Analytical W–He and H–He interatomic potentials for a W–H–He system

Abstract We have constructed W–He and H–He analytical bond-order potentials for a W–H–He system. In combination with the previously self-developed W–H potential [X.-C. Li, X. Shu, Y.-N. Liu, F. Gao, G.-H. Lu, J. Nucl. Mater. 408 (2011) 12] and the Hartree–Fock-dispersion pair potential (Aziz-potential) for He−He interactions, we demonstrate that such potentials behave well for reproducing various properties of the W–H–He system such as defect formation energies, structural properties, and diffusion barriers. Such potentials can be employed to model both the He behaviours and the H–He synergetic effects in the W–H–He system.