Effects of self-interstitial atom on behaviors of hydrogen and helium in tungsten

Abstract

Neutron irradiation induces a large number of vacancies and self-interstitial atoms (SIAs) that interact with hydrogen atoms (H) and degrade the mechanical properties of tungsten (W) in a fusion environment. Vacancies increase free space and trap H atoms, however, the effects of SIAs on trapping H atoms are still unclear since SIAs decrease free space. We therefore perform systematical ab initio calculations to study the interactions of SIAs and SIAs clusters with H atoms in W. Our results suggest that SIA dumbbell makes interstitial H atoms easy to accumulate in W. With accumulation of H atoms near a SIA dumbbell, the binding energy decreases firstly and then levels off at about 0.3 eV. For comparison, the interactions of SIAs and SIAs clusters with helium (He) atoms are considered. It is found that SIAs and SIAs clusters can also act as trapping centers for interstitial He atoms. The combinations of SIAs with H and He hinder the fast movement of SIAs in W to annihilate with vacancies, increasing the concentrations of SIAs and vacancies in grain. SIAs and vacancies provide more sites for trapping H and He atoms and thus increase irradiation damage in W. We therefore suggest reducing retention of H isotopes and He in W to suppress irradiation damage.