Crystallization insights revealed by simulation solidification study of Fe63Ni33Co4 alloy melt at subcritical cooling rate

YX Luo and Z Tian and Q Zheng and L Hu and KJ Dong, JOURNAL OF NON- CRYSTALLINE SOLIDS, 586, 121557 (2022).

DOI: 10.1016/j.jnoncrysol.2022.121557

The rapid solidification of Fe6(3)Ni(33)Co(4) alloy at the subcritical cooling rate (1x10(13) K/s) has been investigated by molecular dynamics (MD) simulation. The macroscopic phase transitions were analyzed in terms of the variation of potential energy and the related microscopic structure evolutions were depicted by the largest standard cluster analysis (LaSCA). It was found that such Fe6(3)Ni(33)Co(4) melt experiences liquid-liquid transition, liquid-solid transition, and solid-solid transition, which are respectively linked with the evolutions of amorphous local structures with 3-, 4-and 5-fold symmetries, BCC structures and FCC/HCP clusters. These findings shed new light on the complicated solidification mechanism of alloys from local cluster structural evolution features.

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