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Pt effects in γ-Ni(Al)/α-Al2O3 adhesion

  • Interface Science in Thermal Barrier Coatings
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Abstract

We present a systematic first-principles density-functional theory (DFT) study of the effects of Pt on the adhesion of the γ-Ni(Al)/α-Al2O3 interface, in a close comparison with those of Hf and S. Both the thermodynamically preferred Al-rich and the stoichiometric interfaces are considered. S is found to segregate to and substantially weaken both interfaces. Hf can pin S in bulk γ-Ni even at temperatures as high as 1,600 K, effectively inhibiting S segregation, while Pt cannot, due to phonon effects. For the stronger, Al-rich interface, both Hf and Pt have larger heats of segregation than S, inhibiting S segregation through preferential segregation. For the weaker, stoichiometric interface, Hf can significantly strengthen its adhesion to be as large as that of the Al-rich interface, and also inhibit S segregation through preferential segregation. Pt, as a contrast, can neither inhibit S segregation nor directly enhance the interface bonding.

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Acknowledgements

The authors are grateful for Air Force Office of Scientific Research (AFOSR) support from Grant No.FA9550-05-C-0039 and many helpful discussions with X.-G. Wang and W. Zhang. We gratefully acknowledge the HRTEM micrograph of Fig. 2 sent to us by Rühle M. (See [40]).

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Authors and Affiliations

  1. Materials Department, University of California, Santa Barbara, CA, 93106, USA

    Yong Jiang & John R. Smith

  2. Chemical and Mechanical Engineering Department, University of California, Santa Barbara, CA, 93106, USA

    Yong Jiang

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  1. Yong Jiang
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  2. John R. Smith
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Correspondence to Yong Jiang.

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Jiang, Y., Smith, J.R. Pt effects in γ-Ni(Al)/α-Al2O3 adhesion. J Mater Sci 44, 1734–1740 (2009). https://doi.org/10.1007/s10853-008-3084-1

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  • DOI: https://doi.org/10.1007/s10853-008-3084-1

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