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

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.