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Synthesis, Thermodynamic Stability and Diffusion Mechanism of Al5Fe2-Based Coatings

Oxidation of Metals volume 81, pages 167–177 (2014)Cite this article

Abstract

Aluminide coating of steels enables more efficient power generation through higher operating temperatures. Low-temperature (T < 660 °C) pack cementation aluminide coatings form an Al5Fe2 phase which allows for the development of a large Al flux, but the mechanism is not clear. The coating structures and resultant oxides were examined in both austenitic and ferritic steels at 1,000 and 800 °C to evaluate the high temperature oxidation behavior in air. To understand the relatively fast Al diffusion, the stability of the Al5Fe2 phase and the defect structure have been examined by a cluster expansion method with density functional theory calculations. The Al5Fe2 phase has a low site occupancy and a high vacancy content that promotes rapid kinetics. The high vacancy concentration in the Al5Fe2 phase can be traced to the interaction between Al and vacancies along the [001] chains. The analysis offers useful guidance to enable an effective control of low temperature aluminizing.

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Acknowledgments

The support of NSF (Grant No. CMMI-0926796) is greatly appreciated. The computational support from the NSF XSEDE resources at TACC (Ranger) and the Center for High-Throughput Computing (CHTC) at the University of Wisconsin-Madison is gratefully acknowledged.

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Authors and Affiliations

  1. Department of Materials Science & Engineering, University of Wisconsin-Madison, 1509 University Ave., Madison, WI, 53706, USA

    R. Sakidja, J. H. Perepezko & P. Calhoun

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  1. R. Sakidja
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  2. J. H. Perepezko
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  3. P. Calhoun
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Correspondence to J. H. Perepezko.

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Sakidja, R., Perepezko, J.H. & Calhoun, P. Synthesis, Thermodynamic Stability and Diffusion Mechanism of Al5Fe2-Based Coatings. Oxid Met 81, 167–177 (2014). https://doi.org/10.1007/s11085-013-9463-2

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  • DOI: https://doi.org/10.1007/s11085-013-9463-2

Keywords

  • Aluminide coatings
  • Al5Fe2
  • Pack defect structure
  • Density functional theory