NUCLEAR TECHNIQUES, Volume. 47, Issue 9, 090603(2024)
The diffusion behavior of oxygen and hydrogen in Chromium coating on fuel cladding
Figures & Tables(8)
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)
Fig. 2. The oxygen diffusion along the TIS→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
Fig. 4. Hydrogen diffusion along the TIS→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
Fig. 6. Variation of the diffusion coefficient with temperature for the oxygen atom and hydrogen atom in the Cr crystal
Table 1. The solution energy of oxygen and hydrogen in the Cr supercell at the TIS, OIS and SS, respectively (eV)
View tableView in ArticleTable 1. The solution energy of oxygen and hydrogen in the Cr supercell at the TIS, OIS and SS, respectively (eV)
X原子(O原子或H原子)
X atom (O atom or H atom)
TIS OIS SS 氧O -0.83 -1.38 1.71 氢H 0.50 0.77 10.43
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
View tableView in ArticleTable 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
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 -5.19 4.36 1.61 1.69 OIS (O) -1.38 -5.74 4.36 1.43 1.21 TIS (H) 0.50 -2.89 3.39 1.61 1.67 OIS (H) 0.77 -2.62 3.39 1.72 1.59
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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
Paper Information
Category: NUCLEAR ENERGY SCIENCE AND ENGINEERING
Received: Oct. 24, 2023
Accepted: --
Published Online: Nov. 13, 2024
The Author Email: GONG Hengfeng (gonghf887@163.com)
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