INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY |
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Phase-field simulations of the effect of temperature and interface for zirconium δ-hydrides |
Zi-Hang Chen(陈子航)1,2,3,†, Jie Sheng(盛杰)3,†, Yu Liu(刘瑜)3,‡, Xiao-Ming Shi(施小明)4, Houbing Huang(黄厚兵)1,2, Ke Xu(许可)1,2,3, Yue-Chao Wang(王越超)3, Shuai Wu(武帅)1,2,3, Bo Sun(孙博)3, Hai-Feng Liu(刘海风)3, and Hai-Feng Song(宋海峰)3 |
1 School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, China; 2 Advanced Research Institute of Multidisciplinary Science, Beijing Institute of Technology, Beijing 100081, China; 3 Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China; 4 Department of Physics, University of Science and Technology Beijing, Beijing 100083, China |
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Abstract Hydride precipitation in zirconium cladding materials can damage their integrity and durability. Service temperature and material defects have a significant effect on the dynamic growth of hydrides. In this study, we have developed a phase-field model based on the assumption of elastic behaviour within a specific temperature range (613 K—653 K). This model allows us to study the influence of temperature and interfacial effects on the morphology, stress, and average growth rate of zirconium hydride. The results suggest that changes in temperature and interfacial energy influence the length-to-thickness ratio and average growth rate of the hydride morphology. The ultimate determinant of hydride orientation is the loss of interfacial coherency, primarily induced by interfacial dislocation defects and quantifiable by the mismatch degree q. An escalation in interfacial coherency loss leads to a transition of hydride growth from horizontal to vertical, accompanied by the onset of redirection behaviour. Interestingly, redirection occurs at a critical mismatch level, denoted as qc, and remains unaffected by variations in temperature and interfacial energy. However, this redirection leads to an increase in the maximum stress, which may influence the direction of hydride crack propagation. This research highlights the importance of interfacial coherency and provides valuable insights into the morphology and growth kinetics of hydrides in zirconium alloys.
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Received: 25 November 2023
Revised: 04 January 2024
Accepted manuscript online: 17 January 2024
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PACS:
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82.20.Wt
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(Computational modeling; simulation)
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81.30.-t
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(Phase diagrams and microstructures developed by solidification and solid-solid phase transformations)
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05.70.Np
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(Interface and surface thermodynamics)
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Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. U2230401, U1930401, and 12004048), the National Key Research and Development Program of China (Grant No. 2021YFB3501503), the Science Challenge Project (Grant No. TZ2018002), and the Foundation of LCP. We thank the Tianhe platforms at the National Supercomputer Center in Tianjin. |
Corresponding Authors:
Yu Liu
E-mail: liu_yu@iapcm.ac.cn
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Cite this article:
Zi-Hang Chen(陈子航), Jie Sheng(盛杰), Yu Liu(刘瑜), Xiao-Ming Shi(施小明), Houbing Huang(黄厚兵), Ke Xu(许可), Yue-Chao Wang(王越超), Shuai Wu(武帅), Bo Sun(孙博), Hai-Feng Liu(刘海风), and Hai-Feng Song(宋海峰) Phase-field simulations of the effect of temperature and interface for zirconium δ-hydrides 2024 Chin. Phys. B 33 048201
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[1] Hedayat A 2017 Nuclear Engineering and Design 313 190 [2] Bair J, Zaeem M A and Tonks M 2015 J. Nucl. Mater. 466 12 [3] Motta A T, Capolungo L, Chen L Q, Cinbiz M N, Daymond M R, Koss D A, Lacroix E, Pastore G, Simon P C A, Tonks M R, et al. 2019 J. Nucl. Mater. 518 440 [4] Ensor B, Lucente A, Frederick M, Sutli J and Motta A 2017 J. Nucl. Mater. 496 301 [5] Ghosal S, Palit G and De P 2001 Mineral Procesing and Extractive Metallurgy Review 22 519 [6] Kim S, Kang J H and Lee Y 2022 J. Nucl. Mater. 559 153393 [7] Zuzek E, Abriata J, San-Martin A and Manchester F 1990 Bulletin of Alloy Phase Diagrams 11 385 [8] Daum R, Chu Y and Motta A 2009 J. Nucl. Mater. 392 453 [9] Puls M P 2012 The effect of hydrogen and hydrides on the integrity of zirconium alloy components:delayed hydride cracking (Springer Science & Business Media) [10] Han G, Zhao Y, Zhou C, Lin D Y, Zhu X, Zhang J, Hu S and Song H 2019 Acta Materialia 165 528 [11] Heo T W, Colas K B, Motta A T and Chen L Q 2019 Acta Materialia 181 262 [12] Colas K, Motta A, Almer J, Daymond M, Kerr M, Banchik A, Vizcaino P and Santisteban J R 2010 Acta Materialia 58 6575 [13] Colas K, Motta A, Daymond M, Kerr M and Almer J 2010 Journal of ASTM International 8 1 [14] Colas K B, Motta A T, Daymond M R and Almer J D 2013 J. Nucl. Mater. 440 586 [15] Kwon Y, Thornton K and Voorhees P W 2007 Phys. Rev. E 75 021120 [16] Seol D, Hu S, Li Y, Shen J, Oh K and Chen L 2003 Metals and Materials International 9 61 [17] Kwon Y, Thornton K and Voorhees P 2009 Europhys. Lett. 86 46005 [18] Mendoza R, Savin I, Thornton K and Voorhees P 2004 Nat. Mater. 3 385 [19] Boettinger W J, Warren J A, Beckermann C and Karma A 2002 Annual Review of Materials Research 32 163 [20] Yang C, Li S, Wang X, Wang J and Huang H 2020 Comput. Mater. Sci. 171 109220 [21] Yang C, Liu Y, Huang H, Wu S, Sheng J, Shi X, Wang J, Han G and Song H 2021 Mater. Res. Express 8 106518 [22] Wang Y U, Jin Y M and Khachaturyan A G 2004 Acta Mater. 52 81 [23] Shi X, Wang J, Xu J, Cheng X and Huang H 2022 Acta Mater. 237 118147 [24] Shi X, Wang J, Cheng X and Huang H 2022 Advanced Theory and Simulations 5 2100345 [25] Shi X, Wang J, Cheng X and Huang H 2022 Physica Status Solidi (RRL)-Rapid Research Letters 16 2100416 [26] Zhao Z, Blat-Yrieix M, Morniroli J, Legris A, Thuinet L, Kihn Y, Ambard A, Legras L, Limback M, Kammenzind B, et al. 2008 Characterization of zirconium hydrides and phase field approach to a mesoscopic-scale modeling of their precipitation (ASTM International) [27] Thuinet L, De Backer A and Legris A 2012 Acta Mater. 60 5311 [28] Thuinet L, Legris A, Zhang L and Ambard A 2013 J. Nucl. Mater. 438 32 [29] Ma X, Shi S Q, Woo C and Chen L 2002 Scripta Materialia 47 237 [30] Ma X, Shi S Q, Woo C and Chen L 2002 Mater. Sci. Eng. A 334 6 [31] Ma X, Shi S Q, Woo C and Chen L 2002 Computat. Mater. Sci. 23 283 [32] Ma X, Shi S Q, Woo C and Chen L 2006 Mechanics of Materials 38 3 [33] Shi S Q and Xiao Z 2015 J. Nucl. Mater. 459 323 [34] Bair J, Zaeem M A and Tonks M 2016 J. Phys. D:Appl. Phys. 49 405302 [35] Jokisaari A and Thornton K 2015 Calphad 51 334 [36] Bair J, Zaeem M A and Schwen D 2017 Acta Mater. 123 235 [37] Lin J l and Heuser B J 2019 Comput. Mater. Sci. 156 224 [38] Shin W and Chang K 2020 Comput. Mater. Sci. 182 109775 [39] Simon P C, Aagesen L K, Jokisaari A M, Chen L Q, Daymond M R, Motta A T and Tonks M R 2021 J. Nucl. Mater. 557 153303 [40] Wu S, Sheng J, Yang C, Shi X, Huang H, Liu Y and Song H 2022 Frontiers in Materials 9 916593 [41] Kim S G, Kim W T and Suzuki T 1999 Phys. Rev. E 60 7186 [42] Steinbach I and Apel M 2006 Physica D 217 153 [43] Dupin N, Ansara I, Servant C, Toolon C, Lemaignan C and Brachet J 1999 J. Nucl. Mater. 275 287 [44] Zhong Y and Macdonald D D 2012 J. Nucl. Mater. 423 87 [45] Sheng J, Wang Y C, Liu Y, Wu S, Xu K, Chen Z H, Sun B, Liu H F and Song H F 2022 Comput. Mater. Sci. 213 111663 [46] Sheng J, Liu Y, Shi X M, Wang Y C, Chen Z H, Xu K, Wu S, Huang H B, Sun B, Liu H F and Song H F 2024 Comput. Mater. Sci. 235 112779 [47] Mai W, Soghrati S and Buchheit R G 2016 Corrosion Science 110 157 [48] Yang C, Huang H, Liu W, Wang J, Wang J, Jafri H M, Liu Y, Han G, Song H and Chen L Q 2021 Adv. Theor. Simul. 4 2000162 [49] Morris Jr J 2010 Phil. Mag. 90 3 [50] Lubliner J 2008 Plasticity theory, revised edn. [51] Louchez M A, Thuinet L, Besson R and Legris A 2017 Comput. Mater. Sci. 132 62 [52] Zhang Y, Bai X M, Yu J, Tonks M R, Noordhoek M J and Phillpot S R 2016 Acta Mater. 111 357 [53] Olsson P, Massih A, Blomqvist J, Holston A M A and Bjerken C 2014 Comput. Mater. Sci. 86 211 [54] Porter D A and Easterling K E 2009 Phase transformations in metals and alloys (revised reprint) (CRC press) [55] Steinbrück M, Birchley J, Boldyrev A, Goryachev A, Grosse M, Haste T, H ozer Z, Kisselev A, Nalivaev V, Semishkin V, et al. 2010 Prog. Nucl. Energy 52 19 [56] Jokisaari A M 2016 Multiphysics Phase Field Modeling of Hydrogen Diffusion and δ-Hydride Precipitation in α-Zirconium (Ph.D. thesis) [57] Massih A R and Jernkvist L O 2009 Comput. Mater. Sci. 46 1091 [58] Liu S M, Ishii A, Mi S B, Ogata S, Li J and Han W Z 2022 Small 18 2105881 |
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