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.