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Atomic Cluster Aggregates in Nucleation of Solid Alumina Inclusion in the Aluminum Deoxidation for Liquid Iron

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Abstract

Nucleation plays a decisive role in determining the structure and size distribution of a solid inclusion particle in liquid iron. The literature does not yet provide a clear picture about the pathway leading to solid alumina inclusion from liquid iron. The main confusion surrounds the little-known structures and thermodynamic properties of metastable alumina phase (MAP) that appear in the nucleation of alumina inclusion. In this work, it is suggested that MAP could appear in the Al-deoxidation reaction, based on the summaries and analysis in terms of various equilibrium experimental results and thermodynamic modeling of the Al deoxidation in liquid iron since the 1950s. The structures and thermodynamic properties of a species of MAP, alumina atomic cluster aggregates (AACAs), are calculated by density functional theory (DFT) methods. The thermodynamics on formation and transformation of AACAs shows that AACAs are in equilibrium with Al and O with various contents measured in the Al-deoxidation equilibrium experiments for liquid iron. It is suggested that the residual Al and O, which cannot nucleate, appear in the form of AACAs in Al-deoxidized liquid iron. It can be concluded that AACAs are the metastable intermediates and structural units for alumina inclusion nucleating from liquid iron. Thus, the behaviors of AACAs are important to the control of the nucleation rate of alumina inclusions in the Al deoxidation for liquid iron.

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Acknowledgments

The authors gratefully express their appreciation to the Natural Science Foundation of Liaoning Province (Grant No. 2015020181), the Natural Science Foundation of China (Grant No. 51634004), and the Natural Science Foundation of China (Grant No. 51474125) for supporting this work.

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Authors and Affiliations

  1. School of Materials and Metallurgy, University of Science and Technology Liaoning, Anshan, 114051, Liaoning, P.R. China

    Guocheng Wang, Yuanyou Xiao, Changming Zhao & Jing Li

  2. Key Laboratory of Chemical Metallurgy Engineering Liaoning Province, University of Science and Technology Liaoning, Anshan, 114051, Liaoning, P.R. China

    Guocheng Wang, Changming Zhao & Jing Li

  3. Anshan Iron and Steel Group Company, Anshan, 114021, Liaoning, P.R. China

    Deli Shang

Authors
  1. Guocheng Wang
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  2. Yuanyou Xiao
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  3. Changming Zhao
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  4. Jing Li
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  5. Deli Shang
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Correspondence to Guocheng Wang.

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Manuscript submitted October 5, 2016.

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Wang, G., Xiao, Y., Zhao, C. et al. Atomic Cluster Aggregates in Nucleation of Solid Alumina Inclusion in the Aluminum Deoxidation for Liquid Iron. Metall Mater Trans B 49, 282–290 (2018). https://doi.org/10.1007/s11663-017-0973-1

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