Comparison of two Monte Carlo approaches for homogeneous bulk samples

This manuscript presents a comparative analysis of two software packages, MC X‐ray and PENELOPE, focusing on their accuracy and efficiency in simulating k‐ratios for binary compounds and comparing their spectra with experimental data for pure elements and compounds. Based on the Pouchou database, MC X‐ray slightly outperforms PENELOPE in k‐ratio calculations, achieving a root mean square error (RMSE) of 2.71% with a standard deviation of 0.027, compared to 2.87% with a standard deviation of 0.053. Discrepancies between the two programs emerge at lower beam energies (3 and 5 keV) when comparing simulated spectra with experimental data; however, at higher energies (20 and 30 keV), both software packages exhibit consistent and reliable performance across a range of atomic numbers. While both tools are effective for analysing homogeneous bulk samples, MC X‐ray offers significant advantages in processing speed and user‐friendliness. This study underscores the strengths and limitations of each package, providing valuable insights for researchers engaged in X‐ray simulation and microanalysis.