Effect of Magnetic Field on CaO-SiO2-CaF2 Mould Flux: New Insight from Molecular Dynamic Simulation

Mould flux is of great importance in the metal continuous casting process, and mainly the calcium fluoride is always added. On the other hand, electromagnetic field is also used in the mould for improving the quality of metal. Thus, the knowledge of the structural and transported properties of CaO-SiO2-CaF2 flux under magnetic field are relevant properties for industry applications for the sake of prevention of operation problem and product defect. In this paper, molecular dynamics is used to investigate the effect of magnetic field on the CaO-SiO2-CaF2 fluxes at 1773 K, applying 12 models changed on their chemical compositions and intensities of magnetic field. The results show that the magnetic field can increase the complexity of micro-structures and the mobility of F- ion in fluxes, revealing the growth of summation of Q(3) and Q(4) species as the intensity of magnetic climbing, as well as with the concentration of bridging oxygen rising.