DOI: 10.5281/zenodo.2540525
title: Experimental–Computational Analysis of Nucleation Sites for Primary Static Recrystallization

description: This repository contains supplementary material to our paper. Specifically, the Matlab, Python,a and Shell scripts and cellular automaton source code we used to run and post-process the simulations as well as the simulation results:

<strong>MTEXEBSDMappingStructureInitialization.zip</strong><br>
Specifies, using MTex v5.0.3, how we converted the measured SEM/EBSD mapping to a synthetic 2d microstructure.

<strong>SCORESourceCode.zip</strong><br>
Specifies the source code of SCORE. Version 1.2.1. Demands a local HDF5 installation. MPI/OpenMP parallelized.<br>
Inspect www.github.com/mkuehbach/SCORE for further details on how to compile and background to the model<br>
an implementation.

<strong>ExecuteSimulations.zip</strong><br>
Specifies shell scripts and UDS input files to execute the simulations. Details via these UDS files also all parameter<br>
settings we used to reproduce the runs.

<strong>ComparisonXaXv.tar.gz</strong><br>
Compares in summarized form, and extracted from the RXAreaFractionDepthProfile folder files, the area vs<br>
volume fraction at specified time snapshots for the z= [0.0, 0.5, 1.0] RDTD section.<br>
 <br>
<strong>Inherited_GrainSizeMicrostructure.zip</strong><br>
ANG-like serial sectioning snapshot results and IPF visualization of microstructure evolution for those<br>
simulation cases in which the nuclei inherited the orientation from their site.

<strong>Random_GrainSizeMicrostructure.zip</strong><br>
ANG-like serial sectioning snapshot results and IPF visualization of microstructure evolution for those<br>
simulation cases in which the nuclei had random orientations form the SO3.

<strong>RXAreaFractionDepthProfile.zip</strong><br>
Specifies the evolution of the area fraction recrystallized with grains in cross-sectional area &gt;=13px<br>
for every RDTD layer.

The corresponding parameterization is detailed in the *.uds input file which specifies all constitutive parameter<br>
and log settings of the automaton. The simulation is executed by compiling the program and linking to<br>
HDF5. The OMP_NUM_THREADS environment variable should be set to not more than 10.<br>
The SCORE is executed as follows:<br>
mpirun -np 1 ./score &lt;simid&gt; &lt;udsfile&gt; &lt;KAM Ang EBSD file&gt; 1&gt;STDOUT.txt 2&gt;STDERR.txt<br>
<br>
<strong>Profiling.zip</strong><br>
Details the execution log of the automaton ie runtime individual composition of nuclei volume transformation<br>
progression, interfacial area evolution, etc.

<strong>SingleGrainData.zip</strong><br>
Details the volume consumption / volume gain kinetics of every single deformed / recrystallized grain.

<strong>TemperatureTimeProfile.zip</strong><br>
Details the time/temperature and step profile of the numerical integration.<br>
This allows to map integration time steps to simulated microstructural states.

<strong>ThreadProfilingGrowth.zip</strong><br>
Details the evolution of the recrystallized volume versus time and number of active cells per thread sub-domain.

<strong>MartinPostprocessingScripts.zip</strong><br>
Is a collection of Python and MTex scripts to compile the area size distribution and compute ODFs.