Anomalous diffusion along metal/ceramic interfaces

Aakash Kumar (), Hagit Barda, Leonid Klinger, Michael W. Finnis, Vincenzo Lordi, Eugen Rabkin () and David J. Srolovitz ()
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Aakash Kumar: University of Pennsylvania
Hagit Barda: Technion - Israel Institute of Technology
Leonid Klinger: Technion - Israel Institute of Technology
Michael W. Finnis: Imperial College
Vincenzo Lordi: Lawrence Livermore National Laboratory
Eugen Rabkin: Technion - Israel Institute of Technology
David J. Srolovitz: University of Pennsylvania

Nature Communications, 2018, vol. 9, issue 1, 1-8

Abstract: 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-Al2O3 substrate coupled with a continuum diffusion analysis demonstrates that Ni diffusion along the Ni/α-Al2O3 interface is surprisingly fast. Ab initio calculations demonstrate that both Ni vacancy formation and migration energies at the coherent Ni/α-Al2O3 interface are much smaller than in bulk Ni, suggesting that the activation energy for diffusion along coherent Ni/α-Al2O3 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.

Date: 2018
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DOI: 10.1038/s41467-018-07724-7

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