| About this Abstract |
| Meeting |
Materials in Nuclear Energy Systems (MiNES) 2021
|
| Symposium
|
Materials in Nuclear Energy Systems (MiNES) 2021
|
| Presentation Title |
Beta Transmutations in Apatite with Ferric Iron as an Electron Acceptor – Implication for Nuclear Waste form Development |
| Author(s) |
Jianwei Wang, Jie Lian |
| On-Site Speaker (Planned) |
Jie Lian |
| Abstract Scope |
Apatite-structured materials are considered for immobilization of fission products from reprocessing nuclear fuel because of their chemical durability and compositional and structural flexibility. It was hypothesized that the effect of beta decay on stability can be mitigated by introducing an appropriate electron acceptor at the neighboring sites in the structure. Decay series 137Cs → 137Ba and 90Sr → 90Y → 90Zr were investigated using a spin-polarized DFT approach to test the hypothesis. Apatites with compositions of Ca10(PO4)6F2 and Ca4Y6(SiO4)6F2 were selected for radionuclides Cs and Sr incorporation respectively. Ferric iron was introduced in the structure as an electron acceptor. Electron density of states, crystal and defect structure, and energies confirm the structural and compositional adaptability of apatites upon beta transmutations. The study suggests that apatite-structured materials could be promising nuclear waste forms to mitigate the beta decay-induced instability, by incorporating variable valence cations such as ferric iron in the structure. |
| Proceedings Inclusion? |
Undecided |