Stacking pattern of short-range order units in binary metallic glasses: A hypergraph approach

This study investigates stacking patterns between short-range order (SRO) units in three binary metallic glasses by establishing a framework combining hypergraph and molecular dynamics simulation. It is found by maximal clique decomposition that SRO unit at 300 K stacking primarily consists of ternary and quaternary maximal cliques, collectively accounting for about 90% of the total. An exponential relationship between maximal clique population and average atomic radius ( ln N m c = α γ ¯ + C ) is established, where the absolute value of α is related to atomic radius ratio. We report a close correlation between the dynamic behavior of N m c and the glass transition in metallic glasses. A logistic growth model is presented to reveal the evolution of N m c from initial unlimited growth to hindered growth, with this transition initiating at about 1 . 16 T g .