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

<div>(a) The cell of face-centered cubic iron with two Fe atoms replaced by a Cr atom and an Ni atom. (b) 2 × 2 × 2 face-centered cubic supercell. In all figures, green atoms represent Fe, yellow Ni atoms, and orange Cr atoms.</div>

Science and Technology of Nuclear Installations

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Figure 1

Figure 1: Diffusion Behaviors of Hydrogen Isotopes in Incoloy 800H: A First-Principles Study 