Dependence of the M choice on the properties of Hf(M)SiCN (M = Nb, Ta, Ti, Zr) ceramic coatings: ab-initio and experimental study

The HfMSiCN coatings (M = Nb, Ta, Ti, Zr) are researched using ab-initio theoretical method and double glow plasma surface alloying. The aim is to enhance the high temperature stability and wear resistance of these coatings, alongside optimizing mechanical and thermodynamic properties. Firstly, the calculated mechanical properties for Hf0.5M0.5CN correlate with those experimental measurement for HfMSiCN. Secondly, the thermodynamic parameters exhibit that the Hf0.5Zr0.5CN has the lowest thermal expansion coefficient and higher bulk modulus at high-temperatures. Moreover, the wear rate of HfZrSiCN at 500 ℃ is less than 60% of its wear rate at 300℃. The superior wear resistance of HfZrSiCN coating is attributed to a friction-induced composite layer including a dense amorphous nanocomposite surface layer and a nano-friction glaze layer supported by nanograins.