About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
|
Symposium
|
Chemistry and Physics of Interfaces
|
Presentation Title |
The Effect of Grain Boundary Facet Junctions on Segregation and Embrittlement |
Author(s) |
Miguel Enrique Fernandez, Remi Dingreville, Douglas Spearot |
On-Site Speaker (Planned) |
Miguel Enrique Fernandez |
Abstract Scope |
Flat grain boundaries may decompose into facets when the inclination of the interface is energetically unfavorable. It is known that the resulting junctions between facets can affect solute segregation to the grain boundary, but an understanding of the role of junctions on embrittlement is lacking. Thus, we compute segregation energies and embrittling potencies of Ag and Cu solutes for 20 Au 〈111〉 Σ3 symmetric tilt GBs with various facet lengths and terrace heights. We show strong correlation between the hydrostatic stress fields generated by the junction dislocations and solute segregation for both Cu and Ag solutes. We develop a simple analytical model capable of predicting the change in segregation energy and embrittling potency of a grain boundary site relative to junction positions. From these calculations, we conclude that junctions are embrittling agents thermodynamically, and may act as initiation points for fracture in metal alloys. |
Proceedings Inclusion? |
Planned: |
Keywords |
Modeling and Simulation, Thin Films and Interfaces, Other |