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

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.

Automated summary

This study systematically investigated the microstructure and thermal conductivity of CaO-Al2O3-based mold slags. It was found that the Al-O structure plays a crucial role in CA-based mold slags and the thermal conductivity changes with the C/A ratio. The thermal conductivity of molten CASMN slag is affected by the combination of short- and medium-range order structures.