Molecular Dynamics Simulations of Electroslag Remelting Slag under Electric Field: CaF 2 -Al 2 O 3 -Tio 2

Understanding the microstructure of electroslag remelting slag helps optimize the slag composition and the ESR process, so as to improve the product quality. This study employed molecular dynamics simulation to investigate the microstructure of ESR slag CaF 2 -Al 2 O 3 -TiO 2 under an electric field, and the effects of slag composition, electric field strength, and temperature on the microstructure and properties of the slag were analyzed. The results show that the skeleton structure of ESR slag CaF 2 -Al 2 O 3 -TiO 2 under an electric field is Al-O and Ti-O structure, and increasing TiO 2 content in slag will reduce the polymerization degree of slag, which is conducive to reducing the viscosity of slag. The presence of an electric field will weaken the interaction between the Ti and F atomic pair, but will not change the basic structure of the slag. In the slag, the diffusion ability of F is the strongest, and when the temperature rises from 1973 K to 2173 K, the diffusion ability of F is significantly enhanced, which will reduce the viscosity of the slag. This study has guiding significance for the understanding of microstructure and prediction of macroscopic properties of ESR slag CaF 2 -Al 2 O 3 -TiO 2 under the action of the electric field, which is helpful for the development of ESR slag system to improve the production and smelting effect, and then improve the quality of electroslag remelting products.