Effects of lattice and mass mismatch on primary radiation damage in W-Ta and W-Mo binary alloys

The fundamental mechanisms of radiation damage in metal alloys of equiatomic composition are of great research interest due to the possibility to use them as new materials for radiation-hard environments. With W-Ta and W-Mo alloys as examples, this study investigates the effect of two factors, namely the difference in lattice parameters and the difference in masses of the constituent elements, on primary radiation damage by means of atomistic simulations. We compare the trends obtained with the available embedded atom method (EAM) interatomic potential and the tabulated Gaussian approximation potential (tabGAP). We observe a similar trend in the number of surviving defects as a function of alloy composition in W-Mo for both potentials, while the absolute numbers are fairly different. The tabGAP predicts higher resistance to irradiation, i.e. fewer surviving defects after the cascades. On the contrary, the trends of the dependence of surviving defects on alloy composition in W-Ta alloys are very different in the two potentials. We explain this difference by analyzing the threshold displacement energies (TDE) and melting temperatures in these alloys. The mass difference in W-Mo alloys results in Mo atoms with higher TDE in W-Mo alloys. The effect of the lattice parameter mismatch in W-Ta alloys is visible in the change of the number of surviving defects with increase of the W content in W-Ta alloys.Peer reviewe