Anomalous diffusion along metal/ceramic interfaces.

Kumar, Aakash; Barda, Hagit; Klinger, Leonid; Finnis, Michael W; Lordi, Vincenzo; Rabkin, Eugen; Srolovitz, David J · Nat Commun · 2018

basic_science · Level V

Where this comes from

Abstract

Interface diffusion along a metal/ceramic interface present in numerous energy and electronic devices can critically affect their performance and stability. Hole formation in a polycrystalline Ni film on an α-Al<sub>2</sub>O<sub>3</sub> substrate coupled with a continuum diffusion analysis demonstrates that Ni diffusion along the Ni/α-Al<sub>2</sub>O<sub>3</sub> interface is surprisingly fast. Ab initio calculations demonstrate that both Ni vacancy formation and migration energies at the coherent Ni/α-Al<sub>2</sub>O<sub>3</sub> interface are much smaller than in bulk Ni, suggesting that the activation energy for diffusion along coherent Ni/α-Al<sub>2</sub>O<sub>3</sub> interfaces is comparable to that along (incoherent/high angle) grain boundaries. Based on these results, we develop a simple model for diffusion along metal/ceramic interfaces, apply it to a wide range of metal/ceramic systems and validate it with several ab initio calculations. These results suggest that fast metal diffusion along metal/ceramic interfaces should be common, but is not universal.