The connection of icosahedral and defective icosahedral clusters in medium range order structures of CuZrAl alloy

L Ren and TH Gao and R Ma and Q Xie and ZA Tian and Q Chen and YC Liang and XC Hu, JOURNAL OF NON-CRYSTALLINE SOLIDS, 521, UNSP 119475 (2019).

DOI: 10.1016/j.jnoncrysol.2019.119475

Medium-range order structure is the one of the important local structural units in the field of bulk metallic glasses. The rapid solidification of Cu50Zr40Al10 ternary alloy is investigated by molecular dynamics simulation. Simultaneously, the connections between the full icosahedral and defective icosahedral clusters in medium range order structures of Cu50Zr40Al10 alloy are characterized systematically by the quantitative method and visualization analysis. The results reveal that the icosahedral clusters as the main structures with high structural stability are bonded with each other by interpenetrating connection, and form the triangle, double triangle, triple triangle, tetrahedron and chain connected icosahedral medium-range order clusters. Moreover, the icosahedral and defective icosahedral clusters prefer to link with each other and form the bigger medium-range order clusters with different configurations in this system. These structures keep the high structural stability of icosahedral medium-range order section and the structural variability of chain-like medium-range order structures.

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