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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Computational Thermodynamics and Kinetics
Presentation Title A Statistical Perspective on Embrittling Potency for Intergranular Fracture
Author(s) Miguel Enrique Fernandez, Remi Dingreville, Douglas Spearot
On-Site Speaker (Planned) Miguel Enrique Fernandez
Abstract Scope Embrittling potency is a thermodynamic metric that assesses the influence of solute segregation to a grain boundary on intergranular fracture. Historically, studies have reported embrittling potency as a single, scalar value for a site, assuming a particular cleavage plane. However, the topography of intergranular fracture surfaces is not generally known a priori. Accordingly, this study presents a statistical ensemble approach to compute embrittling potency, where many free surface permutations are systematically considered. The result of this approach is a statistical description of the thermodynamics of grain boundary embrittlement. As an example, this approach is implemented for the case of Cr solutes at Ni grain boundaries. A mean grain boundary embrittlement is proposed, considering both the likelihood of formation of a particular free surface and the probability of solute occupancy at each grain boundary site, to compare the relative embrittling behavior of distinct grain boundaries.
Proceedings Inclusion? Planned:
Keywords Modeling and Simulation, Mechanical Properties, Other

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