• NUCLEAR TECHNIQUES
  • Vol. 47, Issue 9, 090603 (2024)
Hengfeng GONG*, Jun YAN, Sigong LI, Yang LIU..., Mengteng CHEN, Qisen REN, Jiaxiang XUE and Yehong LIAO|Show fewer author(s)
Author Affiliations
  • Nuclear Fuel and Materials Department, China Nuclear Power Technology Research Institute Co., Ltd, Shenzhen 518033, China
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    DOI: 10.11889/j.0253-3219.2024.hjs.47.090603 Cite this Article
    Hengfeng GONG, Jun YAN, Sigong LI, Yang LIU, Mengteng CHEN, Qisen REN, Jiaxiang XUE, Yehong LIAO. The diffusion behavior of oxygen and hydrogen in Chromium coating on fuel cladding[J]. NUCLEAR TECHNIQUES, 2024, 47(9): 090603 Copy Citation Text show less
    The possible occupied sites for X element (X: O atom or H atom) in Cr primitive cell (a) TIS, (b) OIS, (c) SS. The blue ball means Cr atom, red ball means O or H atom (color online)
    Fig. 1. The possible occupied sites for X element (X: O atom or H atom) in Cr primitive cell (a) TIS, (b) OIS, (c) SS. The blue ball means Cr atom, red ball means O or H atom (color online)
    The oxygen diffusion along the TIS→TIS reaction coordinate and the corresponding migration energy barrier
    Fig. 2. The oxygen diffusion along the TIS→TIS reaction coordinate and the corresponding migration energy barrier
    Oxygen diffusion along the TIS→OIS→TIS reaction coordinate and the corresponding migration energy barrier
    Fig. 3. Oxygen diffusion along the TIS→OIS→TIS reaction coordinate and the corresponding migration energy barrier
    Hydrogen diffusion along the TIS→TIS reaction coordinate and the corresponding migration energy barrier
    Fig. 4. Hydrogen diffusion along the TIS→TIS reaction coordinate and the corresponding migration energy barrier
    Hydrogen diffusion along the TIS→OIS→TIS reaction coordinate and the corresponding migration energy barrier
    Fig. 5. Hydrogen diffusion along the TIS→OIS→TIS reaction coordinate and the corresponding migration energy barrier
    Variation of the diffusion coefficient with temperature for the oxygen atom and hydrogen atom in the Cr crystal
    Fig. 6. Variation of the diffusion coefficient with temperature for the oxygen atom and hydrogen atom in the Cr crystal

    X原子(O原子或H原子)

    X atom (O atom or H atom)

    TISOISSS
    氧O-0.83-1.381.71
    氢H0.500.7710.43
    Table 1. The solution energy of oxygen and hydrogen in the Cr supercell at the TIS, OIS and SS, respectively (eV)

    位置

    Sites

    溶解能

    Solution energy

    机械贡献

    Mechanical contribution

    (MC)

    电子贡献

    Electronic contribution

    (EC)

    铬晶格弛豫前键长

    Cr-X distance (BR)

    铬晶格弛豫后键长

    Cr-X distance (AR)

    TIS (O)-0.83-5.194.361.611.69
    OIS (O)-1.38-5.744.361.431.21
    TIS (H)0.50-2.893.391.611.67
    OIS (H)0.77-2.623.391.721.59
    Table 2. The solution energy is comprised of mechanical contribution (MC) and electronic contribution (EC). The Cr-X first neighbor distance (Å) before relaxation and after relaxation are calculated, respectively
    Hengfeng GONG, Jun YAN, Sigong LI, Yang LIU, Mengteng CHEN, Qisen REN, Jiaxiang XUE, Yehong LIAO. The diffusion behavior of oxygen and hydrogen in Chromium coating on fuel cladding[J]. NUCLEAR TECHNIQUES, 2024, 47(9): 090603
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