Evaluation of atomic electron binding energies for Monte Carlo particle transport

TL;DR

This paper evaluates various atomic binding energy compilations used in Monte Carlo simulations, analyzing their accuracy against experimental data and their impact on simulation results, to guide optimal data library selection.

Contribution

It provides a comprehensive assessment of atomic binding energy data sets and their effects on Monte Carlo particle transport accuracy, offering recommendations for data library improvements.

Findings

Different binding energy compilations vary in accuracy.

Binding energy choices significantly affect simulation outputs.

Recommendations improve Monte Carlo simulation reliability.

Abstract

A survey of atomic binding energies used by general purpose Monte Carlo systems is reported. Various compilations of these parameters have been evaluated; their accuracy is estimated with respect to experimental data. Their effects on physics quantities relevant to Monte Carlo particle transport are highlighted: X-ray fluorescence emission, electron and proton ionization cross sections, and Doppler broadening in Compton scattering. The effects due to different binding energies are quantified with respect to experimental data. The results of the analysis provide quantitative ground for the selection of binding energies to optimize the accuracy of Monte Carlo simulation in experimental use cases. Recommendations on software design dealing with these parameters and on the improvement of data libraries for Monte Carlo simulation are discussed.