Presentation on theme: "Atomic Scale Modelling of Zirconium Alloys and Hydrogen in Zirconium By Simon Lumley Supervised by Dr Mark Wenman, Prof. Robin Grimes and Dr Paul Chard-Tuckey."— Presentation transcript:
Atomic Scale Modelling of Zirconium Alloys and Hydrogen in Zirconium By Simon Lumley Supervised by Dr Mark Wenman, Prof. Robin Grimes and Dr Paul Chard-Tuckey
Modelling Zirconium Introduction: why model zirconium and hydrogen? Methods: density functional theory. Results: alloy solution energies. Results: lattice Strains. Future work.
Introduction: Zirconium The main component in the Zircaloy series of metals. Zircaloy is used in PWR, BWR and CANDU reactors. Its main use is as a fuel cladding material. A PWR fuel assembly being placed into storage.
Introduction: Why Zirconium? Adequate mechanical and thermal properties. Good corrosion resistance. Low thermal neutron capture cross-section. But...It is subject to hydrogen embrittlement. An optical micrograph of Zircaloy after heavy exposure to hydrogen. Kim YS, Ahn SB, Cheong YM. J. Alloys Cmpds. 2007;429:221-226.
Future Work Extending solution energy calculations to other elements. Can we model hydrogen binding with intermetallic phases? Does the lattice strain play a role in this? Do intermetallic compounds provided a location for hydrogen to be absorbed. Thank you for your time. Any Questions?