edXTrace: A ray tracing software tool for correcting absorption effects and detector shadowing for EDXS...

Area of Science:

• Materials Science
• Analytical Chemistry
• Physics

Background:

• Large-area and multi-detector energy-dispersive X-ray spectrometer (EDXS) systems present quantification challenges.
• Increased absorption effects and shadowing across detector surfaces impact accuracy.
• Conventional methods like specimen tilting are insufficient for complex geometries.

Purpose of the Study:

• To develop a simulation tool for accurate EDXS quantification.
• To address X-ray absorption and shadowing effects in complex detector geometries.
• To integrate corrections into Transmission Electron Microscopy (TEM) workflows.

Main Methods:

• Developed edXTrace, a Python-based ray tracing simulation tool.
• Modeled energy-dependent X-ray absorption and shadowing effects.
• Created a DigitalMicrograph script for workflow integration.

Main Results:

• edXTrace accurately models absorption and shadowing for arbitrary geometries.
• The integrated script enhances quantitative accuracy in large-area EDXS.
• Demonstrated improved quantitative analysis using a NiO test specimen.

Conclusions:

• edXTrace provides a practical solution for accurate EDXS quantification.
• The tool is adaptable for complex specimen-detector configurations in modern TEM.
• This approach significantly improves the reliability of EDXS analysis.