[Broadening technique for Monte Carlo simulated element characteristic X-ray spectrum]

Area of Science:

• Materials Science
• Analytical Chemistry
• Computational Physics

Context:

• Monte Carlo (MC) simulations are crucial for generating theoretical X-ray spectra.
• Discrepancies often exist between simulated and experimental X-ray spectra due to detector characteristics.
• Accurate spectral matching is vital for quantitative elemental analysis.

Purpose:

• To develop a broadening algorithm using a detector response function (DRF) to reconcile simulated and experimental X-ray spectra.
• To establish a generalizable DRF model for Silicon-PIN (Si-PIN) semiconductor detectors.
• To validate the algorithm's effectiveness in matching complex spectra.

Summary:

• A novel DRF model was developed and applied to broaden Monte Carlo simulated spectra.
• Weighted nonlinear least-square fitting was used to parameterize the DRF model with standard element spectra.
• The broadened simulated spectra demonstrated high consistency with experimental data, resolving complex overlaps.

Impact:

• Enables more accurate elemental quantification from X-ray spectroscopy.
• Reduces the need for extensive experimental calibration for simulations.
• Facilitates improved analysis of complex materials and alloys using X-ray techniques.