Evaluation of the influence of physical and chemical parameters on water radiolysis simulations under MeV electron irradiation using Geant4-DNA

This paper presents the influence of electron elastic scattering models, electron thermalization models, and chemical parameters on Geant4-DNA simulations of liquid water radiolysis under mega-electron-volt electron irradiation. The radiochemical yields are simulated using a new Geant4-DNA example. In particular, the influence of the new elastic scattering model recently developed is presented as well as the influence of improved electron thermalization models. The influence of a new chemistry constructor using parameters of another Monte Carlo track structure code is also described. The results calculated using these different models are compared with each other and with experimental data. For sub-mega-electron-volt electron simulations, the combination of the G4EmDNAPhysics_option2 physics constructor with the recently developed elastic scattering model, the Meesungnoen electron thermalization model, and the G4EmDNAChemistry_option1 chemistry constructor is recommended.