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Related Experiment Video

Updated: Mar 30, 2026

Atom Probe Tomography Analysis of Exsolved Mineral Phases
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A Meshless Algorithm to Model Field Evaporation in Atom Probe Tomography.

Nicolas Rolland1, François Vurpillot1, Sébastien Duguay1

  • 1Groupe de Physique des Matériaux,Université et INSA de Rouen - UMR CNRS 6634 - Normandie Université,France.

Microscopy and Microanalysis : the Official Journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada
|November 10, 2015
PubMed
Summary

This study introduces a novel simulation method for atom probe tomography field evaporation. It efficiently models charge distribution and atomic evaporation probability without requiring a mesh, enhancing computational speed.

Keywords:
Barnes–Hut algorithmRobin’s equationatom probe tomographymeshless simulationpoint charge model

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Area of Science:

  • Materials Science
  • Computational Physics
  • Surface Science

Background:

  • Atom probe tomography (APT) is a powerful technique for nanoscale material analysis.
  • Simulating field evaporation in APT is crucial for accurate data interpretation.
  • Existing simulation methods can be computationally intensive.

Purpose of the Study:

  • To present an alternative, computationally efficient approach for simulating field evaporation in APT.
  • To model the charge distribution and evaporation probability of surface atoms directly.
  • To demonstrate the method's effectiveness using standard desorption maps.

Main Methods:

  • Utilizes the electrostatic Robin's equation to directly calculate charge distribution on the tip apex.
  • Models the partial ionization state of surface atoms as point charges representing evaporation probability.
  • Employs an adapted Barnes-Hut N-body algorithm for computational efficiency.

Main Results:

  • Successfully simulates the field evaporation process without a supporting mesh.
  • Demonstrates the method's effectiveness through standard desorption maps of cubic structures.
  • Achieves computational efficiency via the optimized N-body algorithm.

Conclusions:

  • The presented method offers an effective and efficient alternative for simulating field evaporation in APT.
  • Direct calculation of charge distribution and atomic evaporation probability is feasible.
  • This approach can advance the accuracy and speed of atom probe tomography data analysis.