Calculated atomic arrangement and impurity bonding at a $\kappa $-Alumina -- Al(771) interface.

First principles optimization of a $\kappa $-Alumina -- Al(771) superlattice shows that the incompliant oxide causes substantial disorder in the adjacent, soft metal layers. An H ``probe atom'' is found to bind best in the disrupted metal region, suggesting that this is the locus of initial failure of a protective oxide layer.