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Building a Library of Simulated Atom Probe Data for Different Crystal Structures and Tip Orientations Using TAPSim

Published online by Cambridge University Press:  18 February 2019

Markus Kühbach Open the ORCID record for Markus Kühbach [Opens in a new window] ,
Andrew Breen ,
Michael Herbig  and
Baptiste Gault Open the ORCID record for Baptiste Gault [Opens in a new window]
Markus Kühbach*
Affiliation:
Max-Planck-Institut für Eisenforschung GmbH, Max-Planck-Str. 1, D-40237 Düsseldorf, Germany
Andrew Breen
Affiliation:
Max-Planck-Institut für Eisenforschung GmbH, Max-Planck-Str. 1, D-40237 Düsseldorf, Germany
Michael Herbig
Affiliation:
Max-Planck-Institut für Eisenforschung GmbH, Max-Planck-Str. 1, D-40237 Düsseldorf, Germany
Baptiste Gault
Affiliation:
Max-Planck-Institut für Eisenforschung GmbH, Max-Planck-Str. 1, D-40237 Düsseldorf, Germany
*
*Author for correspondence: Markus Kühbach, E-mail: m.kuehbach@mpie.de
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Abstract

The process of building an open source library of simulated field desorption maps for differently oriented synthetic tips of the face-centered cubic, body-centered cubic, and hexagonal-close-packed crystal structures using the open source software TAPSim is reported. Specifically, the field evaporation of a total set of 4 × 101 single-crystalline tips was simulated. Their lattices were oriented randomly to sample economically the fundamental zone of crystal orientations. Such data are intended to facilitate the interpretation of low-density zone lines and poles that are observed on detector hit maps during Atom Probe Tomography (APT) experiments. The datasets and corresponding tools have been made publicly available to the APT community in an effort to provide better access to simulated atom probe datasets. In addition, a computational performance analysis was conducted, from which recommendations are made as to which key tasks should be optimized in the future to improve the parallel efficiency of TAPSim.

Keywords

atom probe crystallographyAtom Probe TomographyTAPSimmachine learningdata mining
Type
Data Analysis
Information
Microscopy and Microanalysis , Volume 25 , Special Issue 2: Atom Probe Tomography and Microscopy APT&M 2018 , April 2019 , pp. 320 - 330
Copyright
Copyright © Microscopy Society of America 2019 

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