Effect of CaF₂@SiO₂ on Si₃N₄/TiC Composite Ceramic Materials: Molecular Dynamics Analysis and Material Preparation

Abstract

Molecular dynamics simulations allow to investigate the microscopic evolution of a structure, and can also point the way to tool material design. In this paper, the effect of adding CaF2 and CaF2@SiO2 on the Si3N4/TiC system is studied using molecular dynamics simulations. The results show that the system with the addition of CaF2@SiO2 to the model has a higher hardness than the system with the addition of CaF2. In order to obtain the optimum parameters for self-lubricating ceramic tools, the effect of adding different amounts of CaF2@SiO2 on the Si3N4/TiC system was investigated. The Si3N4/TiC/CaF2@SiO2 system achieved optimum mechanical properties when four CaF2@SiO2 were included in the model. By analyzing the effect of the sintering temperature on the system, it was deduced that the hardness achieved a maximum value of 15.89 GPa and the modulus of elasticity reached 132.53 GPa when the sintering temperature was at 2073 K. Based on this sintering parameter, the Si3N4/TiC/CaF2@SiO2 composite ceramic tool material was experimentally prepared with the mechanical properties of 15.66 GPa hardness and 128.08 GPa modulus of elasticity. The experimental results were consistent with the simulation results.

Keywords

• ceramic matrix composites
• molecular dynamics
• modelling
• mechanical properties