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Report No.
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First-princilpes study of solute elements in Zirconium

Itakura, Mitsuhiro  ; Okita, Taira*

Time to hydride precipitation in Zircaloy fuel cladding determines the lifetime of the fuel cladding of nuclear reactors. For the design of a new reactor with increased irradiation to transmute TRU elements and reduce waste, the effect of irradiation on the hydride formation must be evaluated. We carried out ab-initio calculations of interaction between solute iron atoms and self-interstitial Zr atoms to deduce the fundamental parameters for the modeling of irradiation effect. The results are indispensable for the design of the new reactor.

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