Effect of Chrome and Vanadium on the Behavior of Hydrogen and Helium in Tungsten

Tungsten is a promising material for nuclear fusion reactors, but its performance can be degraded by the accumulation of hydrogen (H) and helium (He) isotopes produced by nuclear reactions. This study investigates the effect of chrome (Cr) and vanadium (V) on the behavior of hydrogen and helium in tungsten (W) using first-principles calculations. The results show W becomes easier to process after adding Cr and V. Stability improves after adding V. Adding Cr negatively impacts H and He diffusion in W, while V promotes it. There is attraction between H and Cr or H and V for distances over 1.769 Å but repulsion below 1.583 Å. There is always attraction between He and Cr or V. The attraction between vacancies and He is stronger than that between He and Cr or V. There is no clear effect on H when vacancies and Cr or V coexist in W. Vacancies can dilute the effects of Cr and V on H and He in W.