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Using first principles calculations, {111} intrinsic stacking fault (ISF)energies in Group IVB, VB, and VIB high-entropy transition metal carbides areshown to be predictable from an optimized rule of mixtures based on theproperties of the single metal carbide constituents present near the stackingfault. A composition-independent linear relationship is demonstrated betweenthe ISF energies and the unstable stacking fault (USF) energies along the<112>{111} gamma surface slip path. Treating the ISF and USF energies asanalogous to the heat of reaction and transition state barrier in chemicalreactions, this linear relationship represents a new application of theEvans-Polanyi-Semenov principle. Further, a full defect energy distribution canbe obtained from the predicted ISF energies with only the composition as aninput for the mixed early-transition metal carbides. Applying a model thatbalances the elastic repulsion between partial dislocations with thedistribution of ISF energies, we show that Shockley partial edge dislocationsshould remain bound for all valence electron concentration values up to about9.6, even when the average stacking fault energy is negative.

Interfacial defect properties of high-entropy carbides: Stacking faults, Shockley partial dislocations, and a new Evans-Polanyi-Semenov relation