| About this Abstract |
| Meeting |
2021 TMS Annual Meeting & Exhibition
|
| Symposium
|
Mechanical Behavior of Nuclear Reactor Components
|
| Presentation Title |
Atomistic Simulations and Theoretical Modelling of the Yield Behavior of Industrial Tantalum Alloys |
| Author(s) |
Divya Singh, Satish I. Rao, Jaafar El-Awady |
| On-Site Speaker (Planned) |
Divya Singh |
| Abstract Scope |
Tantalum and its alloys, in particular those with Tungsten and Hafnium (Ta-10W-2.5Hf (T-222) and Ta-8W-2Hf (T-111)) are of significant interest for high temperature space and nuclear applications. These alloys demonstrate outstanding strength, along with improved corrosion and creep properties at high temperature. However, the high-temperature mechanical and fracture properties of these alloys are not fully understood. We first present molecular dynamics simulations to determine the core structure and mobility of a/2[111] dislocations using Johnson-Zhou interatomic potentials in both these alloys. The Suzuki model of solid solution strengthening, adapted for concentrated BCC alloys, is then utilized to predict the yield strength of these alloys as a function of temperature. Such model results are then compared with direct molecular dynamics simulation data on the mobility of a/2[111] dislocations as well as experimental data on the yield behavior of these alloys as a function of temperature and shown to be in good correspondence. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Nuclear Materials, Modeling and Simulation |