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Abstract

Due to the small neutron absorption cross section and excellent thermal creep performance, zirconium alloy is one of the most important cladding materials for fuel rods in commercial fission reactors. However, quantitative analysis of the effects of temperature and grain boundaries on the corrosion microstructure evolution of zirconium alloys is still needed. The establishing of a phase field simulation for the corrosion process of polycrystalline zirconium alloy and the systematical investigating of the thermodynamic influence are both very important. In this study, the phase field model of the corrosion process in zirconium alloys is developed by combining corrosion electrochemistry through calculating the interfacial energy at the metal-oxide and oxide-fluid boundaries. Then the model is used to investigate the uniform corrosion behavior on the surface of Zr-2.5Sn alloy, which demonstrates that the corrosion kinetic curve follows a cubic rule. Subsequently, the influence of temperature on the corrosion thickening curve of zirconium alloy is examined, and good agreement between simulation and experimental results is achieved. It is observed that during early stage of oxide layer formation, there is a high growth rate with minimal temperature dependence; however, as the oxide layer thickness increases, temperature becomes a significant factor affecting its growth rate, with higher temperatures resulting in faster corrosion rates. Furthermore, the effect of polycrystalline zirconium alloy matrices on corrosion rate is investigated, revealing that the grain boundaries accelerate oxide layer thickening due to enhanced oxygen diffusion rates. At metal-oxide interface, O ^2–bands are formed in areas with higher O ^2–concentration along these grain boundaries towards the metal matrix, which mainly influences oxidation-corrosion rate during the initial oxidation stage.

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Authors and contacts

Corresponding author:Liu Wen-Bo,liuwenbo@xjtu.edu.cn

Funds:Project supported by the Joint Fund of the National Natural Science Foundation of China and the China Academy of Engineering Physics (Grant No. U2130105) and the China National Nuclear Corporation Limited Leading Innovation Research Project, China.

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References

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Parameter	Value	Reference
E_Zr/(J·m^–3)	$-7827.6 + 125.65T - 24.1618T\ln T - 4.38{\rm e}^{-3} T^3 + 34971T^{-1} $	[23]
E_Sn/(J·m^–3)	$2524.7 + 4.00T - 8.26T \lnT - 16.81{\rm e}^{-3} T^2 + 2.62 {\rm e}^{-6}T^3 - 1.08{\rm e}^6 T^{-1} $	[23]
E_O/(J·m^–3)	$-3480.9 - 25.50T - 11.13T\ln T - 5.10 {\rm e}^{-3}T^2 + 0.66 {\rm e}^{-6}T^3 - 38365T^{-1} $	[23]
A_ZrSn	$-148022.5+19.41T+(173681.9-22T)(c_{\rm Zr}-c_{\rm Sn}) + 104271.96(c_{\rm Zr}-c_{Sn})^2 $	[24]
A_ZrO	$-37876.66+17.2915T - 4471.4(c_{\rm Zr}-c_{\rm O}) $	[25]
A_SnO	140878 – 23.9326T	[26,35]
$g_2^0$	$-1117869+420.3T - 69.6T\ln T - 0.003766T^2 + 702910T^{-1} +4.59 {\rm e}^{-21}T^7 $	[25]
$ g_3^0 $	0
k₂/(J·m^–3)	2.5 × 10⁵	[13]
k₃/(J·m^–3)	2.5 × 10⁵	[13]

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Temperature/K	D₁/(m²·s^–1)	D₂/(m²·s^–1)	D₃/(m²·s^–1)	D_GB/(m²·s^–1)
633	3.99×10^–17	1.61×10^–17	2.98×10^–17	1.46×10^–16
653	1.26×10^–16	5.18×10^–17	8.77×10^–17	8.11×10^–16
673	3.09×10^–16	1.11×10^–16	2.25×10^–16	3.76×10^–15
693	1.04×10^–15	3.69×10^–16	7.64×10^–16	2.82×10^–14

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Parameter	Value	Ref.	Parameter	Value	Ref.
$ {C}_{11}^{1} $	106.4 GPa	[37]	$ {C}_{11}^{2} $	395 GPa	[38,39]
$ {C}_{12}^{1} $	84 GPa	[37]	$ {C}_{12}^{2} $	26 GPa	[38,39]
$ {C}_{13}^{1} $	656 GPa	[37]	$ {C}_{13}^{2} $	105 GPa	[38,39]
$ {C}_{66}^{1} $	10.5 GPa	[37]	$ {C}_{66}^{2} $	56 GPa	[38,39]

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Vol. 73, Issue 14 - 2024-07-20

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