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Journal articles

September 2022

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

Haowei Xu, So Yeon Kim, Di Chen, Jean‐Phillippe Monchoux, Thomas Voisin, Cheng Sun, Ju Li

Abstract

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 E emb ${\mathcal{E}}_{\mathrm{emb}}$ 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 E emb ${\mathcal{E}}_{\mathrm{emb}}$ is a good ab initio predictor of He shielding potency in nano-heterophase materials, and thus, E emb ${\mathcal{E}}_{\mathrm{emb}}$ 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 E emb ${\mathcal{E}}_{\mathrm{emb}}$ , 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.

Acknowledgements

This work was supported by Eni S.p.A. through the MIT Energy Initiative. S.Y.K. gratefully acknowledges partial financial support by the Kwanjeong Scholarship. C. S. acknowledges the support by the U.S. Department of Energy, Laboratory Directed Research and Development (LDRD) program at Idaho National Laboratory, under contract No. DE‐AC07‐051D14517. T.V. acknowledges the auspices of the U. S. Department of Energy by Lawrence Livermore National Laboratory under contract No. DE‐AC52‐07NA27344. The calculations in this work were performed in part on the Texas Advanced Computing Center (TACC) and MIT engaging cluster.

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Professor
Department of Nuclear Science and Engineering

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