A Comprehensive Investigation on the Microstructure and Thermal Conductivity of CaO-Al2O3 Based Mold Slags: Equilibrium Molecular Dynamics Simulations

Z Wang and GH Wen and Q Liu and P Tang and WB Jiang and SH Huang, METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE, 52, 1574-1581 (2021).

DOI: 10.1007/s11663-021-02124-7

The microstructure and thermal conductivity of the CaO-Al2O3-based (CA- based) mold slags are crucial for casting high aluminum steel. Herein, the microstructure and thermal conductivity of the CA-based mold slags were systematically investigated by using molecular dynamics (MD). Moreover, the effects of the CaO/Al2O3 mole (C/A) ratio and CaO/SiO2 mole (C/S) ratio on the microstructure and thermal conductivity of CA- based mold slags were studied. The results showed that the Al-O structure plays a skeleton role in the CA-based mold slags. The thermal conductivity of molten CA-based mold slags increases first and then decreases with increasing C/A ratio. The thermal conductivity of molten CaO-Al2O3-SiO2-MgO-Na2O (CASMN) slag is affected by the combination of short- and medium-range order structures.

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