Atomistic investigation of the impact of phosphorus impurities on the tungsten grain boundary decohesion
In the present work, we have generated a new second-nearest neighbour modified embedded atom method potential (2NN-MEAM) for the W–P system to investigate the impact of P impurity segregation on the strength of symmetric ⟨110⟩ tilt coincident site lattice grain boundaries (GBs) in tungsten. By incorporating the impurity- induced reduction of the work of separation in the fitting strategy, we have