Abstract
The relationship between eutectic compositions and glass-forming ability (GFA) in Cu100-xZrx (x = 8–83) system is studied by molecular dynamic (MD) simulation based on the embedded atom method (EAM). Local maxima of GFA occur in Cu56Zr44, Cu47Zr53 and Cu31Zr69 alloys, close to eutectic points in Cu-Zr binary phase diagram. The structural parameters indicate that the heterogeneous Cu-Zr pairs exhibit stronger and more stable interaction than that of homogeneous pairs. The small peak with a negative amplitude ahead of the main peak in SCuZr(Q) also implies the preference of Cu-Zr pairs. The avoidance of Cu-Cu neighbours and Zr-Zr neighbours, which correspond to the prepeak prior to the main peak of SCuCu(Q) and SZrZr(Q), leads to structural order on intermediate length scales. Perfect and defect icosahedra constitute medium range order (MRO) clusters by sharing atoms, which promotes the glass formation.
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