Materials Genomics Search for Possible Helium‐Absorbing Nano‐Phases in Fusion Structural Materials

Civilian fusion demands structural materials that can withstand the harsh environments imposed inside fusion plasma reactors. The structural materials often transmute under 14.1 MeV fast neutrons, producing helium (He), which embrittles the grain boundary (GB) network. Here, it is shown that neutron‐friendly and mechanically strong nano‐phases with atomic‐scale free volume can have low He‐embedding energy [Formula: see text] and >10 at.% He‐absorbing capacity, and can be especially advantageous for soaking up He on top of resisting radiation damage and creep, provided they have thermodynamic compatibility with the matrix phase, satisfactory equilibrium wetting angle, as well as a high enough melting point. The preliminary experimental demonstration proves that [Formula: see text] is a good ab initio predictor of He shielding potency in nano‐heterophase materials, and thus, [Formula: see text] is used as a key feature for computational screening. In this context, a list of viable compounds expected to be good He‐absorbing nano‐phases is presented, taking into account [Formula: see text] , the neutron absorption and activation cross‐sections, the elastic moduli, melting temperature, the thermodynamic compatibility, and the equilbrium wetting angle of the nano‐phases with the Fe matrix as an example.