NUCLEAR TECHNIQUES, Volume. 48, Issue 5, 050604(2025)

Molecular dynamics study of the influence of hydrides on the tensile properties of zirconium

Xiaoya LIU, Yan MA*, and Zhixin ZHANG
Author Affiliations
  • College of Nuclear Science and Engineering, North China Electric Power University, Beijing 102206, China
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    Figures & Tables(11)
    HCP structure Zr matrix (a) Crystal direction and X, Y, Z axis direction, (b) Initial model
    Different densities of hydride placed in Zr matrix (a) A layer of hydride, (b) Five layers of hydride
    Stress-strain curves corresponding to Zr substrates with different hydride densities
    Yield strength and Young's modulus of the Zr-based model correspond to different hydride densities
    Stress concentration and dislocation during tensile simulation with the hydride density of 154 µg·g-1 at strain 0.12 (a) Dislocation defects around the hydride, (b) Locally amplified dislocation defect regions, (c) Stress concentration around the hydride
    Microstructure evolution during tensile simulation with different hydride densities (a) 154 µg·g-1, (b) 308 µg·g-1, (c) 402 µg·g-1, (d) 616 µg·g-1
    Hydride tip stress values in tensile simulation with different hydride densities
    Length variation curve of dislocation line in tensile simulation with different hydride densities
    Dislocation evolution during the tensile simulation with the hydride density of 1 078 µg·g-1 under different strains (a) Strain is 0.09, (b) Strain is 0.12
    Stress cloud diagram of different hydride densities at strain 0.08 (a) 1 078 µg·g-1, (b) 1 386 µg·g-1
    • Table 1. Different hydride densities correspond to the number of hydride layers

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      Table 1. Different hydride densities correspond to the number of hydride layers

      氢化物层数

      Number of hydride

      layers

      123456789101112131415

      氢化物密度

      Hydride density / µg·g-1

      1543084626167709241 0781 2321 3861 5401 6951 8492 0032 1572 311
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    Xiaoya LIU, Yan MA, Zhixin ZHANG. Molecular dynamics study of the influence of hydrides on the tensile properties of zirconium[J]. NUCLEAR TECHNIQUES, 2025, 48(5): 050604

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    Paper Information

    Category: NUCLEAR ENERGY SCIENCE AND ENGINEERING

    Received: Jun. 7, 2024

    Accepted: --

    Published Online: Jun. 26, 2025

    The Author Email: Yan MA (马雁)

    DOI:10.11889/j.0253-3219.2025.hjs.48.240230

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