Analyzing the Impact of Solutes on PKA Spectrum for Simulation of Neutron Induced-Radiation Damage in Zr-Based Metals

Radiation-induced damage and degradation to shielding and structure materials in nuclear reactors is one of the key limiting factors that affect the safety considerations and the lifetime. Neutron radiation damages materials mainly by exciting a number of Primary Knock-on Atom (PKAs). PKAs induce displacement cascades, causing microstructure changes and mechanical degradations in materials. Computer simulations are used to model this complex process. Knowing the PKA spectrum accurately is important because PKA spectrum and the input of computer simulation are coupled. In this work, we aim to obtain the PKA spectrum in Zr-based alloys with relatively low Zr concentration by using the Geant4 software. Some new functions were added by reprogramming in Geant4. We found that the energy spectra of PKA in Zr₂Cu and Zr₂Ni are mainly caused by Zr atom, and the shape of the average energy spectra are similar with pure Zr. The number of PKA distributions and the energy deposition in these two Zr-based metals are similar with pure Zr but different than those in pure Ni. These finding indicate that the metallic elements of Cu and Ni have small impact on PKA spectrum in Zr-based alloys, which illustrate that simplified simulation models are feasible when using computer for simulating. Moreover, it has great significant for the calculation of irradiation damage and the computer simulation for the process of collision cascade after one PKA is formed.