Effect of Sn and Nb on generalized stacking fault energy surfaces in zirconium and gamma hydride habit planes

Yutaka Udagawa, Masatake Yamaguchi, Tomohito Tsuru, Hiroaki Abe, Naoto Sekimura

Research output: Contribution to journalArticlepeer-review

12 Citations (Scopus)

Abstract

We have investigated the effects of Sn and Nb on dislocation properties in a Zr lattice to elucidate the role of these alloying elements in hydride nucleation processes. According to experimental observations, γ-hydride habit planes are close to the prismatic plane in pure Zr and close to the basal plane in Zircaloy. Dislocation loops are observed around hydride precipitates, implying they play a part in hydride formation. Our ab initio generalized stacking-fault energy calculations showed remarkable effects of Sn on unstable-stacking energy and stacking-fault energy: these parameters for basal slip were considerably reduced while those for prismatic slip were increased in the presence of Sn. These results suggest selective stabilization and enhancement of dislocation spreading in the basal plane, promoting possible elementary processes of hydride precipitation with basal habit plane, i.e. screw-dislocation spreading and edge-dislocation emission in the basal plane.

Original languageEnglish
Pages (from-to)1665-1678
Number of pages14
JournalPhilosophical Magazine
Volume91
Issue number12
DOIs
Publication statusPublished - 2011 Apr 21

Keywords

  • cladding
  • first principle
  • hydride
  • niobium
  • tin
  • zircaloy
  • zirconium

ASJC Scopus subject areas

  • Condensed Matter Physics

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