Effects of solute–solute avoidance on metallic glass formation

An ideal cluster-distribution configuration is proposed for transition metal–metalloid metallic glasses with high glass-forming ability, in which full solute–solute avoidance and multispecies clusters increase the stability of alloy systems. The liquid structure of four typical Fe-based glass former alloys were investigated by ab initio molecular dynamics simulations, and the simulation results and experimental phenomena confirmed the validity of the proposed configuration.

► An ideal cluster-distribution configuration with high glass-forming ability is proposed.
► Gives an acceptable explanation for the different glass-forming abilities with comparable atomic sizes.
► Discusses the contributions of atomic size and chemical effects of constituent species.