TY - JOUR
T1 - Crystallization insights revealed by simulation solidification study of Fe63Ni33Co4 alloy melt at subcritical cooling rate
AU - Luo, Yuxi
AU - Tian, Zean
AU - Zheng, Quan
AU - Hu, Lin
AU - Dong, Kejun
PY - 2022
Y1 - 2022
N2 - The rapid solidification of Fe63Ni33Co4 alloy at the subcritical cooling rate (1×1013 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 Fe63Ni33Co4 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.
AB - The rapid solidification of Fe63Ni33Co4 alloy at the subcritical cooling rate (1×1013 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 Fe63Ni33Co4 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.
UR - https://hdl.handle.net/1959.7/uws:71191
U2 - 10.1016/j.jnoncrysol.2022.121557
DO - 10.1016/j.jnoncrysol.2022.121557
M3 - Article
SN - 1873-4812
SN - 0022-3093
VL - 586
JO - Journal of Non-Crystalline Solids
JF - Journal of Non-Crystalline Solids
M1 - 121557
ER -