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Updated: Jan 29, 2026

Atom Probe Tomography Analysis of Exsolved Mineral Phases
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An Automated Computational Approach for Complete In-Plane Compositional Interface Analysis by Atom Probe Tomography.

Zirong Peng1, Yifeng Lu2, Constantinos Hatzoglou3

  • 1Department of Microstructure Physics and Alloy Design,Max-Planck-Institut für Eisenforschung GmbH,Max-Planck-Straße 1, 40237 Düsseldorf,Germany.

Microscopy and Microanalysis : the Official Journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada
|February 7, 2019
PubMed
Summary

We developed an automated computational method for analyzing atom probe tomography data, offering robust and high-resolution mapping of interfacial excess and composition. This approach enhances the understanding of material interfaces.

Keywords:
Gibbsian interfacial excessatom probe tomographydata mininggrain boundarysegregation

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Area of Science:

  • Materials Science
  • Computational Materials Science
  • Surface Science

Background:

  • Atom probe tomography (APT) is a powerful technique for nanoscale chemical analysis.
  • Analyzing interfaces in APT datasets requires sophisticated computational tools.
  • Quantitative characterization of interfacial properties is crucial for materials design.

Purpose of the Study:

  • To introduce an efficient, automated computational approach for analyzing APT interfaces.
  • To enable quantitative mapping of interface thickness, composition, and Gibbsian interfacial excess.
  • To evaluate the robustness and resolution of interfacial excess mapping compared to composition mapping.

Main Methods:

  • Development of an automated computational workflow for APT interface analysis.
  • Quantitative mapping of interface thickness, composition, and solute segregation.
  • Field evaporation simulations to analyze trajectory aberrations and their impact on measurements.

Main Results:

  • The developed method provides quantitative mapping of interface thickness, composition, and Gibbsian interfacial excess.
  • Interfacial excess maps demonstrate greater robustness and higher resolution in revealing compositional variations than composition maps.
  • Simulations reveal the impact of trajectory aberrations on the accuracy of interfacial measurements.

Conclusions:

  • The automated computational approach offers an efficient and reliable method for APT interface analysis.
  • Interfacial excess mapping is a superior metric for identifying compositional variations at interfaces.
  • Understanding trajectory aberrations is key to accurate quantitative analysis of decorated interfaces.