About this Abstract |
Meeting |
2021 TMS Annual Meeting & Exhibition
|
Symposium
|
High Entropy Alloys IX: Structures and Modeling
|
Presentation Title |
Development of Interatomic Potentials to Model the Deformation Behaviors in Highly Concentrated/Entropy-stabilized Ni-base Superalloys |
Author(s) |
Ridwan Sakidja, Andrew Ian Duff, Wai-Yim Ching, Caizhi Zhou |
On-Site Speaker (Planned) |
Ridwan Sakidja |
Abstract Scope |
We developed interatomic potentials designed for a selected number of multi-component, highly concentrated or entropy-stabilized Ni-based Superalloys. The overall approach is based on the Reference-free Modified Embedded Atom Method via MEAMFIT code whereby energy, stress and force samplings mostly from ab-initio molecular dynamics (AIMD) simulations were extracted for the parameterization processes. By focusing the concentration regime at or near the vicinity of high-entropy alloys (HEA), we were able to extend the applicability and transferability of the potentials toward a wider scope of alloy compositions including the highly concentrated and commercially-relevant Ni-based Superalloys. The support from DOE-NETL under the award No. FE0031554 is gratefully acknowledged. |
Proceedings Inclusion? |
Planned: TMS Journal: Metallurgical and Materials Transactions |
Keywords |
Modeling and Simulation, Mechanical Properties, High-Entropy Alloys |