About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
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| Symposium
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Radiation Effects in Solid-State Materials: An SMD Symposium Honoring William J Weber
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| Presentation Title |
From Bill giving us a hand to weberite, 20 years of Frenkel pair accumulation |
| Author(s) |
Jean Paul Crocombette, Alain Chartier |
| On-Site Speaker (Planned) |
Jean Paul Crocombette |
| Abstract Scope |
Atomic-scale modelling of the behavior of materials under irradiation relies primarily on cascade simulations that describe primary damage. Going to longer time scale is tricky. 20 years ago, we designed the Frenkel pair accumulation method that give access to an atomic level description of the microstructural evolution of materials under irradiation. Our first test case was the composition dependance of the amorphization in the pyrochlore family. While the qualitative results were interesting our values of the critical amorphization temperatures deviated hugely from experiments. Bill Weber saw our work and pointed us to a flux correction that almost magically aligned our results with experiments. I will show selected applications of the FPA method obtained over the years. Finally, we recently revisited the pyrochlore case searching for the medium range weberite structure that is observed in neutron diffraction experiments. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Ceramics, Modeling and Simulation, |