About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Transmutation Effects in Materials in Fission, Fusion, and Spallation Environments
|
| Presentation Title |
Predictive models for irradiation damage in baseline metals: from fundamental atomistic simulations to engineering properties |
| Author(s) |
Max Boleininger, Daniel R Mason, Luca Reali, Samanyu Tirumala, Alexander Feichtmayer, Felix Hofmann, Sergei L Dudarev |
| On-Site Speaker (Planned) |
Max Boleininger |
| Abstract Scope |
The development of comprehensive materials models under neutron irradiation requires a rigorous understanding of microstructural evolution under simultaneous thermal, mechanical, and radiation loads. Before the impact of transmutation can be fully isolated and quantified, we must first establish an accurate assessment of the change in properties caused by knock-on damage. In this talk, we present an overview of recent efforts to model the effect of knock-on damage in tungsten and iron from first principles, starting with collision cascades on the atomic scale, and culminating with experimentally validated predictions of engineering properties, such as thermal conductivity, deuterium retention, lattice strains, and irradiation creep–without use of adjustable parameters. Finally, we show how a computational approach involving a “digital shadow” of an experimental setup can allow for a direct and quantitative validation of our theory and simulation methodology, enabling the assessment of materials performance in complex irradiation environments. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Nuclear Materials, Mechanical Properties |