-
本工作利用腐蚀电化学计算腐蚀界面能，构建了锆合金腐蚀过程的相场模型。首先，利用所建立的模型模拟了Zr-2.5Sn合金均匀腐蚀过程，模拟结果显示该合金的腐蚀动力学曲线符合立方规律，与实验结果一致。分析发现，在氧化层生成的初期，氧化层生长速率很高，但是受温度的影响不明显；随着氧化层厚度的增长，温度对氧化层生长曲线的影响变大，温度越高腐蚀速率越快。多晶Zr-2.5Sn合金腐蚀行为的模拟结果表明，在锆合金基体晶界处由于具有更大的氧扩散速率，氧化速率加快，并在金属-氧化层界面朝向金属基体一侧了形成沿晶界的具有更高浓度的O2-带，且对氧化腐蚀速率的影响主要表现在氧化初期；相场模拟获得的腐蚀动力学曲线与实验结果符合非常好。
-
关键词:
- 相场模拟 /
- Zr-2.5Sn合金 /
- 腐蚀动力学 /
- 晶界腐蚀
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. It is of great significance to establish a phase field simulation for the corrosion process of polycrystalline zirconium alloy and systematically investigate the thermodynamic impact. In this study, the phase field model of the corrosion process in zirconium alloys was developed by incorporating corrosion electrochemistry to calculate the interfacial energy at the metal-oxide and oxide-fluid boundaries. Then model was then employed to investigate the uniform corrosion behavior on the surface of Zr-2.5Sn alloy, which demonstrated that the corrosion kinetics curve followed a cubic rule. Subsequently, the influence of temperature on the corrosion thickening curve of zirconium alloys was examined, and good agreement between simulation and experimental results was achieved. It was observed that during early stages 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, an investigation into the effect of polycrystalline zirconium alloy matrices on corrosion rates revealed that grain boundaries accelerate oxide layer thickening due to enhanced oxygen diffusion rates. Along these grain boundaries towards the metal matrix at metal-oxide interfaces, regions with higher O2- concentrations form an O2- band which primarily influences oxidation-corrosion rates during initial oxidation stages.-
Keywords:
- phase field /
- Zr-Sn alloy /
- corrosion kinetics /
- grain boundary corrosion
-
[1] Kai J J, Huang W I, Chou H Y 1990 J. Nucl. Mater 170 193
[2] Zhao W, Quan Q, Zhang S, Yang X, Wen H, Wu Y, Liu X, Cao X, Wang B 2023 Radiat. Phys. Chem. 209 110986
[3] Cann C D, So C B, Styles R C, Coleman C E 1993 J. Nucl. Mater. 205 267
[4] Jones R H, Simonen E P 1994 Mater. Sci. Eng. 176 211
[5] Hu J, Liu J L, Lozano P S, Grovenor C R M, Christensen M, Wolf W, Wimmer E, Mader E V 2019 Acta Mater. 180 105
[6] Wei T, Dai X, Long C, Sun C, Long S, Zheng J, Wang P, Jia Y, Zhang J 2021 Corros. Sci. 192 109808
[7] Tian Z, Peng J, Lin X, Hu Y, Yao M, Xie Y, Liang X, Zhou B 2024 Corros. Sci. 202 111937
[8] Ferreirós P A, Polack E C S, Lanzani L A, Alonso P R, Quirós P D, Mieza J I, Rubiolo G H 2021 J. Nucl. Mater 553 153039
[9] Jiang G, Xu D, Yang W, Liu L, Zhi Y, Yang J 2022 Prog. Nucl. Energy 154 104490
[10] Yuan R, Xie Y P, Li T, Xu C H, Yao M Y, Xu J X, Guo H B, Zhou B X 2021 Acta Mater. 209 116804
[11] Mcdeavitt S M, Billings G W, Indacochea J E 2002 J. Mater. Sci. 37 3765
[12] Jerlerud P R, Toffolon M C, Joubert J M, Sundman B 2008 CALPHAD 32 593
[13] Asle Zaeem M, El Kadiri H 2014 Comput. Mater. Sci. 89 122
[14] Zhang G, Wang Q, Sha L T, Li Y J, Wang D, Shi S Q 2020 Acta Phys. Sin 69 226401(in Chinese)[张更，王巧，沙立婷，李亚捷，王达，施思齐 2020 物理学报 69 226401]
[15] Chen L Q, Zhao Y 2022 Prog. Mater. Sci. 124 100868
[16] Chen L Q 2002 Annu. Rev. Mater. Res. 32 113
[17] Liu X X, Liu W B, Li B Y, He X F, Yang Z X, Yun D 2022 Acta Metal. Sin 58 943(in Chinese)[刘续希，柳文波，李博岩，贺新福，杨朝曦，恽迪 2022 金属学报 58 943]
[18] Mai W, Soghrati S 2017 Corros. Sci. 125 87
[19] Fang X R, Pan Z C, Ma R J, Chen A R 2023 Comput. Method. Appl. M 414
[20] Feng L, Wang Z P, Lu Y, Zhu C S 2008 Acta Phys. Sin 57 1084 (in Chinese)[冯力，王智平，路阳，朱昌盛 2008 物理学报 57 1084]
[21] Yang C, Huang H B, Liu W B, Wang J S, Wang J, Jafri H M, Liu Y, Han G M, Song H F, Chen L Q 2021 Adv. Theor. Simul. 4 2000162
[22] Zhou F Y, Qiu K J, Bian D, Zheng Y F, Lin J P 2014 J. Mater. Sci. Technol. 30 299
[23] Dinsdale A T 1991 CALPHAD 15 317
[24] Aricó S F, Gribaudo L M, 1999 Scripta Mater. 41 159
[25] Wang C, Zinkevich M, Aldinger F 2004 CALPHAD 28 281
[26] Yin T, Lee J, Moosavi K E, Jung I H 2021 Ceram. Int. 47 29267
[27] Isomäki I, Hämäläinen M, Gierlotka W, Onderka B, Fitzner K 2006 J. Alloys Compd. 422 173
[28] Fang X R, Pan Z C, Chen A R, Tian H, Ma R J 2023 Eng. Fract. Mech. 281 109131
[29] Allen S M, Cahn J W 1979 Acta Metall. 27 1085
[30] Larché F C, Cahn J W 1985 Acta Metall. 33 331
[31] Cahn J W 1961 Acta Metall. 9 795
[32] Cox B, Pemsler J P 1968 J. Nucl. Mater 28 73
[33] Ritchie I G, Atrens A 1977 J. Nucl. Mater 67 254
[34] Keneshea F J, Douglass D L 1971 Oxid. Met. 3 1
[35] Jiang Y B, Liu W B, Sun Z P, La Y X, Yun D 2022 Acta Phys. Sin 71 026103(in Chinese)[姜彦博，柳文波，孙志鹏，喇永孝，恽迪 2022 物理学报 71 026103]
[36] Qiu K, Wang R, Peng C, Lu X, Wang N 2015 CALPHAD 48 175
[37] Fisher E, Renken C 1964 Phys. Rev. 135 A482
[38] Fogaing E Y, Lorgouilloux Y, Huger M, Gault C P 2006 J. Mater. Sci. 41 7663
[39] Mirgorodsky A, Smirnov M, Quintard P 1997 Phys. Rev. B 55 19
[40] Fan D, Chen L Q 1997 Acta Mater. 45 611
[41] Liu J Z 2007 Nuclear Structure Material (Beijing: Chemical Industry Press) p89 (in Chinese)[刘建章 2007 核结构材料 (北京: 化学工业出版社) 第89页]
[42] Bi Y, Zhang X, Lu L, Xu Z, Xie Z, Chen B, Liang Z, Sun Z, Luo Z 2023 J. Mater. Res. Technol. 26 5888
[43] Gwinner B, Bataillon C, Chelagemdib R, Gruet N, Lorentz V, Puga B 2023 Electrochim. Acta 470 143334
[44] Zhang M H, Liu S D, Jiang J Y, Wei W C 2023 T Nonferr Metal. Soc. 33 1963
[45] Liu J L, Yu H B, Karamched P, Hu J, He G Z, Goran D, Hughes G M, Wilkinson A J, Sergio L P, Grovenor C R 2019 Acta Mater. 179 328
计量
- 文章访问数: 149
- PDF下载量: 3
- 被引次数: 0
下载:
