Atomistic modeling of metal–nonmetal interphase boundary diffusion

Atomistic computer simulations are applied to investigate the atomic structure, thermal stability, and diffusion processes in Al–Si interphase boundaries as a prototype of metal–ceramic interfaces composite materials. Some most stable orientation relationships between phases found this work were previously observed epitaxy experiments. A non-equilibrium interface can transform more state by mechanism that we call interface-induced recrystallization. Diffusion both Al Si atoms is surprisingly slow compared with elements grain but be accelerated presence disconnections. qualitative explanation sluggish boundary proposed. Atomic mechanisms similar those metallic dominated correlated rearrangements form strings rings collectively moving atoms.