Table 1 H trapping sites and binding energy (eV per atom)
From: Hydrogen embrittlement of grain boundaries in nickel: an atomistic study
EAM potential | Experiment27 | |
|---|---|---|
Molecular binding energy E H | −2.37 | |
Bulk: tetrahedron | −1.79 | −2.05 |
octahedron | −2.20 | |
(111) surface: top | −2.62 | −2.70 |
three-fold | −2.71 |
