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On the question of fractal packing structure in metallic glasses

Significance Our work clearly demonstrates a lack of fractal structure in metallic glasses, considering the packing of all atoms or solute-centered clusters. This finding clarifies the long-standing debate over the packing structure of metallic glasses from the perspective of fractal models; it is thus of significance for the community of researchers working with amorphous solids. Moreover, our percolation analysis of metallic glasses, revealing their cluster structure and percolation threshold, provides an important and powerful theoretical framework to describe the properties of amorphous alloys, such as the glass transition and mechanical deformation. This work addresses the long-standing debate over fractal models of packing structure in metallic glasses (MGs). Through detailed fractal and percolation analyses of MG structures, derived from simulations spanning a range of compositions and quenching rates, we conclude that there is no fractal atomic-level structure associated with the packing of all atoms or solute-centered clusters. The results are in contradiction with conclusions derived from previous studies based on analyses of shifts in radial distribution function and structure factor peaks associated with volume changes induced by pressure and compositional variations. The interpretation of such shifts is shown to be challenged by the heterogeneous nature of MG structure and deformation at the atomic scale. Moreover, our analysis in the present work illustrates clearly the percolation theory applied to MGs, for example, the percolation threshold and characteristics of percolation clusters formed by subsets of atoms, which can have important consequences for structure–property relationships in these amorphous materials.