About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
|
Advances in Multi-Principal Elements Alloys X: Structures and Modeling
|
Presentation Title |
A Method to Predict Fluctuations in the Fault Energy Landscape of FCC Solid Solutions |
Author(s) |
Ritesh Jagatramka, Chu Wang, Matthew Daly |
On-Site Speaker (Planned) |
Ritesh Jagatramka |
Abstract Scope |
Recent work suggests that the local chemical ordering of concentrated face-centered cubic (FCC) solid solutions introduces atomic-scale perturbations to the features of the generalized planar fault energy (GPFE) landscape. Within the context of deformation, these local perturbations introduce low-energy pathways for the evolution of deformation mechanisms (e.g., deformation twinning), which are of general interest to the metallurgy community. While the measurement of local fault energies has been reported in previous computational works, a framework to quantify their magnitude has yet to emerge. Here, we present a statistical method to predict the fluctuations in the GPFE of FCC solid solutions, taking only the overall alloy chemistry as inputs, and validate this framework using atomistic simulations. We anticipate that the analytical tools developed herein can be leveraged to design concentrated solid solutions with a prescribed, heterogeneous GPFE landscape. |
Proceedings Inclusion? |
Planned: TMS Journal: Metallurgical and Materials Transactions |
Keywords |
Computational Materials Science & Engineering, Other, Other |