Molecular dynamics simulation analysis of energy deposition on the evolution of single crystal silicon defect system

The understanding of the evolution of subsurface damage layer (SDL) in monocrystalline silicon materials following energy deposition holds significant importance in guiding the service process of single-crystal silicon devices. Therefore, on the basis of previous studies on defect generation and evolution of perfect monocrystalline silicon system, the structure evolution of monocrystalline silicon nano-grinding defect system after energy deposition was analyzed by molecular dynamics simulation. The results show that with the energy deposition, part of the crystal structure undergoes a phase transformation, which leads to the increase in the volume of the material and the surface bulge. The thickness of the subsurface damage layer gradually increases, reaches a maximum at a power density of 15x10(8) W/cm(2), and then decreases before increasing again. The impact of energy deposition on surface roughness exhibits an initial gradual increase followed by a subsequent decrease. The work reveals the evolution of sedimentary systems at the atomic level, thus contributing to the application of ultra-precision monocrystalline silicon mirrors and telescopes.