Evaluation of Atomic Electron Binding Energies for Monte Carlo Particle Transport

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 physical 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. Among the examined compilations, EADL is found in general a less suitable option to optimize simulation accuracy; other compilations exhibit distinctive capabilities in specific applications, although in general their effects on simulation accuracy are rather similar. 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.