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<p>This study focuses on the hydride precipitation in zirconium polycrystals during thermo-mechanical cycles. The precipitation and dissolution of mesoscale hydrides in Zircaloy-4 is modelled using crystal plasticity finite element methods supported with DFT-informed zirconium lattice hydrogen concentration. Results for a tri-crystal case show the effects of crystallography, thermo-mechanical load and elasto-plastic anisotropy on hydride nucleation and growth. Analyses of polycrystalline models provide new insights into the complex precipitation process of hydrides in Zircaloy-4 with explicit representation of experimental observations that lay the foundation for further research in this field. Micromechanical findings demonstrate the importance of microstructure, pre-thermal condition, and hydrogen concentration limit on hydride precipitation. Overall, the study provides a deeper understanding of hydride formation during industrially relevant reactor conditions.</p> Graphical abstract <p></p>

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Understanding the hydride precipitation mechanism in HCP Zr polycrystals: a micromechanical approach

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年4月10日

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  • Yang Liu,
  • Mark R. Wenman,
  • Catrin M. Davies,
  • Fionn P. E. Dunne

摘要

This study focuses on the hydride precipitation in zirconium polycrystals during thermo-mechanical cycles. The precipitation and dissolution of mesoscale hydrides in Zircaloy-4 is modelled using crystal plasticity finite element methods supported with DFT-informed zirconium lattice hydrogen concentration. Results for a tri-crystal case show the effects of crystallography, thermo-mechanical load and elasto-plastic anisotropy on hydride nucleation and growth. Analyses of polycrystalline models provide new insights into the complex precipitation process of hydrides in Zircaloy-4 with explicit representation of experimental observations that lay the foundation for further research in this field. Micromechanical findings demonstrate the importance of microstructure, pre-thermal condition, and hydrogen concentration limit on hydride precipitation. Overall, the study provides a deeper understanding of hydride formation during industrially relevant reactor conditions.

Graphical abstract