About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Computational Thermodynamics and Kinetics
|
| Presentation Title |
A Multiscale Model of Radiation-Modified Oxide Growth |
| Author(s) |
Aaron Kohnert, Edward Holby, Elizabeth Peterson, Mark Asta, Shivani Srivastava, Kayla Yano, Tiffany Kaspar, Daniel Schreiber, Blas P. Uberuaga |
| On-Site Speaker (Planned) |
Blas P. Uberuaga |
| Abstract Scope |
In systems in which an oxide scale forms on the surface of a metal, radiation will introduce new defects that may influence the rate at which corrosion mechanisms occur. To understand the fundamental coupling of these two extreme conditions, we have developed a cluster dynamics model that describes the evolution of non-equilibrium radiation-induced point defects and their influence on the overall growth of an oxide scale. This model is validated against various experimental measurements, including our own annealing and irradiation experiments using isotope marker layers quantified with atom probe tomography. Applying this model to hematite, a represented oxide that forms on iron, we find irradiation typically reduces the overall oxidation rate of the scale, despite the fact that radiation-enhanced diffusion is much faster than thermal cases. Ultimately, this reduction is tied to changes in the Fermi level that lead to the suppression of cation interstitial migration. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Ceramics, Nuclear Materials, Modeling and Simulation |