Relating the kinetics of grain-boundary complexion transitions and abnormal grain growth: A Monte Carlo time-temperature-transformation approach

Grain boundaries undergo thermally-activated, first-order transitions that result in discontinuous changes of interfacial properties. Importantly, grain boundary transitions lead to changes in bulk material properties (e.g., embrittlement) and/or behavior (e.g., abnormal grain growth). Numerous studies have been completed on the equilibrium states of grain boundaries and their transitions (i.e., complexion transitions), but there have been far fewer investigations of complexion transition kinetics; complexion transitions occur on the atomic-scale and are therefore challenging to detect experimentally. In this work, a 3D Potts grain growth model with stochastic complexion transitions was employed to investigate complexion transition kinetics. A Johnson-Mehl-Avrami-Kolmogorov (i.e., JMAK) approach was used to extract nucleation and growth rates (i.e., transformation rates), while point process analyses and correlation functions were used to infer complex interrelated nucleation and growth events. Time-temperature-transformation (TTT) diagrams, in particular grain-boundary complexion, transformed grain, and abnormal grain TTT diagrams, were constructed to summarize the progress of complexion-related transformations. Such diagrams relate complexion-induced grain growth to the underlying complexion transitions and, in the case of abnormal grain growth (AGG), permit one to assess the role of AGG as a temperature-dependent, time-displaced indicator of complexion transitions. Overall, this work details a theoretical framework that can be used to better understand complexion transition kinetics as well as to develop tools for the design of bulk microstructures.