Modeling and simulation of boron-doped nanocrystalline silicon carbide thin film by a field theory

This paper presents the application of a multiscale field theory in modeling and simulation of boron-doped nanocrystalline silicon carbide (B-SiC). The multiscale field theory was briefly introduced. Based on the field theory, numerical simulations show that intergranular glassy amorphous films (IGFs) and nano-sized pores exist in triple junctions of the grains for nanocrystalline B-SiC. Residual tensile stress in the SiC grains and compressive stress on the grain boundaries (GBs) were observed. Under tensile loading, it has been found that mechanical response of 5 wt% boron-SiC exhibits five characteristic regimes. Deformation mechanism at atomic scale has been revealed. Tensile strength and Young's modulus of nanocrystalline SiC were accurately reproduced.