Short and medium-range orders in Co3Al metallic glass
M Kbirou and S Trady and A Hasnaoui and M Mazroui, CHEMICAL PHYSICS, 513, 58-66 (2018).
This brief overview presents classical molecular dynamics simulations that we employed to examine the glass formation and cluster evolution during the rapid solidification of Co3Al metallic alloy. The structural characteristics at short-range order (SRO) and medium-range order (MRO) in Co3Al metallic glass are investigated by means of several structural analysis methods, radical distribution functions (RDF), structure factor, coordination number (CN) and Voronoi tessellation analysis (VTA). The well-known characteristics of glassy metallic alloys have been observed in Co 3 A1 indicating the glass formation in this system. The Voronoi tessellation analysis showed that, although the decrease of temperature enlarges the population of <0, 3, 6, 4> which is identified as the basic local structural motif in Co3Al glass state. The partial RDF of the icosahedral-like clusters is then further analyzed, providing insight into the packing of the MRO. Based on the perspective of different connection schemes of atomic packing motifs including vertex- sharing (VS), edge-sharing (ES), face-sharing (FS) and intercross- sharing (IS), the splitting of the second peak in the (RDF) of metallic glasses is further characterized, suggesting that the first and second sub-peaks result from the formation of <0, 0, 12, 0> and <0, 1, 10, 2> respectively.
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