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A flexible and standalone forward simulation model for laboratory X-ray diffraction contrast tomography.

H Fang1, D Juul Jensen1, Y Zhang1

  • 1Department of Mechanical Engineering, Technical University of Denmark, Kgs. Lyngby, 2800, Denmark.

Acta Crystallographica. Section A, Foundations and Advances
|October 30, 2020
PubMed
Summary

A new forward simulation model enhances laboratory X-ray diffraction contrast tomography (LabDCT) for non-destructive microstructural analysis. This tool accurately predicts diffraction patterns, improving grain mapping in bulk materials.

Keywords:
3D grain mappingX-ray diffractiondiffraction contrast tomographyforward simulationgrain reconstruction

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Area of Science:

  • Materials Science
  • Crystallography
  • Imaging Techniques

Background:

  • Laboratory X-ray diffraction contrast tomography (LabDCT) is a key technique for non-destructive microstructural analysis of bulk materials.
  • Accurate grain reconstruction in LabDCT depends on detailed understanding and segmentation of diffraction spots.
  • The physics of the diffraction process needs to be well-understood for precise microstructural mapping.

Purpose of the Study:

  • To develop a flexible, standalone forward simulation model for computing diffraction projections.
  • To enable the simulation of polycrystalline samples with diverse crystal structures.
  • To validate the model's accuracy against virtual and experimental data.

Main Methods:

  • Development of a flexible, standalone forward simulation model for diffraction projections.
  • Validation using a virtual polycrystalline structure to compare reconstructed and input data.
  • Experimental verification with a partially recrystallized Aluminum (Al) sample, comparing simulated and experimental diffraction spots.

Main Results:

  • The forward simulation model accurately computes diffraction projections for various crystal structures.
  • High agreement was observed in grain orientations, boundary positions, and shapes between virtual input and reconstructed structures.
  • Simulations closely matched experimental data for spot positions, sizes, and intensities in an Al sample.

Conclusions:

  • The developed forward simulation model is accurate and versatile for LabDCT applications.
  • This tool enhances the non-destructive analysis of grain microstructures in bulk materials.
  • The model facilitates detailed analysis of specific diffraction spot features for improved material characterization.