Elastoplastic deformation analysis of 3C-SiC film on 6H-SiC surface based on molecular dynamics nano-indentation simulation

In order to investigate the deformation of 6H-SiC nano-indentation dislocations with 3C-SiC films covered by cubic indenters at high temperature, a 6H-SiC model with 3C-SiC films covered by cubic indenters was constructed by molecular dynamics simulation. In this simulation, the appropriate ensemble was selected, the potential function parameters were set, the crystal structure was optimized, and the relaxation state of the indentation process was processed. The nano-indentation simulation of 3C-SiC film with 1 nm, 3 nm and 5 nm thickness was carried out to analyze the strain, dislocation and length of 3C-SiC film with different thicknesses. The 3C-SiC film can effectively limit the diamond indenter into 6H-SiC substrate. As the thickness of 3C-SiC film increases, dislocation rings will form in the film layer and affect the formation of dislocation rings in 6H-SiC substrate, resulting in different indentation results. This phenomenon reveals the elastic–plastic deformation and expansion mechanism of indentation damage process of 3C-SiC film with different thicknesses.Graphical abstract