Investigation of Viscosity and Melting Point for ZrO ₂ –TiO ₂ System

ABSTRACT The melting points of pure ZrO 2 , pure TiO 2 , and their binary systems were experimentally measured and calculated by molecular dynamics (MD) simulations. Moreover, the viscosity of the ZrO 2 –TiO 2 system was calculated using a CALPHAD (calculation of phase diagrams)‐type model combined with MD simulations. Specifically, the viscosities of (ZrO 2 ) 0.85 (TiO 2 ) 0.15 , (ZrO 2 ) 0.67 (TiO 2 ) 0.33 , (ZrO 2 ) 0.5 (TiO 2 ) 0.5 , and (ZrO 2 ) 0.28 (TiO 2 ) 0.72 liquids at 3173, 3273, and 3373 K were calculated by MD simulations. Subsequently, the viscosity of the ZrO 2 –TiO 2 system over wide temperature and composition ranges was predicted based on the CALPHAD‐type model. A comprehensive viscosity database for the ZrO 2 –TiO 2 high‐temperature liquids was established, laying an essential foundation of predicting the high‐temperature fluidity of relevant materials.