Atomic-scale Nb heterogeneity induced icosahedral short-range ordering in metallic glasses

Abstract

• Atomic-scale structural evolution has been depicted via thermal agitation during heating. • The Nb heterogeneity plays an important role in the formation of short-range icosahedral-like clusters. • The coupling development of atomic-scale structure and composition is simultaneously responsible for promoting the formation of perfect orders or even long-range quasicrystalline. The intrinsic origins and formation of atomic-scale structure in multicomponent alloys remain largely unknown owing to limited simulations and inaccessible experiments. Herein, we report the formation of three-dimensional periodicity from a disordered atomic-scale structure to an imperfect/perfect ordered cluster and finally to long-range translational and rotational symmetry coupled with Nb heterogeneity. Significant atomic-scale structural clustering and atomic arrangements involving solvent or solute atoms simultaneously occurred during isothermal annealing. A close relationship between atomic-scale structural evolution and composition variation has important implications in depicting the chemical and topological packing during the early crystallization stage in metallic glasses. This work can provide a comprehensive understanding of how short-range orders evolve into long-range periodicity and will further shed light on the origins and nature of metallic glasses.