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Using molecular dynamics simulations, we have studied the atomic correlationscharacterizing the second peak in the radial distribution function (RDF) ofmetallic glasses and liquids. The analysis was conducted from the perspectiveof different connection schemes of atomic packing motifs, based on the numberof shared atoms between two linked coordination polyhedra. The resultsdemonstrate that the cluster connections by face-sharing, specifically withthree common atoms, are most favored when transitioning from the liquid toglassy state, and exhibit the stiffest elastic response during sheardeformation. These properties of the connections and the resultant atomiccorrelations are generally the same for different types of packing motifs indifferent alloys. Splitting of the second RDF peak was observed for theinherent structure of the equilibrium liquid, originating solely from clusterconnections; this trait can then be inherited in the metallic glass formed viasubsequent quenching of the parent liquid through the glass transition, in theabsence of any additional type of local structural order. Increasing orderingand cluster connection during cooling, however, may tune the position andintensity of the split peaks.

Second-Nearest-Neighbor Correlations from Connection of Atomic Packing Motifs in Metallic Glasses and Liquids