About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
|
Materials Systems for the Future of Fusion Energy
|
Presentation Title |
First-principles Calculations of Tungsten-based Alloys under Fusion Power Plant Conditions |
Author(s) |
Yichen Qian, Mark R. Gilbert, Lucile Dezerald, David Cereceda |
On-Site Speaker (Planned) |
David Cereceda |
Abstract Scope |
Tungsten and tungsten alloys are being considered as leading candidates for structural and functional materials in future fusion energy devices. The most attractive properties of tungsten for the design of magnetic and inertial fusion energy reactors.
Significant neutron-induced transmutation happens in these tungsten components during nuclear fusion reactions, creating transmutant elements including Re, Os and Ta.
Density functional theory (DFT) calculations that allow the calculation of defect and solute energetics are critical to better understand the behavior and evolution of tungsten-based materials in a fusion energy environment.
In this study, we present a novel computational approach to perform DFT calculations on transmuting materials. In particular, we predict elastic and plastic mechanical properties (such as bulk modulus, shear modulus, ductility parameter, etc.) on a variety of W-X compositions that result when pure tungsten and tungsten alloys are exposed to the EU-DEMO fusion conditions for ten years. |
Proceedings Inclusion? |
Planned: |
Keywords |
Nuclear Materials, Mechanical Properties, High-Entropy Alloys |