SimID3 --- Zirconium single-crystalline pillars

This repository contains all input data for simulating the field-evaporation process of specifically
oriented single-crystalline APT pillars with representing h.c.p. zirconium using TAPSim.

Having conducted all simulations, it contains all detector hit information for all ions and each pillar.

The authors have also personally stored the trajectories of all ions for each pillar. However,
given the size of these particular additional binary data (approx. 100 - 200GB), they have
--- as a compromise --- not yet been uploaded.  They are available from the authors for free upon request.

The individual components of the dataset are as follows, where the * is a placeholder/wildcard.

*MeshgenInput.tar.gz
The compressed txt-based inputfiles for MESHGEN with which the inputfiles for TAPSim
for each pillar were generated.

*TapsimInput.tar.gz
the compressed binary inputfiles for TAPSim which specify at which locations
the atoms and mesh supporting points are located

*BaseAndTip.zip
The compressed PNG-renditions of where the pillar ions and the base plate supporting points are located.
The potential Moire effects apparent in the images are likely related to us reducing the rendering resolution.

*Everything.zip
The compressed PNG-renditions of where the pillar ions, the base plate supporting points, and mesh points are located.

*Meta.mat and *PRNG.txt
The MATLAB workspace variables which hold the orientation of each pillar as a rotation matrix and
the seed of the random number generator. The rotation matrix is of active sense premultiplying
point position vectors from the VESTA output into their actual locations from which subsequently the pillar was carved.

*.vesta
The Vesta inputfile with which sufficiently sized lattice point clouds were
written out to subsequently rotate them and carve into a pillar.

*DetectorHits.tar.gz
The compressed raw data in the default TAPSim format encoding where each
ion hit the detector surplus additional pieces of information.

tar.gz files are most conveniently extracted with a Unix/Linux operating system via for instance the command:
tar -xvf nameofthefile.tar.gz