First-Principles Calculation of CaO–Al2O3–CaF2 Slag

To guide the development of CaO–Al 2 O 3 -based non-reactive mold flux for low-density high-strength steel production, CaO–Al 2 O 3 –CaF 2 slags were calculated by first-principles molecular dynamics. The results showed that the stability order of corresponding bonds was Al–O > Ca–F > Ca–O >...

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Veröffentlicht in:	Metallurgical and materials transactions. B, Process metallurgy and materials processing science Process metallurgy and materials processing science, 2024-02, Vol.55 (1), p.105-113
Hauptverfasser:	Zhang, Chen, Wu, Ting, Lei, Jie, Wang, Hai-chuan, Wang, Qian
Format:	Artikel
Sprache:	eng
Schlagworte:	Aluminum Aluminum oxide Calcium fluoride Calcium oxide Characterization and Evaluation of Materials Charge transfer Chemistry and Materials Science Continuous casting Depolymerization Dilution Dynamic stability First principles High strength steel High strength steels Materials Science Mathematical analysis Metallic Materials Mold fluxes Molecular dynamics Nanotechnology Original Research Article Polymerization Simulation Slag Steel production Structural Materials Surfaces and Interfaces Thin Films Viscosity
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