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Atomic-Scale Investigation on the Formation of MgAl2O4–MnS Inclusions in 304 Stainless Steel Based on Multi-scale Characterization and First-Principle Calculation

  • Topical Collection: 2023 Metallurgical Processes Workshop for Young Scholars
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Abstract

Inclusions in steel have an important effect on steel properties. Al2O3 is a common inclusion in steel, resulting in stress concentration in steel products. Mg treatments can transform Al2O3 into small and dispersed MgAl2O4 inclusions, which can serve as the nucleation center for MnS to form MgAl2O4–MnS composite inclusions. In this study, based on multi-scale characterization of the chemical composition, phase, and structure of the interface of the MgAl2O4–MnS composite inclusions, the mechanism of the formation of MgAl2O4–MnS composite inclusions was revealed by first-principles calculations. Firstly, the chemical composition, morphology, and crystal structures of the composite inclusions were determined by scanning electron microscope and energy dispersive spectrometer (SEM-EDS) and X-ray diffraction (XRD). Secondly, the MgAl2O4–MnS inclusions were micro-sectioned by SEM and focus ions beam (FIB) to explore their interface. The high-resolution transmission electron microscopy (HTEM) analysis showed that the orientation relationship between MgAl2O4 and MnS was MgAl2O4 (111)//MnS (200). Finally, the electronic structures and adsorption energy of the atoms of Mn and S on the low exponential structures ((100), (110), and (111)) of MgAl2O4 with different initial positions were investigated by first principles. It is determined that the most stable adsorption structure can be obtained following the path of adsorbing Mn first and then S on the (111) surface of MgAl2O4. The characterization from multi-scale revealed the formation mechanism of MgAl2O4–MnS composite inclusion. The theoretical calculation and the experimental results are in good agreement.

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Acknowledgments

This work was financially supported by the National Natural Science Foundation of China (No. 51874061 and No. 52074056), Natural Science Foundation of Chongqing (No. cstc2020jcyj-msxmX0449), Excellent Youth Foundation of Hebei Province, China (No. E2021209039), Hebei Financial Support Project for the Introduced Overseas Student (No. C20210309), and Financial supports from Tangshan Science and Technology Bureau for Fundamental Innovation Team of High Quality Clean Steel in Tangshan (No. 21130209D).

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Authors and Affiliations

  1. College of Metallurgy and Energy, North China University of Science and Technology, Tangshan, 063000, Hebei, P.R. China

    Qian Meng, Mingfeng Shao, Min Tan, Tao Li & Liying Ju

  2. College of Materials Science and Engineering, Chongqing University, 400044, Chongqing, P.R. China

    Xiaopei Guo

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  1. Qian Meng
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Correspondence to Min Tan or Tao Li.

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Meng, Q., Guo, X., Shao, M. et al. Atomic-Scale Investigation on the Formation of MgAl2O4–MnS Inclusions in 304 Stainless Steel Based on Multi-scale Characterization and First-Principle Calculation. Metall Mater Trans B (2024). https://doi.org/10.1007/s11663-024-03061-x

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