About this Abstract |
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 |