ISIJ International
Online ISSN : 1347-5460
Print ISSN : 0915-1559
ISSN-L : 0915-1559
Surface Treatment and Corrosion
Crystal Structure Analysis of Top Dross in Molten Zinc Bath by First Principles Calculation and Synchrotron X-ray Diffraction
Takeshi Konishi Hideaki SawadaTakashi DoiKohsaku Ushioda
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2021 Volume 61 Issue 3 Pages 929-936

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Abstract

In a molten zinc bath in a continuous galvanizing line, the top dross particles crystallize as a Zn-containing intermetallic Fe2Al5 compound, which generates surface defects in the final product by easily adhering to the steel sheets. The present study focused on analysis of the crystal structure of a top dross by first principles calculation and synchrotron X-ray diffraction of the top dross prepared in a laboratory. The following results were obtained: first principles calculation on the top dross suggested that two Al atoms at four of the partially occupied Al sites in the Fe2Al5 structure proposed by Mihalkovič et al., were replaced by two Zn atoms. In addition, the Al atoms at both the types of partially occupied Al sites in Fe2Al5 proposed by Burkhardt et al., were equally replaced by Zn atoms. The proposed crystal structure of the top dross was verified by conducting X-ray diffraction profile analysis using RIETAN-FP simulations as well as the experimentally determined lattice constant of the Zn-containing top dross.

Calculated X-ray diffraction profiles by RIETAN-FP.21) (a) Fe2Al5, (b) crystal structure when all the Fe atoms of Fe2Al5 are replaced by Zn atoms, (c) crystal structure when all the Al atoms at the AlI sites of Fe2Al5 are replaced by Zn atoms, (d) crystal structure when all the Al atoms at the AlII sites of Fe2Al5 are replaced by Zn toms, and (e) crystal structure when all Al atoms in AlIII sites of Fe2Al5 are replaced by Zn atoms. (f) Experimentally measured X-ray diffraction profile of sample 1 of the top dross. Fullsize Image
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© 2021 The Iron and Steel Institute of Japan.

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