Stacking fault energy in concentrated alloys

We revisit the meaning of stacking fault energy (SFE) and the assumptions of equilibrium dissociation of lattice dislocations in concentrated alloys. SFE is a unique value in pure metals. However, in alloys beyond the dilute limit, SFE has a distribution of values depending on the local atomic environment. Conventionally, the equilibrium distance between partial dislocations is determined by a balance between the repulsive elastic interaction between the partial dislocations and a unique value for SFE. This assumption is used to determine SFE from experimental measurements of dislocation splitting distances in metals and alloys, often contradicting computational predictions. We use atomistic simulations in a model NiCo alloy to study the dislocation dissociation process in a range of compositions with positive, zero, and negative average SFE and surprisingly observe a stable, finite splitting distance in all cases at low temperatures. We then compute the decorrelation stress and examine the balance of forces on the partial dislocations, considering the local effects on SFE, and observe that even the upper bound of SFE distribution alone cannot satisfy the force balance in some cases. Furthermore, we show that in concentrated solid solutions, the resisting force caused by interaction of dislocations with the local solute environment becomes a major force acting on partial dislocations. Here, we show that the presence of a high solute/dislocation interaction, which is not easy to measure and neglected in experimental measurements of SFE, renders the experimental values of SFE unreliable. The stacking fault energy is connected to the response of crystals to deformation. Here the authors report a computational study in a model NiCo system to demonstrate the key importance of the dislocation/solute interaction for the accurate assessment of stacking fault energy in alloys beyond dilute limit.

Automated summary

This study revisits the meaning of stacking fault energy (SFE) and the assumptions of equilibrium dissociation of lattice dislocations in concentrated alloys, showing that SFE in pure metals is a unique value, but in alloys it has a distribution of values depending on the local atomic environment. By using atomistic simulations in a model NiCo alloy, researchers found that even the upper bound of SFE distribution alone cannot satisfy the force balance in some cases, indicating the key importance of the dislocation/solute interaction for the accurate assessment of SFE in alloys beyond dilute limit.