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High-entropy alloys (HEAs), and even medium-entropy alloys (MEAs), are anintriguing class of materials in that structure and property relations can becontrolled via alloying and chemical disorder over wide ranges in thecomposition space. Employing density-functional theory combined with thecoherent-potential approximation to average over all chemical configurations,we tune free energies between face-centered-cubic (fcc) andhexagonal-close-packed (hcp) phases in Fe$_{x}$Mn$_{80-x}$Co$_{10}$Cr$_{10}$systems.~Within Fe-Mn-based alloys, we show that the martensitic transformationand chemical short-range order directly correlate with the fcc-hcp energydifference and stacking-fault energies, which are in quantitative agreementwith recent experiments on a $x$=40~at.\% polycrystalline HEA/MEA. Ourpredictions are further confirmed by single-crystal measurements ona$x$=40at.\% using transmission-electron microscopy, selective-areadiffraction, and electron-backscattered-diffraction mapping. The results hereinoffer an understanding of transformation-induced/twinning-induced plasticity(TRIP/TWIP) in this class of HEAs and a design guide for controlling thephysics behind the TRIP effect at the electronic level.

On the martensitic transformation in Fe$_{x}$Mn$_{80-x}$Co$_{10}$Cr$_{10}$ high-entropy alloy