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NiCoCr middle-entropy alloy is known for its exceptional strength at both lowand elevated operating temperatures. Mechanical properties of NiCoCr-basedalloys are affected by certain features of the energy landscape, such as theenergy difference between the hcp and fcc phases (which is known to correlatewith the stacking fault energy in the fcc phase) and curvature of the energysurface. We compute formation energies in the Ni-Co-Cr ternary and relatedquaternary systems and investigate dependences of the relative energies oncomposition. Such computed composition-structure-property relations can beuseful for tuning composition and designing next-generation alloys withimproved strength.

Energy landscape in NiCoCr-based middle-entropy alloys