A molecular dynamics simulation study was performed to investigate the formation and evolution mechanisms of nano-clusters during the rapid solidification of liquid CaToMg30 alloy. The cluster-type index method （CTIM...
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A molecular dynamics simulation study was performed to investigate the formation and evolution mechanisms of nano-clusters during the rapid solidification of liquid CaToMg30 alloy. The cluster-type index method （CTIM） was adopted to describe microstructure evolutions of nano-clusters during solidification. Results indicate that amorphous structure is mainly formed with three bond-types of 1551, 1541 and 1431 at the cooling rate of 5~1011 K/S, and glass transition temperature Tg is about 530 K; the icosahedron cluster of （12 0 12 0） plays a key role in formation of amorphous structure, and smaller Mg atoms are much more probable to be central atoms of icosahedron clusters; and nano-clusters are mainly formed by combining medium-size clusters. Interestingly, it was also found that formation and evolution processes of the nano-cluster display a three-stage feature which is analogous to crystallization process of amorphous alloy.
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