Fig. 3: Modeling the evolution of chemical distribution during solidification and after annealing in an equiatomic CoCrNi MEA.

a, b Snapshots showing the solidification process. Green represents the FCC crystal structure, red represents the solidification front, and purple represents the liquid. c, d Atomic slices of the structure (in the x-z plane) showing the distribution of atoms (c) and the pairwise order parameters ∆α_Ni-Ni and ∆α_Co-Cr (d) after solidification, respectively. A threshold of 2 has been applied on the colorbar of the pairwise order parameters to show the contrast. Thus, the atoms with order parameters smaller than 2 are colored by dark blue. The original result without threshold is included in Supplementary Fig. 16. e, f Atomic slices of the structure (in the x-z plane) showing the distribution of atoms (e) and the pairwise order parameters ∆α_Ni-Ni and ∆α_Co-Cr (f) after annealing, respectively. g The probability distribution of ∆α_Ni-Ni and ∆α_Co-Cr order parameters in the RSS, as-solidified and as-annealed samples. h Line profiles showing the variation of ∆α_Ni-Ni and ∆α_Co-Cr as a function of solid growth distance in the solidifying direction (z-axis) in the as-solidified sample.