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>Crystal Structure Analysis of Top Dross in Molten Zinc Bath by First Principles Calculation and Synchrotron X-ray Diffraction
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Crystal Structure Analysis of Top Dross in Molten Zinc Bath by First Principles Calculation and Synchrotron X-ray Diffraction
In a molten zinc bath in a continuous galvanizing line, the top dross particles crystallize as a Zn-containing intermetallic Fe_(2)Al_(5) 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 Fe_(2)Al_(5) structure proposed by Mihalkovi? et al. , were replaced by two Zn atoms. In addition, the Al atoms at both the types of partially occupied Al sites in Fe_(2)Al_(5) 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.
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