Milling of single-crystalline tips supplementary material

This repository contains supplementary data and simulation results to our paper on "Building a Library of Simulated Atom Probe Data for Different Crystal Structures and Tip Orientations Using TAPSim". The data were generated in the revision stage of the proceedings paper to the APT&M2018 Microscopy and Microanalysis special Issue.

The source code for our C/C++ tip synthesis tool is available here on Github:
https://github.com/mkuehbach/APTTipCarving
https://github.com/mkuehbach/APTTipCarving.git

The MATLAB script to visualize detector hit maps are available as:
FDM_tapsim.m
read_dhits_f.m

The supplementary data contains several zip compressed folders, which in detail contain:

InputDependencies:
TAPSim and Meshgen configuration files, physical specification of the Al tip and evaporation conditions

scripts:
All shell scripts we used to generate the configurations as much as possible automatized. The scripts should be
placed in a folder. In this folder the following should be placed i) meshgen.ini, ii) Al*.cfg, iii) the tapsim, meshgen, and bicarving executables and the BiCarving and MeshGen generated output. Once a simulation queue is initiated, it creates
individual folders named BatchMill* one for each tip run specifically. These folder contain the TAPSim results.

OrientationsCompareToExpUsingInv through datsets *6604, *6606, *6608, *6610, *6612, and *6614.zip
These support Figure 3 and 4 of the manuscript with which the effect of increasing tip radii on detector hit intensity maps was studied. 6604 4nm half-sphere radius, 6606, 6nm, ...

OrientationsIdentityXRotated:
These simulations probe systematic rotations of an identity oriented tip about the x-axis rotating from +5deg in increments of +5degree to +85degree about the x-axis. We used them to assure the consistency of our orientation indexing scheme in
addition to the randomly oriented tips.

DetailedVerbosingOfTAPSim:
These data detail a simulation run which ran instrumented with the VERBOSE option of TAPSim
to identify how much run elapsed time was spent in certain sections of the code.

IdentifyWhyTAPSimFailsForSomeOris:
This bug reports through instrumented TAPSim source code one of the examples in which TAPSim failed
by allocating the entire system memory because of getting stuck in a while loop as is detailed further in the manuscript.