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Since the pioneering efforts of Duwez and coworkers in 1965, when a solidamorphous phase of Pd-Si ($a$-PdSi) was obtained in the vicinity of theeutectic concentration, much work has been done. However, some points relatedto the atomic structures remain to be systematized. In this work, 8 amorphousPd$_{100-c}$Si$_{c}$ alloys (c = 2.5, 5, 10, 13.34, 15, 17.5, 20, and 22 at %)were generated by molecular dynamics $ab$ $initio$ simulations; the short-rangestructure is analyzed using several correlation functions, like PairDistribution Functions, reduced Pair Distribution Functions, Plane AngleDistribution Functions. Other related properties, like nearest-neighbors andsome Frank-Kasper polyhedra are reported. The generated samples correctlyreproduce the scarce experimental pair correlation functions that are reportedin the literature. An unexpected outcome is the appearance of structuralchanges in the neighborhood of Pd$_{86.66}$Si$_{13.34}$, which may be relatedto the magnetic changes reported in the liquid and amorphous Pd-Si alloyspreviously reported. The explicit amorphous topologies are reported.

Short-range Atomic Topology of Ab initio Generated Amorphous PdSi Alloys