About this Abstract |
Meeting |
2020 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Discovery and Design of Emerging Materials
|
Presentation Title |
Introducing the MEAM Interatomic Potential for NiTiHf Shape Memory Alloys |
Author(s) |
Meghnath Jaishi, Garitt Tucker, Aaron Stebner |
On-Site Speaker (Planned) |
Meghnath Jaishi |
Abstract Scope |
NiTiHf based shape memory alloys (SMAs) have shown considerable promise in recent days as a viable alternative to their parent NiTi (nitinol) SMAs. Because of their high strength, and wide variability in martensitic transformation temperature ranging from below room temperature to above 100 ºC enable their usages from biomedical applications to aviation industries. However, the lack of atomistic understanding during their microstructural engineering by ageing, alloying and processing techniques is inhibiting these smart materials from its wide scale applications. Atomistic modeling to unlock the atomic level information for an efficient shape memory application requires an interatomic potential with a high predictive accuracy. Herein, we introduce the optimized interaction potential for NiTiHf SMAs within the framework of modified embedded atom method (MEAM). Testing of various mechanical and microstructural features obtained from experimental measurements as well as ab-initio calculations proves the highly accurate predictive nature of our interatomic potential for NiTiHf SMAs. |
Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |