Deformation Induced Complexion Transitions in Nanocrystalline Alloys

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Grain boundary (GB) enthalpies in nanocrystalline (NC) Pd₉₀Au₁₀ are studied after preparation, thermal relaxation and plastic deformation. By comparing results from atomistic computer simulations and calorimetry, we show that increasing plastic deformation of equilibrated NC Pd₉₀Au₁₀ specimen causes an increase of the stored GB enthalpy Δγ. We interpret this change of Δγ as stress-induced complexion transition from a low-energy to a high-energy GB-core state. In fact, GBs behave not only as mere sinks and sources of zero- and one-dimensional defects or act as migration barriers to the latter but also have the capability of storing deformation history through configurational changes of their core structure and hence GB enthalpy. Such a scenario can be understood as a continuous complexion transition under non-equilibrium conditions, which is related to hysteresis effects under loading-unloading conditions.