metrics during an elastic scale-out adaptation (i.e. adding one additional DBMS node to the cluster at runtime) for different workload intensities.</p>
GTEx v8 Elastic Net prediction models
<p>Elastic Net prediction models and LD reference (PrediXcan/MultiXcan support, individual-level or summary-level versions)</p> <p># Data usage policy</p> <p>When using this data, you must acknowledge the source by citing the publication "Widespread dose-dependent effects of RNA expression and splicing on complex diseases and traits" (https://doi.org/10.1101/814350).</p> <p> </p> <p># Disclaimer</p> <p>The data is provided "as is", and the authors assume no responsibility for errors or omissions. <br> The User assumes the entire risk associated with its use of these data. <br> The authors shall not be held liable for any use or misuse of the data described and/or contained herein. <br> The User bears all responsibility in determining whether these data are fit for the User's intended use. </p> <p>The information contained in these data is not better than the original sources from which they were derived,<br> and both scale and accuracy may vary across the data set. <br> These data may not have the accuracy, resolution, completeness, timeliness, or other characteristics<br> appropriate for applications that potential users of the data may contemplate. <br> <br> The user is responsible to comply with any data usage policy from the original GWAS studies;<br> refer to the list of traits described [here](https://www.biorxiv.org/content/10.1101/814350v1)<br> to identify their respective Consortia's requirements.</p> <p><br> THE DATA IS PROVIDED WITHOUT WARRANTY OF ANY KIND,<br> EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,<br> FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT.<br> IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY,<br> WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,<br> OUT OF OR IN CONNECTION WITH THE DATA OR THE USE OR OTHER DEALINGS IN THE DATA.</p>
Maximized response by structural optimization of soft elastic composite systems
<p>This dataset contains the underlying data and numerical optimization codes for the paper</p> <p><em>L. Fischer and Andreas M. Menzel</em><br>Maximized response by structural optimization of soft elastic composite systems<br>PNAS Nexus <strong>3</strong>, <span>pgae353 </span>(2024) (DOI: <a href="https://doi.org/10.1093/pnasnexus/pgae353" target="_blank" rel="noopener">10.1093/pnasnexus/pgae353</a>).</p> <p>For more information, please see the included "Readme.txt" in the dataset "Zenodo.zip".</p>
Training data set for: Graph Neural Network based elastic deformation emulators for magmatic reservoirs of complex geometries
<h2>Overview</h2> <p>This is a synthetic volcano deformation dataset accompanying the publication of <em><strong>Graph Neural Network based elastic deformation emulators for magmatic reservoirs of complex geometries</strong></em>,<em><strong> </strong></em>on the journal <em>Volcanica</em>. Synthetic, quasi-static deformation is computed for magma chambers of various geometries, parameterized as spheroids or superpositions of spherical harmonics. Surface deformation is computed using the boundary element method (BEM) of Nikkhoo & Walter (2015). Please reference our paper for details of computational methods.</p> <p>The dataset contains 50,000 realizations of magma chamber geometries/orientations/centroid depths and associated deformation fields. Surface deformation fields are sampled at discrete locations, with a uniform random distribution within [Lh x Lh], and a distribution that concentrates near the chamber (at radial distances, r = 10^(-3 <em> random number) * </em>Lh/2). Note this dataset contains only a small fraction of the total dataset. In total, 824,393 realizations of magma chambers were used to train our emulators. For accessing the complete training data set, please contact the authors. </p> <p>Each .mat file contains the deformation field associated with a single chamber geometry. Use visData.m to visualize chamber geometry and associated surface displacement. Each file contains two MATLAB structures, "input" and "output". </p> <h2>Naming of each zip file</h2> <p>The numbers after the underscore, N:M, indicate that this file contains N of the M total chamber realizations for this particular setup. </p> <p><a href="../api/records/13800065/draft/files/sph_20AspRatios_1e4:151211.zip.zip/content" target="_blank" rel="noopener noreferrer">sph_20AspRatios_1e4:151211.zip</a>: deformation corresponding to spheroidal magma chambers parameterized by aspect ratios. </p> <p><a href="../api/records/13800065/draft/files/sh_complex_1e4:152283.zip/content" target="_blank" rel="noopener noreferrer">sh_complex_1e4:152283.zip</a>: deformation corresponding to chamber geometry produced by superposition of spherical harmonic modes. </p> <p><a href="../api/records/13800065/draft/files/sh_mode_approx_1e4:138380.zip/content" target="_blank" rel="noopener noreferrer">sh_mode_approx_1e4:138380.zip</a>: deformation corresponding to chamber geometries corresponding to individual spherical harmonic modes, combined with a spherical mode (the spherical mode prevents chamber surfaces from having zero radii locally)</p> <p><a href="../api/records/13800065/draft/files/sh_spheroid_approx1e4:202272.zip/content" target="_blank" rel="noopener noreferrer">sh_spheroid_approx1e4:202272.zip</a>: deformation corresponding to chambers approximating spheroids, but parameterized by spherical harmonics.</p> <p><a href="../api/records/13800065/draft/files/sh_spheroid_perturb_1e4:180247.zip/content" target="_blank" rel="noopener noreferrer">sh_spheroid_perturb_1e4:180247.zip</a>: same as above, but with additional random perturbations parameterized in spherical harmonics.</p> <h2>Variables in each file</h2> <p><strong>Input</strong> contains the following fields:</p> <p><strong>dp2mu</strong>: pressure change to shear modulus ratio.</p> <p><strong>dx</strong>, <strong>dy</strong>, <strong>dz</strong>: the coordinates of chamber centroid [meters]</p> <p><strong>mu: </strong>dimensionless crustal shear modulus (always set to 1)</p> <p><strong>nu</strong>: crustal Poisson's ratio (always set to 0.25)</p> <p><strong>Ns</strong>: number of points on the surface where displacements are computed</p> <p><strong>Lh</strong>, <strong>Lv</strong>: horizontal and vertical dimensions of the model domain [meters]. Lh is determined such that at the edge of the model domain, the displacement magnitude is below 10 percent of the maximum. Lv = Lh/2 + abs(dz)</p> <p>for the spheroids -----------------------------------------------------------------------------------------------------------</p> <p>the input files contain</p> <p><strong>asp</strong>: aspect ratio of chamber (length of the semi-major axis divided by that of the semi-minor axis)</p> <p><strong>ra</strong>, <strong>rb</strong>: semi-major, -minor, axis length [meters]</p> <p><strong>thetax</strong>, <strong>thetay</strong>, <strong>thetaz</strong>: counterclockwise rotation angles with regard to x, y, z axis [degrees]. thetax = [0, 90] degrees, thetay = 0 degrees, thetaz = 360 degrees.</p> <p>for the general geometries--------------------------------------------------------------------------------------------------</p> <p>the input files contain</p> <p><strong>ls</strong>, <strong>ms</strong>, <strong>fs</strong>: degree, order, coefficients of spherical harmonic modes. Spherical harmonics are sampled up to degree 5. fs is a complex vector of coefficients such that the resulting shape is real. </p> <p><strong>normF</strong>: normalization factor applied to the shape parameterized by ls, ms, fs, such that the shape as a maximum radius of unity.</p> <p><strong>rmax</strong>: scale factor to scale the spherical harmonics parameterized shape to real dimensions [meters].</p> <p>=============================================================================================</p> <p>Output contains the following fields,</p> <p><strong>X</strong>, <strong>Y</strong>, <strong>Z</strong>: coordinates of points where displacement vectors are computed [meters]</p> <p><strong>Ux</strong>, <strong>Uy</strong>, <strong>Uz</strong>: displacements in x, y, z directions [meters]</p> <p><strong>P</strong>, <strong>T</strong>: coordinates [meters] of vertices for the triangular mesh used in BEM calculation, and the connectivity matrix </p> <p><strong>C</strong>: coordinates [meters] of the center of each triangular element</p> <p><strong>that</strong>, <strong>dhat</strong>, <strong>nhat</strong>: unit vectors for orthogonal coordinate systems local to each triangular element. that ("t-hat") extends from vertex one to vertex two, nhat is outward normal, and dhat = cross (nhat, that).</p> <p>Reference:</p> <p>1. Nikkhoo, M., & Walter, T. R. (2015). Triangular dislocation: an analytical, artefact-free solution. <em>Geophysical Journal International</em>, <em>201</em>(2), 1119-1141.</p>
The surface deformation induced by thermal expansion of bedrock, based on the the uniform elastic sphere model
<p>The surface deformation induced by thermal expansion of bedrock(TEB), based on the the uniform elastic sphere model in the manuscript submitted to JGR: Solid Earth, including:</p> <p>1. Input data of TEB model:</p> <p><strong>Spherical harmonics coefficients of land surface temperature:</strong> Cosine terms (detrended); Sine terms (detrended) </p> <p>(The coefficients are based on temperature data provided by Physical Sciences Laboratory (PSL) of the National Oceanic and Atmospheric Administration; <u>https://psl.noaa.gov/data/gridded/data.cpc.globaltemp.html</u>)</p> <p>2. Output data of TEB model: </p> <p><strong>The 3-dimensional TEB displacements </strong> <strong>on the 0.5</strong><strong>°×</strong><strong>0.5</strong><strong>°</strong><strong>global grid:</strong> annual variations of East, North, Up components</p>
Tunable photo-responsive elastic metamaterials
<p>Supplementary information for</p> <p>Gliozzi, A.S., Miniaci, M., Chiappone, A. <em>et al.</em> Tunable photo-responsive elastic metamaterials. <em>Nat Commun</em> <strong>11, </strong>2576 (2020). https://doi.org/10.1038/s41467-020-16272-y</p> <p>and raw data for Fig. 3 therein. Each file contains data for the spectra corresponding to each different temperature.</p> <p>The file has a suffix XXC, where XX indicates the temperature of the climate chamber in decrees C. Data are organized in two columns: the first is frequency in kHz, the second is FFT magnitude in dB</p> <p>The Video file 'represents the evolution of the transmission spectrum under illumination (data reltive to Fig. 2c in the main text), with 1 spectrum per second. At t=100s the sample is illuminated (first pillar) until t=360s. Then the spectrum reverts to the initial one</p>
Text-fig. 6. a. Vertical section showing part of body-chamber of a Cenoceras in the top of the Main Cenoceras Bed associated with attached oysters below and stringers of crinoid debris below and stretching laterally. Coin 23 mm in diameter. b. Complete lateral half of conch showing intact and elastically deformed septa on which rests crinoid debris that spreads across the exposed septa and onto the adjacent substrate. Conch approximately 180 mm in diameter. c. Individual showing dispersed crinoid and molluscan debris within body-chamber and septa in the crushed inner whorls that have taken a sparite cement prior to, and after having undergone brittle deformation. 160 mm in diameter. d. Vertically embedded specimen showing the loss of septa in the inner whorls that are infilled with matrix mottled by bioturbation. Tape measure provides scale. in 'Cenoceras Islands' In The Blue Lias Formation (Lower Jurassic) Of West Somerset, Uk: Nautilid Dominance And Influence On Benthic Faunas
Text-fig. 6. a. Vertical section showing part of body-chamber of a Cenoceras in the top of the Main Cenoceras Bed associated with attached oysters below and stringers of crinoid debris below and stretching laterally. Coin 23 mm in diameter. b. Complete lateral half of conch showing intact and elastically deformed septa on which rests crinoid debris that spreads across the exposed septa and onto the adjacent substrate. Conch approximately 180 mm in diameter. c. Individual showing dispersed crinoid and molluscan debris within body-chamber and septa in the crushed inner whorls that have taken a sparite cement prior to, and after having undergone brittle deformation. 160 mm in diameter. d. Vertically embedded specimen showing the loss of septa in the inner whorls that are infilled with matrix mottled by bioturbation. Tape measure provides scale.
Source Data for "Phosphorescent extensophores expose elastic nonuniformity in polymer networks"
<p>This source data is for the manuscript "Phosphorescent extensophores expose elastic nonuniformity in polymer networks".</p>
Developing elastic mechanisms: Ultrafast motion and cavitation emerge at the millimeter scale in juvenile snapping shrimp
<p>Organisms such as jumping froghopper insects and punching mantis shrimp use spring-based propulsion to achieve fast motion. Studies of elastic mechanisms primarily focus on fully developed and functional mechanisms in adult organisms. However, the ontogeny and development of these mechanisms can provide important insights into lower size limits of spring-based propulsion, the ecological or behavioral relevance of ultrafast movement, and the scaling of ultrafast movement. Here we examine the development of the spring-latch mechanism in the big claw snapping shrimp, <em>Alpheus</em> <em>heterochaelis</em> (Alpheidae). Adult snapping shrimp use an enlarged claw to produce high-speed strikes that generate cavitation bubbles. However, until now, it was unclear when the elastic mechanism emerges during development and whether juvenile snapping shrimp can generate cavitation at this size. We reared <em>A</em>. <em>heterochaelis</em> from eggs, through their larval and postlarval stages. Starting one month after hatching, the snapping shrimp snapping claw gradually developed a spring-actuated mechanism and began snapping. We used high-speed videography (300,000 frames s<sup>-1</sup>) to measure juvenile snaps. We discovered that juvenile snapping shrimp generate the highest recorded accelerations (5.8x10<sup>5</sup> ± 3.3x10<sup>5</sup> m s<sup>-2</sup>) for repeated use and underwater motion and are capable of producing cavitation at the millimeter scale. The angular velocity of snaps did not change as juveniles grew; however, juvenile snapping shrimp with larger claws produced faster linear speeds and generated larger, longer-lasting cavitation bubbles. These findings establish the development of the elastic mechanism and cavitation in snapping shrimp and provide insights into early life-history transitions in spring-actuated mechanisms.</p>
Data of "Bayesian inference of high-dimensional finite-strain visco-elastic-visco-plastic model parameters for additive manufactured polymers and neural network based material parameters generator"
<p><strong>General</strong></p> <p>Data of <a href="http://doi.org/10.1016/j.ijsolstr.2023.112470">https://doi.org/10.1016/j.ijsolstr.2023.112470</a> related to MOAMMM project.</p> <p>Data related to the publication (we would be grateful if you could cite the paper in the case in which you are using the data):</p> <p>title = "Bayesian inference of high-dimensional finite-strain visco-elastic-visco-plastic model parameters for additive manufactured polymers and neural network based material parameters generator.",<br> journal = "International Journal of Solids and Structures",<br> year = "2023",<br> volume = "283",<br> pages = "112470",<br> doi = "10.1016/j.ijsolstr.2023.112470",<br> author = "Ling Wu, Cyrielle Anglade, Lucia Cobian, Miguel Monclus, Javier Segurado, Fatma Karayagiz, Ubiratan Freitas, and Ludovic Noels"</p> <p>This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 862015. Views and opinions expressed are however those of the author(s) only and do not necessarily reflect those of the European Union. Neither the European Union nor the granting authority can be held responsible for them.</p> <p><strong>Description</strong></p> <p>BI code and results of the inference of a pressure-dependent visco-elastic visco-plastic model developed in [NGU16] with a umat implementation in <a href="https://gitlab.uliege.be/moammm/moammmPublic/code/-/tree/main/MaterialModels/FiniteStrain/Finite_VEVP">https://gitlab.uliege.be/moammm/moammmPublic/code/-/tree/main/MaterialModels/FiniteStrain/Finite_VEVP</a>. The BI is described in [WU23] .The experimental results used in the BI are reported in [COB22,COB22b]. To run the BI you need the open source code <a href="https://gitlab.onelab.info/cm3/cm3Libraries">https://gitlab.onelab.info/cm3/cm3Libraries</a> If you use these data or model, we would be grateful if you could cite the related papers.</p> <p><strong>Bibliography</strong></p> <ul> <li>[WU23] L. Wu, C. Anglade, L. Cobian, M. Monclus, J. Segurado, F. Karayagiz, U. Santos Freitas, L. Noels, Bayesian inference of high-dimensional finite-strain visco-elastic-visco-plastic model parameters for additive manufactured polymers and neural network based material parameters generator, International Journal of Solids and Structures (2023) 112470: https://doi.org/10.1016/j.ijsolstr.2023.112470</li> <li>[COB22] L. Cobian, M. Rueda-Ruiz, J.P. Fernandez-Blazquez, V. Martinez, F. Galvez, F. Karayagiz, T. Lück, J. Segurado, M.A. Monclus, Micromechanical characterization of the material response in a PA12-SLS fabricated lattice structure and its correlation with bulk behaviour, Polymer Testing 110 (2022) 107556: https://doi.org/10.1016/j.polymertesting.2022.107556 (in Open access)</li> <li>[COB22b] Data of “. Cobian, M. Rueda-Ruiz, J.P. Fernandez-Blazquez, V. Martinez, F. Galvez, F. Karayagiz, T. Lück, J. Segurado, M.A. Monclus, Micromechanical characterization of the material response in a PA12-SLS fabricated lattice structure and its correlation with bulk behaviour, Polymer Testing 110 (2022) 107556” http://dx.doi.org/10.5281/zenodo.6136935 (in Open access)</li> <li>[NGU16] V. D. Nguyen, F. Lani, T. Pardoen, X. Morelle, L. Noels, A large strain hyperelastic viscoelastic-viscoplastic-damage constitutive model based on a multi-mechanism non-local damage continuum for amorphous glassy polymers. International Journal of Solids and Structures 96 (2016): 192-216; https://dx.doi.org/10.1016/j.ijsolstr.2016.06.008, Open access: https://orbi.uliege.be/handle/2268/197898</li> </ul> <p><strong>Directories</strong></p> <p>All the codes and experimental results are in five directories:</p> <ol> <li>experimentalTests: experimental data, see the README.txt in each subdirectory for details</li> <li>BayesianVE: BI of the visco-elastic parameters <ol> <li>PlotExperimentalCurves: to vizualize the experimental curves and prepare the observations for the BI in the VE range <ol> <li>Loadcase_H.py and Loadcase_V.py read experimental results and create Load_ExpVE_H.dat and Load_ExpVE_V.dat, which keep the experimental observations and loading conditions to perform the BI.</li> <li>PrintDir_H & PrintDir_V subdirectories with the functions called by Loadcase_H.py and Loadcase_V.py</li> <li>Load_ExpVE_H.dat and Load_ExpVE_V.dat created files with the observations and loading conditions to perform the BI</li> </ol> </li> <li>VE_V2Step and VE_H: BI for viscoelastic properties of "V" specimen (VE_V2Step) and "H" specimen (VE_H) <ol> <li>BI_allpos_sequence.py runs the BI using Predict_VETest.py and creates the MCMC_VE_....dat</li> <li>WarmStart = True is used to restart an inference</li> <li>MCMC_VE_....dat in the VE_V2Step and VE_H directories are the BI results</li> <li>When proceeding in two steps in VE_V2Step, a first step generates MCMC_VE_VN8_1st.dat whose posterior is used as prior in the second step to generate MCMC_VE_VN8_2nd.dat</li> </ol> </li> <li>CheckBayRes: to visualize predictions of a BI sample and experimental curves <ol> <li>MCMCRes.py is used to check the numerical predictions of a BI parameter sample (read last sample by default, V or H direction can be selected at line</li> <li>ResKGEmu.py plots the evolution of elastic properties with time</li> <li>uses as input VE_V2Step/MCMC_VE_....dat or VE_H/MCMC_VE_....dat</li> <li>uses local ViscoElasticTest.py, line.geo, line. msh as interface with https://gitlab.onelab.info/cm3/cm3Libraries code</li> <li>uses local functions plotExpLoad_Unload.py, plotExp.py</li> </ol> </li> <li>ViscoElasticTest.py, line.geo, line.msh: interface with <a href="https://gitlab.onelab.info/cm3/cm3Libraries">https://gitlab.onelab.info/cm3/cm3Libraries</a> code used by VE_V2Step and VE_H to call the VEVP model</li> </ol> </li> <li>BayesianVEVP: BI of the visco-elastic and visco-plastic parameters <ol> <li>PlotExperimentalCurves: to vizualize the experimental curves and prepare the observations for the BI in the VE-VP ranges <ol> <li>Loadcase_H.py and Loadcase_V.py read experimental results and create Load_ExpVEVP_H.dat and Load_ExpVEVP_V.dat, which keep the experimental observations and loading conditions to perform BI at the viscoplastic stage.</li> <li>PrintDir_H & PrintDir_V subdirectories with the functions called by Loadcase_H.py and Loadcase_V.py</li> <li>Load_ExpVEVP_H.dat and Load_ExpVEVP_V.dat created files with the observations and loading conditions to perform the BI</li> </ol> </li> <li>VP_V2step and VP_H2step: BI for viscoelastic-viscoplastic properties of "V" specimen (VP_V2Step) and "H" specimen (VP_H2Step) <ol> <li>BI_allpos_sequence.py runs the BI using Predict_VETest.py and creates the MCMC_VP_....dat</li> <li>WarmStart = True is used to restart an inference</li> <li>It starts from the VE prosterior as prior, see point 2, and generates a MCMC_VP_?_1of2Steps.dat (? being H or V)</li> <li>Then using MCMC_VP_?_1of2Steps.dat posterior to get a new prior, it generates MCMC_VP_?_2of2Steps.dat (? being H or V)</li> </ol> </li> <li>CheckBayRes: visualize predictions of a BI sample and experimental curves <ol> <li>MCMCRes.py is used to check the numerical predictions with 3 BI parameter samples ([28000, 45000,70000] by default, V or H direction can be selected at line 12) using the samples of BayesianVEVP/VP_?2step/MCMC_VP_?_2of2Steps.dat (? being H or V)</li> <li>plot_hist.py is used to plot histograms of all the inferred parameters using the samples of BayesianVEVP/VP_?2step/MCMC_VP_?_2of2Steps.dat (? being H or V)</li> <li>Plot_Prop.py plots joints histograms of the inferred parameters using the samples of BayesianVEVP/VP_?2step/MCMC_VP_?_2of2Steps.dat (? being H or V)</li> <li>ResKGEmu.py plots the evolution of elastic properties with time</li> </ol> </li> <li>VEVPTest.py: interface with https://gitlab.onelab.info/cm3/cm3Libraries code used by VP_V2Step and VP_H2Step to call the VEVP model</li> </ol> </li> <li>RandomParametersGenerator: used to generate the parameters from the BI samples, with the same statistical content <ol> <li>Generator <ol> <li>DataProcess.py: creates normalized data for training from final inferred parameters in ../MCMC_ResData and creates ?_dirNormData (? being H or V)</li> <li>KmeanDataProcess.py: performs clustering for the data of H_dirNormDat and creates H_dirNormData_2cluster (no need for V direction because not bimodal)</li> <li>Gan_V.py and Gan_H.py are used to train the random material parameter generators and create the VDir_Gan or HDir_Gan200_0/HDir_Gan200_1</li> <li>GenerateParameters.py generates random parameters using the Gan files VDir_Gan or HDir_Gan200_0/HDir_Gan200_1 and checks the joint histograms of generated parameters, generated parameters are in V_GenData and H_GenData</li> <li>Ganlib.py is used by the generator</li> </ol> </li> <li>CheckRes <ol> <li>GenDataRes.py is used to check the numerical predictions with the generated parameter samples, see point 4) (using V_GenData and H_GenData).</li> <li>Plot_PropGen.py plots joints histograms of the generated parameters using the samples of V_GenData or H_GenData</li> </ol> </li> </ol> </li> <li>MCMC_ResData:All final data used in the paper (they can substitute the ones used here above) <ol> <li>H_direction and V_direction keep the MCMC random walk results of BI.</li> <li>RandomParameterGenerator keeps results of the generator Paper</li> </ol> </li> </ol> <p><strong>Figures of [WU23]</strong></p> <ul> <li>Fig. 5: From directory BayesianVE/PlotExperimentalCurves, run python3 ./PrintDir_V/plotExp_T.py or ./PrintDir_V/plotExp_C.py or ./PrintDir_V/plotExp_R.py</li> <li>Fig. 7: BayesianVEVP/CheckBayRes/Plot_Prop.py with direct = "V" and then with direct = "H" and with Var = [0,1,20,24,28,29,30,31]</li> <li>Fig. 8: BayesianVEVP/CheckBayRes/MCMCRes.py with direct = "V" (requires <a href="https://gitlab.onelab.info/cm3/cm3Libraries">https://gitlab.onelab.info/cm3/cm3Libraries</a> code)</li> <li>Fig. 9: BayesianVEVP/CheckBayRes/MCMCRes.py with direct = "H" (requires<a href="https://gitlab.onelab.info/cm3/cm3Libraries"> https://gitlab.onelab.info/cm3/cm3Libraries</a> code)</li> <li>Fig. 11: RandomParametersGenerator/CheckRes/Plot_PropGen.py with direct = "V" and then with direct = "H" and with Var = [0,1,20,24,28,29,30,31]</li> <li>Fig. 12: RandomParametersGenerator/CheckRes/GenDataRes.py with direct = "V" (requires <a href="https://gitlab.onelab.info/cm3/cm3Libraries">https://gitlab.onelab.info/cm3/cm3Libraries</a> code)</li> <li>Fig. 13: RandomParametersGenerator/CheckRes/GenDataRes.py with direct = "H" (requires <a href="https://gitlab.onelab.info/cm3/cm3Libraries">https://gitlab.onelab.info/cm3/cm3Libraries</a> code)</li> <li>Fig. 14A: From directory BayesianVE/PlotExperimentalCurves, run python3 ./PrintDir_H/plotExp_T.py or ./PrintDir_H/plotExp_C.py or ./PrintDir_H/plotExp_R.py</li> <li>Fig. 15C: BayesianVEVP/CheckBayRes/Plot_Prop.py with direct = "V", Var = [2,3,8,9,14,15,18,19] and [20,21,22,23,24,25,26,27]</li> <li>Fig. 16C: BayesainVEVP/CheckBayRes/plot_hist.py with direct = "V"</li> <li>Fig. 17C: BayesianVEVP/CheckBayRes/plot_hist.py with direct = "V"</li> <li>Fig. 18C: BayesianVEVP/CheckBayRes/Plot_Prop.py with direct = "H", Var = [2,3,8,9,14,15,18,19] and [20,21,22,23,24,25,26,27]</li> <li>Fig. 19C: BayesianVEVP/CheckBayRes/plot_hist.py with direct = "H"</li> <li>Fig. 20C: BayesianVEVP/CheckBayRes/plot_hist.py with direct = "H"</li> <li>Fig. 21D: RandomParametersGenerator/CheckRes/Plot_PropGen.py with direct = "V" , Var = [2,3,8,9,14,15,18,19] and [20,21,22,23,24,25,26,27]</li> <li>Fig. 22D: RandomParametersGenerator/CheckRes/Plot_PropGen.py with direct = "H" , Var = [2,3,8,9,14,15,18,19] and [20,21,22,23,24,25,26,27]</li> </ul> <p> </p> <p> </p>
Local response and emerging nonlinear elastic length scale in biopolymer matrices
<p>Dataset corresponding to the underlying numerical and experimental data of the research article "Local response and emerging nonlinear elastic length scale in biopolymer matrices". </p> <p>This repository contains four categories of data, each contained in a folder: <br> - Fiber Network Simulations <br> - Finite Elements Simulations <br> - Optical Tweezer Experiments<br> - Traction Force Microscopy<br> In each folder, a README.txt document provides a detailed description of the content.</p> <p>We would like to acknowledge the support from the NIH (1R01GM140108), MathWorks, and the Jeptha H. and Emily V. Wade Award at the Massachusetts Institute of Technology. H.Y. acknowledges the MathWorks Mechanical Engineering Fellowship. M.G. acknowledges the Sloan Research Fellowship. This project received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement no. 891217 and the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation), Project-ID 201269156 - SFB 1032 (Project B12) (E.B. and C.P.B.). P.R. is supported by France 2030, the French National Research Agency (ANR-16-CONV-0001), and the Excellence Initiative of Aix- Marseille University—A*MIDEX.</p>
Data sets for temperature rise due to frictional heat generation during a sliding contact between an elastic particle and a rigid substrate
<p>This dataset contains essential data from the Finite Element Method model predicting heat generation due to friction during the sliding contact between an elastic particle and a rigid substrate. Part of this data was processed and presented in an article under review for journal publication. The following is the description of the data files and the associated Figure in the original paper.</p> <p>'Temp_CoeffFric_01_055.xlsx' data for temperature evolution for the nodes in the contacts and along the particle radius for various friction coefficient values (0.1-0.55).</p> <p>'Temp_Load_001_01.xlsx' data for temperature evolution for the nodes in the contacts and along the particle radius for various normal load values (0.01-0.1 N).</p> <p>'Temp_Vel_02_1.xlsx' data for temperature evolution for the nodes in the contacts and along the particle radius for various sliding velocity values (0.2-1 m/s).</p> <p>'Temp_TC_5_100.xlsx' data for temperature evolution for the nodes in the contacts and along the particle radius for various thermal conductivity values. (i.e. 5-100 W/m K).</p> <p>'Temp_HC_100_1600.xlsx' data for temperature evolution for the nodes in the contacts and along the particle radius for various thermal conductivity values. (i.e. 100-1600 J/kg K).</p> <p> </p>
Understanding unconventional magnetic order in a candidate axion insulator by resonant elastic x-ray scattering - Data set
<p>This data set includes the resonant elastic xray scattering (REXS) data collected at the I16 (Diamond Light Source, United Kingdom) and P09 (DESY, Germany) beamline, along with the magnetization data.</p> <p>I16 Data<br> - Temperature dependence of the L=15 reflection<br> - Temperature dependence of the L=14.333 reflection<br> - 00L dependence (6K - 20K)<br> - Azimuthal dependence of L=15 reflection<br> - Azimuthal dependence of L=13.667 reflection</p> <p>P09 Data<br> - Field dependence of L=15 reflection (pi-pi channel)<br> - Field dependence of L=15 reflection (pi-sigma channel)<br> - Field dependence of L=14.333 reflection (pi-pi channel)<br> - Field dependence of L=14.333 reflection (pi-sigma channel)</p> <p>Magnetization Data<br> - Field Dependence of the Magnetization<br> </p>
Elastic pinch biomechanisms can yield consistent launch speeds regardless of projectile mass
<p><span></span></p> <p><span>Energetic trade-offs are particularly pertinent to bio-ballistic systems which impart energy to projectiles exclusively during launch. We investigated such tradeoffs in the spring-propelled seeds of <em>Loropetalum chinense, Hamamelis virginiana, </em>and<em> Fortunearia sinensis</em>. Using similar seed-shooting mechanisms, fruits of these confamilial plants (Hamamelidaceae) span an order of magnitude in spring and seed mass. We expected that as seed mass increased, ejection speed would decrease. Instead, ejection speed remained relatively constant. We tested if fruits shoot larger seeds by storing more elastic potential energy (PE). Spring mass and PE increased as seed mass increased (in order of increasing seed mass: <em>L. chinense, H. virginiana, F. sinensis</em>). As seed mass to spring mass ratio increased (ratios: <em>H. virginiana</em> = 0.503, <em>F. sinensis</em> = 0.653, <em>L. chinense</em> = 0.842), mass-specific PE storage increased. Conversion efficiency of PE to seed kinetic energy (KE) decreased with increasing fruit mass. Therefore, similar ejection speeds across scales occurred because (1) larger fruits stored more PE and (2) smaller fruits had higher mass-specific PE storage and improved PE to KE conversion. By examining integrated spring and projectile mechanics in our focal species, we revealed diverse, energetic scaling strategies relevant to spring-propelled systems navigating energetic trade-offs. </span></p>
Supplementary material for 3D Acoustic-Elastic Coupling with Gravity: The Dynamics of the 2018 Palu, Sulawesi Earthquake and Tsunami
<p>This repository contains the supplementary files for our SC21 submission: "3D Acoustic-Elastic Coupling with Gravity: The Dynamics of the 2018 Palu, Sulawesi Earthquake and Tsunami".</p> <p>It contains the input data for all simulations. For more details, please refer to the included README.md files.</p> <p> </p> <p>The directory "seissol-sc21-revision-source-code" contains the version of SeisSol that we used.</p> <p> </p>
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