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Several sources of total cross sections for e$^+$e$^-$ pair production by photon interaction with matter, used by major Monte Carlo codes for particle transport, are quantitatively evaluated with respect to experimental measurements collected from the literature. They include data libraries deriving from theoretical calculations and analytical formulae representing empirical fits to tabulations. Although most of these sources of cross sections are based on one theoretical reference, the statistical data analysis documented in the paper highlights differences in their compatibility with experiment. The cross sections collected in the 1997 version of the Evaluated Photon Data Library (EPDL) exhibit the lowest incompatibility with experiment; the paper details the validation results for all the examined cross section sources. The scarcity of experimental data does not allow the validation process to discern pair production in the field of the nucleus and in the field of atomic electrons; nevertheless, the paper documents relevant clues regarding the contribution of the latter to reproduce experimental measurements., Comment: Accepted for publication in IEEE Transactions on Nuclear Science

Evolutions of Geant4 code have affected the simulation of electron backscattering with respect to previously published results. Their effects are quantified by analyzing the compatibility of the simulated electron backscattering fraction with a large collection of experimental data for a wide set of physics configuration options available in Geant4. Special emphasis is placed on two electron scattering implementations first released in Geant4 version 10.2: the Goudsmit-Saunderson multiple scattering model and a single Coulomb scattering model based on Mott cross section calculation. The new Goudsmit-Saunderson multiple scattering model appears to perform equally or less accurately than the model implemented in previous Geant4 versions, depending on the electron energy. The new Coulomb scattering model was flawed from a physics point of view, but computationally fast in Geant4 version 10.2; the physics correction released in Geant4 version 10.2p01 severely degrades its computational performance. Evolutions in the Geant4 geometry domain have addressed physics problems observed in electron backscattering simulation in previous publications., Comment: To be published in IEEE Trans. Nucl. Sci

Several total and partial photoionization cross section calculations, based on both theoretical and empirical approaches, are quantitatively evaluated with statistical analyses using a large collection of experimental data retrieved from the literature to identify the state of the art for modeling the photoelectric effect in Monte Carlo particle transport. Some of the examined cross section models are available in general purpose Monte Carlo systems, while others have been implemented and subjected to validation tests for the first time to estimate whether they could improve the accuracy of particle transport codes. The validation process identifies Scofield's 1973 non-relativistic calculations, tabulated in the Evaluated Photon Data Library(EPDL), as the one best reproducing experimental measurements of total cross sections. Specialized total cross section models, some of which derive from more recent calculations, do not provide significant improvements. Scofield's non-relativistic calculations are not surpassed regarding the compatibility with experiment of K and L shell photoionization cross sections either, although in a few test cases Ebel's parameterization produces more accurate results close to absorption edges. Modifications to Biggs and Lighthill's parameterization implemented in Geant4 significantly reduce the accuracy of total cross sections at low energies with respect to its original formulation. The scarcity of suitable experimental data hinders a similar extensive analysis for the simulation of the photoelectron angular distribution, which is limited to a qualitative appraisal., Comment: To be published in IEEE Trans. Nucl. Sci

A test of Geant4 simulation of electron backscattering recently published in this journal prompted further investigation into the causes of the observed behaviour. An interplay between features of geometry and physics algorithms implemented in Geant4 is found to significantly affect the accuracy of backscattering simulation in some physics configurations.

Backscattering is a sensitive probe of the accuracy of electron scattering algorithms implemented in Monte Carlo codes. The capability of the Geant4 toolkit to describe realistically the fraction of electrons backscattered from a target volume is extensively and quantitatively evaluated in comparison with experimental data retrieved from the literature. The validation test covers the energy range between approximately 100 eV and 20 MeV, and concerns a wide set of target elements. Multiple and single electron scattering models implemented in Geant4, as well as preassembled selections of physics models distributed within Geant4, are analyzed with statistical methods. The evaluations concern Geant4 versions from 9.1 to 10.1. Significant evolutions are observed over the range of Geant4 versions, not always in the direction of better compatibility with experiment. Goodness-of-fit tests complemented by categorical analysis tests identify a configuration based on Geant4 Urban multiple scattering model in Geant4 version 9.1 and a configuration based on single Coulomb scattering in Geant4 10.0 as the physics options best reproducing experimental data above a few tens of keV. At lower energies only single scattering demonstrates some capability to reproduce data down to a few keV. Recommended preassembled physics configurations appear incapable of describing electron backscattering compatible with experiment. With the support of statistical methods, a correlation is established between the validation of Geant4-based simulation of backscattering and of energy deposition.

This extended abstract briefly summarizes ongoing research activity on the evaluation and experimental validation of physics methods for photon and electron transport. The analysis includes physics models currently implemented in Geant4 as well as modeling methods used in other Monte Carlo codes, or not yet considered in general purpose Monte Carlo simulation systems. The validation of simulation models is performed with the support of rigorous statistical methods, which involve goodness-of-fit tests followed by categorical analysis. All results are quantitative, and are fully documented., Comment: To be published in the Proc. of RPSD 2014 (Radiation Protection and Shielding)

Several physics methods for the simulation of the photoelectric effect are quantitatively evaluated with respect to a large collection of experimental data retrieved from the literature. They include theoretical and empirical calculations of total and partial cross sections, and calculations of the photoelectron angular distribution. Some of these models are currently implemented in general purpose Monte Carlo systems; some have been implemented and evaluated for possible use in Monte Carlo particle transport for the first time in this study., Comment: To be published in the Proceedings of IEEE Nuclear Science Symposium 2013

Various issues related to the complexity of apprais- ing the capabilities of physics models implemented in Monte Carlo simulation codes and the evolution of the functional quality the associated software are considered, such as the dependence on the experimental environment where the software operates and its sensitivity to detector characteristics. The concept of software validity as relative to the environment is illustrated by means of a real-life experimental test case. Methods and techniques to mitigate the risk of deteriorating the quality of the software are critically discussed: they concern various disciplines of the software development process. Quantitative validation of physics models is advocated as a method to appraise their capabilities objectively and to monitor the evolution of their associated software behavior., Comment: To be published in the Proceedings of IEEE Nuclear Science Symposium 2013

Two models for the calculation of ionization cross sections by electron impact on atoms, the Binary-Encouter-Bethe and the Deutsch-Maerk models, have been implemented; they are intended to extend and improve Geant4 simulation capabilities in the energy range below 1 keV. The physics features of the implementation of the models are described, and their differences with respect to the original formulations are discussed. Results of the verification with respect to the original theoretical sources and of extensive validation with respect to experimental data are reported. The validation process also concerns the ionization cross sections included in the Evaluated Electron Data Library used by Geant4 for low energy electron transport. Among the three cross section options, the Deutsch-Maerk model is identified as the most accurate at reproducing experimental data over the energy range subject to test., Comment: To be published in IEEE Trans. Nucl. Sci., Dec. 2011

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.

The development of a package for the management of physics data is described: its design, implementation and computational benchmarks. This package improves the data management tools originally developed for Geant4 physics models based on the EADL, EEDL and EPDL97 data libraries. The implementation exploits recent evolutions of the C++ libraries appearing in the C++0x draft, which are intended for inclusion in the next C++ ISO Standard. The new tools improve the computational performance of physics data management., Comment: 7 pages, to appear in proceedings of the Nuclear Science Symposium and Medical Imaging Conference 2010, Knoxville