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Hierarchical density-based cluster analysis framework for atom probe tomography data.

I Ghamarian1, E A Marquis1

  • 1Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI 48109, USA.

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Summary
This summary is machine-generated.

A new hierarchical density-based cluster analysis framework improves atom probe tomography (APT) solute cluster identification. This robust method overcomes limitations of the maximum separation technique, offering enhanced versatility for materials science research.

Keywords:
Atom probe tomographyCluster searchDeBaClDensity-based clusteringHDBSCANLevel set tree

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Area of Science:

  • Materials Science
  • Data Analysis
  • Computational Methods

Background:

  • Atom probe tomography (APT) visualizes solute clusters.
  • Current analysis methods like maximum separation have limitations in parameter selection and applicability.
  • There is a need for more robust and versatile APT data analysis tools.

Purpose of the Study:

  • To implement a novel framework for robust and versatile cluster analysis in APT data.
  • To address the limitations of existing methods for solute cluster identification.
  • To provide an improved, objective approach for analyzing APT datasets.

Main Methods:

  • Implementation of a hierarchical density-based cluster analysis framework.
  • Utilizing HDBSCAN for initial data segmentation and DeBaCl for cluster refinement.
  • Quantifying cluster stability and atomic probability for refined analysis.
  • Optional k-nearest neighbor algorithm for matrix atom re-assignment.

Main Results:

  • The developed framework offers a more objective and versatile approach to cluster analysis in APT.
  • Performance was validated using synthetic APT datasets, showing improved outcomes compared to the maximum separation method.
  • The method requires minimal parameter tuning, with only minimum cluster size being essential.

Conclusions:

  • The hierarchical density-based cluster analysis framework provides a significant advancement for APT data interpretation.
  • This method enhances the reliability and applicability of solute cluster visualization and quantification.
  • Open-source code and data facilitate adoption and further development in the APT community.