| About this Abstract |
| Meeting |
Materials in Nuclear Energy Systems (MiNES) 2021
|
| Symposium
|
Materials in Nuclear Energy Systems (MiNES) 2021
|
| Presentation Title |
Development and Application of an Interatomic Potential for the Investigation of Mixed Oxide Compounds Containing Americium |
| Author(s) |
Marjorie Bertolus, Simon Orlat, Baptiste Labonne |
| On-Site Speaker (Planned) |
Marjorie Bertolus |
| Abstract Scope |
Americium is a chemical element produced in nuclear reactors, whose strong radiotoxicity is a major issue for the management of nuclear waste. One solution envisaged to reduce the amount of americium in waste is to separate it and to transmute it in reactor into a less radiotoxic element.
This requires, among other things, a very good knowledge of the thermodynamic properties of Am bearing oxides to control the manufacturing process and predict the phases formed under irradiation.
Atomic scale modelling, e.g. classical Molecular Dynamics, is a suitable tool for the calculation of thermodynamic properties to complement experimental characterizations. It requires, however, precise interatomic potentials.
We parameterized a potential for Americium with oxidation state + III in the formalism developed by Cooper, Rushton and Grimes and validated it against available experimental data. The potential was then applied to determine thermodynamic properties of (U,Am)O2 as a function of Am content and/or temperature. This project has received funding from the Euratom research and training programme 2019-2020 under grant agreement No 945077. |
| Proceedings Inclusion? |
Undecided |