Atomistic simulation of strain-induced amorphization

The process of solid-state amorphization through extensive plastic straining (i.e., mechanical alloying) is studied through molecular simulation of binary Cu–Zr alloys. Without such confounding factors as impurity pick-up, or such thermal effects as melting or diffusion, we find that amorphization can be driven solely by accumulation of crystal defects and interfacial roughening between the component phases. The tendency for glass formation is also seen to depend on composition, and the results are in line with extensive prior experimental work.