Presentation Information
[1C10]Effect of hydrogen trapping on the stability of the α-Al2O3(0001)/Fe(110) interface
*Yuji Kunisada1, Youngseok Hwang1, Norihito Sakaguchi1 (1. Faculty of Engineering, Hokkaido University (Japan))
Fusion energy is a promising carbon-neutral energy source, but tritium permeation through structural materials remains a critical issue for reactor safety and fuel retention. α-Al2O3 is a promising tritium permeation barrier (TPB) because of its excellent chemical stability and low hydrogen permeability. In this study, first-principles calculations based on density functional theory were performed to investigate hydrogen trapping and hydrogen-induced interfacial decohesion at the α-Al2O3(0001)/Fe(110) interface. We revealed that the hydrogen impurity formation energies vary depending on the trapping sites, because of the incoherent interface. The calculated cleavage energy decreased monotonically with increasing hydrogen concentration, indicating that hydrogen accumulation promotes interfacial decohesion. These findings provide an atomistic understanding of hydrogen-induced degradation at oxide/metal interfaces.
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