Subsurface damage mechanism of high speed grinding process in single crystal silicon revealed by atomistic simulations

Atomic-scale strengthening mechanism of dislocation-obstacle interaction in silicon carbide particle-reinforced copper matrix nanocomposites

“…For the interaction between Cu atom and C atom, the cohesion energy D, the elastic modulus α and the equilibrium bond distance r 0 are 0.087 eV, 5.14 Å -1 and 2.05 Å [35], respectively. For the interaction of Cu atom with Si atom, D, α and r 0 are 0.435 eV, 4.6487 Å -1 and 1.9475 Å [36], respectively.…”

Investigation into diffusion induced plastic deformation behavior in hollow lithium ion battery electrode revealed by analytical model and atomistic simulation

“…Lithium ion inserts the perfect crystal structure for silicon electrode, and this process leads crystal structure distortion for silicon electrode to produce the hydrostatic stress field, causing the silicon atom slipping and the dislocation nucleation [36,37]. This sustained reaction produces more lithiated phases and drives the interface move further into the silicon electrode, see Fig.…”

“…On the other hand, the continuum finite element method [36,37] used for simulating the lithiation process is very difficult to accurately determine the plastic zone due to ignoring the diffusion induced microstructure evolution including the dislocation nucleation, the phase and the vacancy [36,37] in monocrystalline silicon. Hence, MD simulations maybe give the interesting phenomenon to describe the nanoscale lithiation process because this method has been proved as a reliable and efficient approach to reveal the microstructure evolution [36,37]. Fig.…”

Anisotropy of Single-Crystal Silicon in Nanometric Cutting

“…However, single-crystal silicon is of prominent anisotropy, and obvious differences appear in its physical and mechanical properties, such as hardness, elasticity modulus, yield limit and phase transformation pressure, etc., with changes in crystal plane and crystal direction [5–8]. Thus, the surface integrity of silicon wafer shows apparent anisotropy during nanometric cutting [7], which differs the performance of silicon components with change in crystal direction under work condition [6, 9]. Hence, it is significant to study the impact of silicon anisotropy on its cutting behaviors in nanometric cutting.…”