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Anomalous diffusion along metal/ceramic interfaces
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DOI：10.1038/s41467-018-07724-7.png)
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摘要
En 中文
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 alpha-Al2O3 substrate coupled with a continuum diffusion analysis demonstrates that Ni diffusion along the Ni/alpha-Al(2)O(3 )interface is surprisingly fast. Ab initio calculations demonstrate that both Ni vacancy formation and migration energies at the coherent Ni/alpha-Al2O3 interface are much smaller than in bulk Ni, suggesting that the activation energy for diffusion along coherent Ni/alpha-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.
Keyword:
INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
SOLID-SOLID INTERFACE
AL THIN-FILMS
GRAIN-BOUNDARY
THERMODYNAMIC ADHESION
INTERPHASE BOUNDARIES
TRACER DIFFUSION
GROWTH
OPPORTUNITIES
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期刊
IF:
15.7
论文数:
9.3W
被引数:
91.2W
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