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Activation of non-basal slip is essential in improving the deformability ofhexagonal crystals. However, the mechanism of non-basal slip remains largelyunknown, especially for complex intermetallics such as Laves phases. In thiswork, the prismatic slip systems of C14 Laves crystals and possible metastablestates along the slip paths are assessed using atomistic simulations. Multipleprismatic stacking fault states with the same lattice pattern but differentsite occupancies and chemical distributions are identified at differentinter-atomic layers, temperatures and chemical compositions. The formation ofenergetically favorable prismatic stacking faults involves short-rangediffusion which implies the thermally activated nature of prismatic slip. Theoutcomes of this work advance the understanding of temperature andchemical-dependent non-basal slip in Laves phases and can be extended to othertopologically close-packed phases.

On the temperature and chemical dependency of prismatic stacking faults in C14 Laves phases