Anomalous diffusion along metal/ceramic interfaces

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

4 Scopus Citations
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Author(s)

  • Aakash Kumar
  • Hagit Barda
  • Leonid Klinger
  • Michael W. Finnis
  • Vincenzo Lordi
  • Eugen Rabkin

Detail(s)

Original languageEnglish
Article number5251
Journal / PublicationNature Communications
Volume9
Issue number1
Early online date7 Dec 2018
Publication statusE-pub ahead of print - 7 Dec 2018

Link(s)

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.

Research Area(s)

Citation Format(s)

Anomalous diffusion along metal/ceramic interfaces. / Kumar, Aakash; Barda, Hagit; Klinger, Leonid; Finnis, Michael W.; Lordi, Vincenzo; Rabkin, Eugen; Srolovitz, David J.

In: Nature Communications, Vol. 9, No. 1, 5251, 07.12.2018.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

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