Quantification model of X-ray fluorescence analysis based on iterative Monte Carlo procedure

TL;DR

This paper presents an iterative Monte Carlo method using MCNP6 for rapid and accurate quantification of atomic composition in solid materials via X-ray fluorescence analysis, validated with standard alloys.

Contribution

It introduces a novel iterative Monte Carlo approach combined with variance reduction techniques and a custom MATLAB framework for efficient XRF quantification.

Findings

Achieved acceptable agreement with reference alloy concentrations.

Completed analysis within a few minutes due to variance reduction.

Validated method with standard reference materials.

Abstract

Iterative Monte Carlo algorithm has been constructed and tested for quantification of X-ray fluorescence analysis in order to determine the atomic composition of solid materials. The calculation model uses simulation code MCNP6 that describes the excitation and relaxation phenomenon in the atomic electron shell. The complete analytical procedure was tested by quantitative analysis of standard reference alloy materials. Acceptable agreement was found between the calculated and nominal concentrations within the standard deviations of the concentrations of the major elements. The total duration of the repeatedly performed Monte Carlo numerical computation for the entire analysis was only a few minutes, due to the application of variance reduction procedures available in the Monte Carlo code. A frame software was designed and written in MatLab programming environment for controlling the iterative calculation of the elementary composition of the sample material.