Fig. 3
From: Hydrogen embrittlement of grain boundaries in nickel: an atomistic study
Atomic structures of the ∑5(310)[001] GB with a full H coverage before and after fracture. a The side view of the relaxed GB before fracture, with all the deltahedral holes occupied by interstitial H atoms, and b the corresponding cross-sectional view (cut through the blue dashed line in a). The colored polyhedra in b indicate the different packing units at the GB (see definitions in Fig. 1). c The relaxed structure of the fractured GB; the cleavage plane is indicated by the red solid line in a; surface atoms are marked by a–f for finding the counterparts in a. Atoms are colored by the coordination number [29]
