Abstract

By integrating calculation of phase diagram (CALPHAD) simulations, ab initio molecular dynamics (AIMD) and experimental validation, we shed light on the unexpected spinodal decomposition in as-cast Al30Co10Cr30Fe15Ni15 alloy, as opposed to the eutectic BCC/B2 microstructure predicted by CALPHAD. We showed that the eutectic high entropy alloy (EHEA) and spinodal decomposition (SD) may be correlated with each other. A shift from as-cast EHEA to SD can be triggered by the strong short-range ordering in the EHEA liquid phase and high configuration entropy of the metastable phase. CALPHAD showed that the low eutectic temperature of Al30Co10Cr30Fe15Ni15 alloy is stabilized by the short-range and topological ordering (SRO), rendering a small undercooling ΔT for partitionless solidification of the metastable B2 phase. AIMD calculations showed that the particular metastable-like liquid preordering might reduce interface energy between the eutectic liquid and saturated B2, facilitating metastable saturated phase formation even with a small undercooling and suppressing the eutectic reaction. The single B2 phase might have solidified in the spinodal region of the phase diagram resulting in a shift from as-cast EHEA to SD. The interplay between SD and EHEAs presents an alternative route to explore spinodal HEAs by simple as-casted samples without lengthy heat treatments for homogenization.

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