Simulation Study on Defect Damage Behavior of Fe under Irradiation Environment

Abstract

Abstract As a commonly used structural material in nuclear power plants, Reactor pressure vessel (RPV) steel is subjected to high-energy neutron irradiation from the reactor core for a long time, and the service environment is harsh. The accumulation of point defects (interstitial atoms and vacancies) generated by irradiation over a long period can seriously affect the microstructure of the material. The macroscopic properties of the material changed until the material failed, which threatened the safety and operation stability of nuclear power plants. This paper used the method of molecular dynamics to simulate the cascade collision process of Fe in the irradiation environment. The relationship between different factors and radiation damage defects was studied. Firstly, the quantity of the Frenkel pairs increases rapidly in the irradiation environment, and then recombination occurs after reaching the peak, which makes the quantity of the Frenkel pairs decrease rapidly. Finally, the quantity of Frenkel pairs is in a stable trend. When PKA energy and temperature increase, the higher the quantity of Frenkel pairs at the peak is, the higher the recombination rate of defects is. Meanwhile, the larger the cluster size of interstitial atoms and vacancies is, the greater the corresponding quantity of clusters is. As PKA energy increases, the quantity of residual Frenkel pairs at stability increases, while the number of residual Frenkel pairs at stability decreases with temperature. This is attributed to the intense thermal motion of molecules at high temperatures, resulting in the quantity of Frenkel pairs decreasing at the stable stage. Therefore, by simulating the irradiation damage process of Fe, the prediction of material irradiation damage under a neutron irradiation environment is provided, and the service life of materials can be provided with theoretical guidance.