Insights into Glass-Forming Ability and Elastic Modulus of Al2O3-SiO2-CaO Inclusion-Type Oxides from Molecular Dynamics and Thermodynamic Calculation

In Si-killed steels, especially tire cord steel, the low-liquidus-temperature control technology for non-metallic inclusions had limitations in effectively addressing the issue of wire breakage. During the solidification of molten steel, oxide inclusions within the Al₂O₃-SiO₂-CaO-based system could demonstrate crystallization or glass-forming behavior. The inherent disparities in properties between glassy and crystalline inclusions significantly influenced their deformation behavior during rolling process. Molecular dynamics and thermodynamic calculation provided the insight that the glass-forming ability could be precisely controlled by carefully manipulating the CaO/SiO₂ ratio and Al₂O₃ content. Meanwhile, the advantage of glassy inclusions, which possessed a lower elastic modulus compared to crystalline inclusions, was verified through calculations. In addition, the Young modulus of glass differed from its glass-forming ability, which was not only determined by network connectivity but also influenced by density. The CaAl₂(SiO₄)₂ phase stood as the most optimal choice for the composition controlling of Al₂O₃-SiO₂-CaO inclusions crystallization. These profound insights could serve as a solid theoretical foundation for enhancing inclusion controlling strategies.