About this Abstract |
Meeting |
2020 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Materials Science and Engineering of Materials in Nuclear Reactors
|
Presentation Title |
E-45: Thermodynamics of Hydrogen Pickup in Zr Alloys |
Author(s) |
Vidur Tuli, Christopher Jones, Katie L. Moore, Michael Preuss, Magnus Limback, Antoine J. Claisse, Patrick A. Burr |
On-Site Speaker (Planned) |
Vidur Tuli |
Abstract Scope |
Hydrogen pick-up of zirconium alloys is a life-limiting concern for nuclear fuel cladding. We have used a combination of NanoSIMS imaging of deuterated and corroded samples and ab-initio atomic scale simulations to shed light on H distribution in Zr alloys. We observe that deuterium hotspots are co-located with second phase particles, but we provide evidence that it is thermodynamically unfavourable for hydrogen to dissolve in Zr(Fe,Cr)2 SPPs compared to the bulk α-Zr. It is proposed that H is attracted to the interface between the SPPs and the Zr matrix, and that local strain plays a key role.
We also find that the solubility of H in metals can be predicted by a description of the local (nearest neighbour) chemistry, thus enabling predictions for any alloy system without the need for explicit ab-initio atomic-scale simulations. For instance, H prefers tetrahedral interstitial sites that maximise Zr and minimise Fe as nearest neighbours. |
Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |