Statistical composition-structure-property correlation and glass-forming ability based on the full icosahedra in Cu–Zr metallic glasses

Using the large-scale atomic/molecular massively parallel simulator, fraction of the Cu-centered ⟨0,0,12,0⟩ full icosahedra (fico) is obtained from a statistical analysis over a broad compositional range with high resolution in the Cu–Zr binary system. Weak but significant peaks are observed at certain compositions which coincide with good glass formers. This correlation implies that the change in fico is a fundamental structural factor in determining the ease of glass formation. In this regard, fico can be an indicator of glass-forming ability. Our work provides further understanding on the atomic structure of the Cu–Zr system and its effect on glass formation.