Abstract
In this work, the distribution and segregation behaviors of helium (He) and the effect of yttrium (Y) on these behaviors in the symmetrical tilt tungsten (W) Σ5(310)/[001] grain boundary (GB) region were studied using first-principles calculations. The results revealed that the GB has a significant impact on the behaviors of He in W. The solution and segregation energies of He in the W Σ5(310)/[001] GB region increase with increasing the distance from He to the GB and are inversely proportional to the effective electrons of He. The density of states analysis showed that the GB can suppress partial hybridization between He and W atoms. In addition, we find that the strengthening element Y facilitates the dissolution of He in the W GB region.
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