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&amp;M2018 Microscopy and Microanalysis special Issue. <strong>The source code for our C/C++ tip synthesis tool is available here on Github:</strong><br> https://github.com/mkuehbach/APTTipCarving<br> https://github.com/mkuehbach/APTTipCarving.git <strong>The MATLAB script to visualize detector hit maps are available as:</strong><br> FDM_tapsim.m<br> read_dhits_f.m <strong>The supplementary data contains several zip compressed folders, which in detail contain:</strong> <strong>InputDependencies:</strong><br> TAPSim and Meshgen configuration files, physical specification of the Al tip and evaporation conditions <strong>scripts:</strong><br> All shell scripts we used to generate the configurations as much as possible automatized. The scripts should be<br> 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<br> individual folders named BatchMill* one for each tip run specifically. These folder contain the TAPSim results. <strong>OrientationsCompareToExpUsingInv through datsets *6604, *6606, *6608, *6610, *6612, and *6614.zip</strong><br> 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, ... <strong>OrientationsIdentityXRotated:</strong><br> 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<br> addition to the randomly oriented tips. <strong>DetailedVerbosingOfTAPSim:</strong><br> These data detail a simulation run which ran instrumented with the VERBOSE option of TAPSim<br> to identify how much run elapsed time was spent in certain sections of the code. <strong>IdentifyWhyTAPSimFailsForSomeOris:</strong><br> This bug reports through instrumented TAPSim source code one of the examples in which TAPSim failed<br> by allocating the entire system memory because of getting stuck in a while loop as is detailed further in the manuscript.