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

IF 3.5 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Materials Science Pub Date : 2025-04-10 DOI:10.1007/s10853-025-10796-8

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

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引用次数: 0

Abstract

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

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了解HCP Zr多晶中氢化物析出机制：微力学方法

本文研究了热-机械循环过程中锆多晶中氢化物的析出。采用基于dft的锆晶格氢浓度支持的晶体塑性有限元方法模拟了中尺度氢化物在Zircaloy-4中的沉淀和溶解。在三晶情况下，晶体学、热机械载荷和弹塑性各向异性对氢化物成核和生长有影响。多晶模型的分析提供了对锆合金-4中氢化物复杂沉淀过程的新认识，并明确地表达了实验观测结果，为进一步研究该领域奠定了基础。微观力学结果表明微观结构、预热条件和氢浓度限制对氢化物析出的重要性。总体而言，该研究提供了对工业相关反应器条件下氢化物形成的更深入了解。图形抽象

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Materials Science 工程技术-材料科学：综合

CiteScore

7.90

自引率

4.40%

发文量

1297

审稿时长

2.4 months

期刊介绍： The Journal of Materials Science publishes reviews, full-length papers, and short Communications recording original research results on, or techniques for studying the relationship between structure, properties, and uses of materials. The subjects are seen from international and interdisciplinary perspectives covering areas including metals, ceramics, glasses, polymers, electrical materials, composite materials, fibers, nanostructured materials, nanocomposites, and biological and biomedical materials. The Journal of Materials Science is now firmly established as the leading source of primary communication for scientists investigating the structure and properties of all engineering materials.