Diffusion Behaviors of Hydrogen Isotopes in Incoloy 800H: A First-Principles Study

Figure 2

(a–c) The octahedral site surrounded by different base atoms. (a) The adjacent atoms are Fe and Ni (O-FeNi). (b) The adjacent atoms are Fe and Cr(O-FeCr). (c) The adjacent atoms are Fe, Cr, and Ni (O-FeCrNi). (d) The single tetrahedral site (Te). In all figures, white atoms represent H impurities. To represent the vacancy site more clearly, only the adjacent atoms are shown in these figures.

(a)

(b)

(c)

(d)