文摘
Maintaining the safety and reliability of nuclear engineering materials under a neutron irradiation environment is significant. Atomic-scale simulations are conducted to investigate the mechanism of irradiation-induced vacancy formation in CLAM, F82H and α-Fe with different neutron energies and objective laws of the effect of vacancy concentration on mechanical properties of α-Fe. Damage of these typical metal engineering materials caused by neutrons is mainly displacement damage, while the displacement damage rate and the non-ionizing effect of neutrons decrease with the increase of neutron energy. The elastic modulus, yield strength, and ultimate strength of α-Fe are in the order of magnitude of GPa. However, the elastic modulus is not constant but decreases with the increase of strain at the elastic deformation stage. The ultimate strength reaches its maximum value when vacancy concentration in α-Fe is 0.2%. On this basis, decreasing or increasing the number of vacancies reduces the ultimate strength. Keywords Monte Carlo molecular dynamics neutron irradiation displacement damage rate mechanical properties