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42 results for “grain boundary”
Atomistic Structures discussed in "Segregation-enhanced grain boundary embrittlement of recrystallised tungsten evidenced by site-specific microcantilever fracture"
<p>The tar file Sigma7_GB.tar contains all data to reproduce the results shown and discussed in the Publication "Segregation-enhanced grain boundary embrittlement of recrystallised tungsten evidenced by site-specific microcantilever fracture", DOI: <a href="https://doi.org/10.1016/j.actamat.2023.119256">10.1016/j.actamat.2023.119256</a></p><p>It contains three folders for the grain boundary creation, decoration with P atoms, and fracture simulations.<br>The naming conventions and additional information are provided in README.txt files in the directories.</p>
Quantification of 3D spatial correlations between state variables and distances to the grain boundary network in full-field crystal plasticity spectral method simulations
<p>This repository provides supplementary material to our paper: <a href="https://doi.org/10.1088/1361-651X/ab7f8c">https://doi.org/10.1088/1361-651X/ab7f8c</a></p> <p><strong>DAMASKPhenoPowerLaw75x75x75TestCase.zip</strong><br> An exemplary DAMASK simulation and corresponding output, generated from DAMASK v2.0.3. We used this to debug more productively the implementation of the post-processing tools. Furthermore we employed this simulation in the paper to identify why the graph clustering grain reconstruction method in many cases fuses neighboring grains in similar orientation.</p> <p><strong>DAMASKPhenoPowerLaw256x256x256ProductionRun.zip</strong><br> All input to run the DAMASK simulation that we discussed in the paper.</p> <p><strong>DAMASKPDTSettings256x256x256ProductionRun.zip</strong><br> All damaskpdt settings files to execute the individual post-processing studies of the paper.</p> <p><strong>DAMASKPDTSlurmSubmissionScripts256x256x256ProductionRun.zip</strong><br> All SLURM scripts we used to execute the compilation of damaskpdt and post-processing on TALOS.</p> <p><strong>DAMASKPDTSlurmLogs256x256x256ProductionRun.zip</strong><br> All logs from the SLURM job management system from the individual post-processing runs.</p> <p><strong>DAMASKPDTSourceCode_USedForAnalyticalDistanceToVoronoiCellFacets.zip</strong><br> The source code to the tool we developed during the revision process of our paper to verify the methods<br> via computing analytically exact distances to the facets of the Poisson-Voronoi tessellation from the<br> DAMASK microstructure instantiation.<br> <br> <strong>DAMASKPDTSourceCode_Production.zip</strong><br> The source code we used to post-process all results from the DAMASK simulations.</p> <p><strong>GitHub repository:</strong><br> https://github.com/mkuehbach/damaskpdt</p>
Datasets for "Stable nanofacets in [111] tilt grain boundaries of face-centered cubic metals"
<p>This repository contains raw data for the paper “Stable nanofacets in [111] tilt grain boundaries of face-centered cubic metals”. It contains the input files, scripts, and raw data of the simulations, as well as raw data from scanning transmission electron microscopy.</p>
Dataset for "Effect of the atomic structure of complexions on the active disconnection mode during shear-coupled grain boundary motion"
<p>This repository contains the data of the simulations and theoretical<br>calculations of the paper "Effect of the atomic structure of complexions on the active disconnection mode during shear-coupled grain boundary motion".</p>
Dataset for article " Deformation of polycrystalline MgO up to 8.3 GPa and 1270 K: microstructures, dominant slip-systems, and transition to grain boundary sliding"
<p>This archive countains the dataset used to produce the paper "Deformation of polycrystalline MgO up to 8.3 GPa and 1270 K: microstructures, dominant slip-systems, and transition to grain boundary sliding" in press by Frontiers in Earth Science.</p> <p>(c) Estelle Ledoux, Université de Lille, France, 2020</p>
Datasets belonging to the paper "Dual phase patterning during a congruent grain boundary phase transition in elemental copper"
<p>This repository contains the raw data of the experimental STEM imaging and the data corresponding to the simulations and theoretical calculations of the paper "Dual phase patterning during a congruent grain boundary phase transition in elemental copper" available under <a href="https://doi.org/10.1038/s41467-022-30922-3">https://doi.org/10.1038/s41467-022-30922-3</a> .</p> <p>See the file README.md for a detailed description.</p>
Dataset for "Universality of grain boundary phases in fcc metals: Case study on high-angle [111] symmetric tilt grain boundaries"
<p>This repository contains the input files, scripts, and raw data of the simulations for the paper "Universality of grain boundary phases in fcc metals: Case study on high-angle [111] symmetric tilt grain boundaries".</p> <p>This data comprises structures of grain boundaries in high-angle [111] symmetric tilt grain boundaries in fcc metals as modeled by various (M)EAM potentials. Investigations include ground state thermodynamic excess properties, excess free energy calculations under stress or strain and with varying temperature, and related molecular dynamics simulations.</p> <p>See README.md for details.</p>
Data for 'Grain boundary segregation and phase separation in ceria-zirconia from atomistic simulation'
<p>Data for the article 'Grain boundary segregation and phase separation in ceria-zirconia from atomistic simulation', including input and output files for simulations, and scripts to perform data analysis and generate figures.</p>
Data for "Influence of variation in grain boundary parameters on the evolution of atomic structure and properties of [111] tilt grain boundaries in aluminum"
<p>This repository contains the raw data of experimental STEM images and of the simulations for the paper "Influence of variation in grain boundary parameters on the evolution of atomic structure and properties of [111] tilt boundaries in aluminum".</p>
Experimental data related to the publication: "In-situ analysis of the effect of residual fcc phase and special grain boundaries on the deformation dynamics in pure cobalt"
<p>The article figures were produced solely from these data sets employing data processing methods described therein. For experimental conditions and naming conventions please refer to the paper.</p> <p><br>1. Deformation data files contained within "deformation_data.zip":</p> <p>The .zip archive contains five files related to five samples of thermally treated cobalt:<br>def_co600.csv<br>def_co800.csv<br>def_co1100.csv<br>def_co1100-10c.csv<br>def_co1100-20c.csv</p> <p>The data were recorded during compression of the above-listed samples at room temperature. </p> <p><br>2. Acoustic emission (AE) data files contained within "AE_data.zip":</p> <p>The .zip archive contains four files related to four samples of thermally treated cobalt:<br>AE_co600.wav<br>AE_co800.wav<br>AE_co1100.wav<br>AE_co1100-20c.wav</p> <p>The AE data were recorded in continuous mode ("data streaming" at 2 MHz) during compression of the above-listed samples at room temperature. </p> <p> </p> <p>3. Electron back-scatter diffraction (EBSD) data files contained within "EBSD_data.zip":</p> <p>The .zip archive contains fifty-three .osc files related to samples of as-drawn and thermally treated cobalt within four folders:<br>0c - as-drawn and annealed samples (i.e. without thermal cycling)<br>10c - annealed samples after thermal cycling of 10 cycles<br>20c - annealed samples after thermal cycling of 20 cycles<br>ex-situ_def - ex-situ EBSD during deformation of selected samples</p> <p>The .osc data files represent EBSD data after clean-up procedures described in detail in the manuscript.</p> <p> </p> <p> </p> <p> </p>
Data for "Grand canonically optimized grain boundary phases in hexagonal close-packed titanium"
<p>Supporting data of GB structures and scripts for the paper titled "Grand canonically optimized grain boundary phases in hexagonal close-packed titanium."</p>
Data Supporting The role of dopant segregation on the oxygen vacancy distribution and oxygen diffusion in CeO2 grain boundaries
<p>Data supporting the article "The role of dopant segregation on the oxygen vacancy distribution and oxygen diffusion in CeO<sub>2</sub> grain boundaries, accepted for publication in the Journal of Physics: Energy (<a href="https://doi.org/10.1088/2515-7655/ab28b5">doi.org/10.1088/2515-7655/ab28b5</a>). Data includes inputs for molecular dynamics simulations using the DL_POLY classic code.Simulations can be rerun from the inputs provide. </p> <p>Input data required for the generation of the grain boundary structures is included and uses the METADISE code. </p>
Research data supporting for "Characterization of recovery onset by subgrain and grain boundary migration in experimentally deformed polycrystalline olivine"
<p>Abstract: To apprehend plate tectonics and the dynamics of the lithosphere–asthenosphere boundary, composed principally of olivine, we need to understand the mechanisms that control plastic deformation of olivine in the relevant temperature domain. After more than 50 years of laboratory studies and investigations on natural rocks, the interplay of several key parameters (e.g. temperature, pressure, vacancy concentration, dislocation densities, grain size, strain rate) controlling polycrystalline olivine plasticity remains difficult to assess. Here, we study four olivine polycrystals, which have been deformed in axial compression under a confining pressure of 300MPa, at 1273 or 1473 K. Despite significant differences in mechanical properties (stress–strain curves), previous characterization by scanning (SEM) and transmission electron microscopy (TEM) did not reveal significant differences in dislocation microstructures which could explain these contrasted behaviours. We have undertaken automatic crystallographic orientation mapping (ACOM) analyses in TEM to increase the spatial resolution of characterization compared to previously obtained electron backscatter diffraction maps to further decipher the microstructures at nanoscale. With this novel technique applied to olivine, a noticeable difference in the onset of microstructural recovery has been identified between specimens deformed at 1273 and 1473 K. The microstructures of the olivine polycrystals deformed at 1473K exhibit numerous curved grain and subgrain boundaries, advocating for recovery by boundary migration. In contrast, the microstructures of the olivine polycrystals deformed at 1273K have significantly fewer subgrain boundaries and show more straight boundaries (i.e. closer to an equilibrium microstructure) than in the specimen deformed at 1473 K. Characterization by ACOM-TEM has permitted the identification of the onset of recovery, which is led by boundary migration even for very low macroscopic finite strains.</p> <p> </p>
Dataset belonging to the paper "Atomic resolution observations of silver segregation in a [111] tilt grain boundary in copper"
<p>This repository contains the raw data of the experimental (S)TEM imaging and the data corresponding to the simulations and theoretical calculations of the paper "Atomic resolution observations of silver segregation in a [111] tilt grain boundary in copper",. A pre-print version of the paper is available on arXiv: <a href="http://doi.org/10.48550/arXiv.2212.01180">http://doi.org/10.48550/arXiv.2212.01180</a></p> <p>See the file README.md for a detailed description.</p>
Grain Boundary Sliding in Tin
<p>Grain boundary sliding is an important deformation mechanism that contributes to creep and superplastic forming. In tin-based lead-free solders grain boundary sliding can make significant contributions to in service performance. Novel microcompression tests designed to isolate individual grain boundaries and assess their mechanical resistance to sliding were conducted on tin. The boundary sliding deformation was more obvious for smaller sample cross-sections and made a larger contribution to the overall deformation. As with dislocation and twinning mediated plasticity there was a significant size effect in which the resistance to grain boundary sliding increases as the sample size is reduced.</p> <p> </p> <p>The two Excel files contain:</p> <p>1. stress-displacement curves from compression tests made on micro-pillars of different sizes cut in the bi-crystal and the two constituent single crystals.</p> <p>2. flow stress versus pillar size for the bi-crystal and the two constituent single crystals, along with the percentage of total deformation contributed by grain boundary sliding in the bi-crystal test pieces as a function of size.</p> <p> </p> <p> </p>
Raw data and MTEX script for the article : "Quantification of grain boundary mobilities in natural olivine by annealing experiments and full-field modelling"
<p>This dataset contains the EBSD (.ctf) files of the different sample areas analyzed in the article : "Quantification of grain boundary mobilities in natural olivine by annealing experiments and full-field modelling" by J. Furstoss, S. Demouchy, A. Tommasi, E. Gardès, F. Barou and N. Marino, which is expected to be published in Tectonophysics. This repository also contains the Analyze.m MTEX script which has been used for the post-processing of the EBSD files. This script has to be run in matlab and outputs different figures and .csv files containing the raw data used in the article. For any questions please contact jfurstoss@orange.fr </p>
Supplementary Data: Kapitza thermal resistance across individual grain boundaries in graphene
<p>The data here are the numerical bi-crystalline graphene samples used in Ref. [1].</p> <p>There are 13 folders named "1", "2", ..., "13". Each folder contains a file named "xyz.in". They are in the format of the "xyz.in" file used in the GPUMD package [2]. From folder "1" to "13", the tilt angle increases monotonically. See Table 1 of Ref. [1] for the values of the tilt angles.</p> <p>[1] Khatereh Azizi, Petri Hirvonen, Zheyong Fan, Ari Harju, Ken R Elder, Tapio Ala-Nissila, and S Mehdi Vaez Allaei,<br> Kapitza thermal resistance across individual grain boundaries in graphene,<br> Carbon 125, 384 (2017).<br> https://doi.org/10.1016/j.carbon.2017.09.059<br> https://arxiv.org/abs/1709.09529</p> <p>[2] Zheyong Fan, GPUMD,<br> https://github.com/brucefan1983/GPUMD<br> http://doi.org/10.5281/zenodo.995667</p> <p> </p>
Analytical Electron Microscopy of Grain Boundary Segregation: Application to Al-Zn-Mg-Cu (7xxx) Alloys - Supporting Data
<p>Data to reproduce the figures reported in the manuscript Analytical Electron Microscopy of Grain Boundary Segregation: Application to Al-Zn-Mg-Cu (7xxx) Alloys. Published open access in Materials Characterization <a href="https://doi.org/10.1016/j.matchar.2019.06.016">https://doi.org/10.1016/j.matchar.2019.06.016</a></p>
3D nanostructural characterisation of grain boundaries in atom probe data utilising machine learning techniques
<p>This repository contains supplementary data to the simulations in our paper</p> <p>"3D nanostructural characterisation of grain boundaries in atom probe data utilising machine learning techniques"</p> <p><strong>APTTipCarvingExecutable.tar.gz</strong><br> Contains the production state of the tip synthesis tool source code and compilation</p> <p><strong>TAPSimExecutable.tar.gz</strong><br> Contains the production state of the TAPSim simulation tool source code and compilation</p> <p><strong>scripts.zip</strong><br> Contains tiny shell scripts we used to execute the simulations</p> <p><strong>Two production simulations were performed.</strong><br> Both use the same tip bicrystal geometry but different orientations:<br> <strong>SimID.31054 is the one we discuss in the paper, it has the experimentally measured orientations</strong><br> SimID.31053 is an exemplary simulation with two different crystal orientations</p> <p><strong>For both SimID results five TAR archives exist:</strong><br> TAPSimDetectorHits* contains the main result, the simulated detector hit positionsBiCarving*<br> TAPSimTrajectories* contains all ion trajectories<br> TAPSimInput* contains supplementary results of the TAPSim field evaporation simulation<br> BiCarving* contains the settings and results of the synthesis, the XML file inside the archive details the orientations<br> Meshgen* contains the results of the meshing process prior to the TAPSim simulation</p> <p> </p>
Experimental dataset for the publication "Characterisation of Microstructure and Special Grain Boundaries in LPBF AlSi10Mg Alloy Subjected to the KoBo Extrusion Process"
<p>Dataset includes:</p> <p>EBSD data:</p> <p>KOBO.ang - KOBO-processed sample</p> <p>LPBF_condition.ang - As-built sample</p> <p>TKD data:</p> <p>TKD_KOBO.ang - KOBO-processed sample</p> <p>HRTEM images:</p> <p>Fig. 12(b).dm3 - KOBO-processed sample</p>
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