3D nanostructural characterisation of grain boundaries in atom probe data utilising machine learning techniques

This repository contains supplementary data to the simulations in our paper

"3D nanostructural characterisation of grain boundaries in atom probe data utilising machine learning techniques"

APTTipCarvingExecutable.tar.gz
Contains the production state of the tip synthesis tool source code and compilation

TAPSimExecutable.tar.gz
Contains the production state of the TAPSim simulation tool source code and compilation

scripts.zip
Contains tiny shell scripts we used to execute the simulations

Two production simulations were performed.
Both use the same tip bicrystal geometry but different orientations:
SimID.31054 is the one we discuss in the paper, it has the experimentally measured orientations
SimID.31053 is an exemplary simulation with two different crystal orientations

For both SimID results five TAR archives exist:
TAPSimDetectorHits* contains the main result, the simulated detector hit positionsBiCarving*
TAPSimTrajectories* contains all ion trajectories
TAPSimInput* contains supplementary results of the TAPSim field evaporation simulation
BiCarving* contains the settings and results of the synthesis, the XML file inside the archive details the orientations
Meshgen* contains the results of the meshing process prior to the TAPSim simulation