Theoretical Calculation and Analysis of Physical and Mechanical Properties of WC-Co Cemented Carbide with Lanthanum

Doping rare earth elements in WC-Co cemented carbide can make the additives and the original elements form a complex structure, thus further strengthening the overall structure and improving the comprehensive properties of cemented carbide. In this paper, the rare earth element La is added to the cemented carbide WC-Co. Through the construction of atomic cell and interface, the influence of La element on WC-Co cemented carbides is analyzed. The influence law of La atom on other atoms is explained according to analyze the adhesion work, reaction enthalpy, electronic state density and charge density. The results show that more covalent bonds are generated near lanthanum atoms at the interface junction, which enhances the interface bonding strength, makes the whole structure more stable, and the unit cell doped with La element has better stability and improves the overall toughness. The calculation results can provide data for enhancing the performance of cemented carbides and provide a theoretical basis for doping rare earth lanthanum in WC-Co cemented carbides in the future.