Dissolution energetics and its strain dependence of transition metal alloying elements in tungsten

We have systematically investigated the dissolution energetics of all 3d-5d transition metal alloying elements (AEs) in tungsten (W) using a first-principles method. It is found that Ti is the easiest one to dissolve with the solution energy of −0.81 eV in the intrinsic bulk W, while La is the most difficult one with the solution energy as large as 3.91 eV. The d-electrons play a determining role in the dissolution of AEs in W. We have demonstrated that the solution energies of AEs is a linear monotonic function of strain. The binding energy results indicate that the interaction between AEs is repulsive for the early elements and then becomes attractive for the late elements in each series. This study provides a good reference for developing W materials as a plasma facing material.