中子辐照诱导钨再结晶的模拟研究

张国帅; 尹超; 王兆繁; 陈泽; 毛世峰; 叶民友

doi:10.7498/aps.72.20230531

摘要

钨作为未来聚变堆偏滤器靶板的候选材料, 需要长期服役在高温且受到高能中子辐照的严峻环境, 这将导致钨发生中子辐照诱导再结晶, 从而提高钨发生沿晶脆断的可能性, 威胁偏滤器的运行安全, 因此研究中子辐照诱导钨再结晶的物理机制具有重要意义. 然而, 与最近高通量同位素反应(HFIR)堆高温下中子辐照实验观察到的结果相比, 目前考虑辐照增强再结晶驱动力效应的模型低估了中子辐照对再结晶的影响, 结果表明仍有其他效应影响再结晶过程. 基于此, 本文在假设晶界迁移率与自体扩散系数成正比的前提下, 引入辐照增强晶界迁移因子(R), 建立了新的辐照诱导再结晶动力学模型. 模拟结果显示, 在综合考虑辐照增强再结晶驱动力和晶界迁移效应后, 模型计算出的850 ℃下达到一半再结晶分数所需要的时间($ {{t}}_{{X}{}={}0.5} $)和HFIR堆中子辐照实验结果相符, 这表明辐照增强晶界迁移效应是影响辐照诱导再结晶现象的重要因素之一. 另外, 模型研究了不同辐照温度下钨的$ {{t}}_{{X}{=0.5}} $. 结果表明辐照与未辐照的$ {{t}}_{{X}{=0.5}} $差别随温度升高而逐渐下降. 这是因为随着温度的升高, 辐照缺陷复合加剧, 辐照缺陷对再结晶驱动力的贡献下降, 且热激活扩散系数增大的幅度大于辐照下扩散系数的增大幅度, 所以热激活效应会逐渐主导再结晶过程.

关键词:

Abstract

Tungsten is the candidate for divertor target material in future fusion reactors. The tungsten divertor target is expected to long serve in a harsh environment of high temperature and high-energy neutron irradiation. This can lead to neutron irradiation-induced recrystallization of tungsten, thereby increasing the possibility of intergranular brittle failure and compromising the safe operation of the divertor. Thus, clarifying the mechanism of neutron irradiation-induced tungsten recrystallization is important. However, the current model, which only considers the irradiation-enhanced effect on recrystallization driving force, underestimates the irradiation effect on recrystallization compared with the results observed in recent high-temperature neutron irradiation experiments in the HFIR reactor. It indicates that other irradiation effects can also influence the recrystallization process.In this study, we introduce the irradiation-enhanced grain boundary migration factor (R) into the established irradiation-induced recrystallization kinetic model, on the assumption that the grain boundary migration velocity is proportional to the self-diffusion coefficient. The simulation results show that after considering both irradiation-enhanced recrystallization driving force and grain boundary migration effect, the calculated half-recrystallization time (${t}_{{X}\text{}=\text{}0.5}$) at 850 ℃ from the model matches the one obtained in the neutron irradiation experiment in the HFIR reactor. This result indicates that the irradiation-enhanced grain boundary migration effect is one of the important factors affecting irradiation-induced recrystallization. In addition, the difference between irradiated and unirradiated t_X=0.5 decreases with temperature increasing. This phenomenon is due to the fact that as the temperature increases, the contribution of irradiation defects to the driving force for recrystallization decreases owing to the irradiation defect recombination. Moreover, the increase of thermal activation diffusion coefficient is more significant than the increase of the irradiation-enhanced diffusion coefficient. These findings suggest that the thermal activation effect eventually dominates the recrystallization process over the irradiation effect as temperature increases.

Keywords:

作者及机构信息

中国科学技术大学核科学技术学院, 合肥　230026

通信作者: 尹超, chaoyin@ustc.edu.cn ; 叶民友, yemy@ustc.edu.cn

基金项目: 国家自然科学基金联合基金(批准号: U2267208)、中国博士后科学基金(批准号: 2021M703113)、中国科学院台湾青年人才计划(批准号: 2021TWGB0001)、安徽省高校协同创新项目(批准号: GXXT-2021-026)、中国科学院合肥大科学中心协同创新培育基金项目(批准号: 2022HSC-CIP010)和中央高校基本科研业务费专项资金(批准号: WK2140000015)资助的课题.

Authors and contacts

School of Nuclear Sciences and Technology, University of Science and Technology of China, Hefei 230026, China

Corresponding author: Yin Chao, chaoyin@ustc.edu.cn ; Ye Min-You, yemy@ustc.edu.cn

Funds: Project supported by the Joint Funds of the National Natural Science Foundation of China (Grant No. U2267208), the China Postdoctoral Science Foundation (Grant No. 2021M703113), the Chinese Academy of Sciences Taiwan Young Talent Program, China (Grant No. 2021TWGB0001), the University Synergy Innovation Program of Anhui Province, China (Grant No. GXXT-2021-026), the Collaborative Innovation Program of Hefei Science Center, Chinese Academy of Sciences, China (Grant No. 2022HSC-CIP010), and the Fundamental Research Funds for the Central Universities of China (Grant No. WK2140000015).

[1]	Philipps V 2011 J. Nucl. Mater. 415 S2 Google Scholar
[2]	Rieth M, Dudarev S L, Gonzalez de Vicente S M, et al. 2013 J. Nucl. Mater. 432 482 Google Scholar
[3]	Norajitra P, Abdel-Khalik S I, Giancarli L M, Ihli T, Janeschitz G, Malang S, Mazul I V, Sardain P 2008 Fusion Eng. Des. 83 893 Google Scholar
[4]	Abernethy R G 2017 J. Mater. Sci. Technol. 33 388 Google Scholar
[5]	Coenen J W, Antusch S, Aumann M, et al. 2016 Phys. Scr. T 2016 014002 Google Scholar
[6]	Hu X, Koyanagi T, Fukuda M, Katoh Y, Snead L L, Wirth B D 2016 J. Nucl. Mater. 480 235 Google Scholar
[7]	Lopez A A 2015 Ph. D. Dissertation (Copenhagen: Technical University of Denmark)
[8]	Alfonso A, Jensen D J, Luo G N, Pantleon W 2014 J. Nucl. Mater. 455 591 Google Scholar
[9]	Kang W A, Dr A, Xiang Z, Lla B, Xz B, Ywab C 2021 Mater. Sci. Eng. A 806 140828 Google Scholar
[10]	Budaev V P, Martynenko Y V, Karpov A V, Belova N E, Zhitlukhin A M 2015 J. Nucl. Mater. 463 237 Google Scholar
[11]	Bonnekoh C, Reiser J, Hartmaier A, Bonk S, Hoffmann A, Rieth M 2020 J. Mater. Sci. 55 12314 Google Scholar
[12]	Ciucani U M, Thum A, Devos C, Pantleon W 2019 Nucl. Mater. Energy 20 100701 Google Scholar
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[14]	Duerrschnabel M, Klimenkov M, Jaentsch U, Rieth M, Schneider H C, Terentyev D 2021 Sci. Rep. 11 7572 Google Scholar
[15]	Klimenkov M, Jaentsch U, Rieth M, Schneider H C, Armstrong D E J, Gibson J, Roberts S G 2016 Nucl. Mater. Energy 9 480 Google Scholar
[16]	Fukuda M, Kumar N A P K, Koyanagi T, Garrison L M, Snead L L, Katoh Y, Hasegawa A 2016 J. Nucl. Mater. 479 249 Google Scholar
[17]	Fukuda M, Tanno T, Nogami S, Hasegawa A 2012 Mater. Trans. 53 2145 Google Scholar
[18]	Ma P W, Mason D R, Dudarev S L 2020 Phys. Rev. Mater. 4 103609 Google Scholar
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[21]	Barbu A, Clouet E 2007 Solid State Phenom. 129 51 Google Scholar
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[24]	Setyawan W, Nandipati G, Roche K J, Heinisch H L, Wirth B D, Kurtz R J 2015 J. Nucl. Mater. 462 329 Google Scholar
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[32]	Li Y G, Zhou W H, Ning R H, Huang L F, Zeng Z, Ju X 2012 Commun. Comput. Phys. 11 1547 Google Scholar
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[34]	Fanfoni M, Tomellini M 1998 Il Nuovo Cimento D 20 1171 Google Scholar
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[37]	Yi X, Jenkins M L, Kirk M A, Zhou Z, Roberts S G 2016 Acta Mater. 112 105 Google Scholar
[38]	Yi X 2014 Ph. D. Dissertation (Oxford: University of Oxford) pp207–234
[39]	Was G S 2017 Fundamentals of Radiation Materials Science (Berlin: Springer) pp191—203
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[43]	Li Y H, Zhou H B, Jin S, Zhang Y, Deng H, Lu G H 2017 Nucl. Fusion 57 046006 Google Scholar
[44]	You Y W, Kong X S, Wu X, Liu C S, Fang Q F, Chen J L, Luo G N 2017 Nucl. Fusion 57 086006 Google Scholar
[45]	Setyawan W, Selby A P, Juslin N, Stoller R E, Wirth B D, Kurtz R J 2015 J. Phys. Condens. Matter 27 225402 Google Scholar
[46]	Nes E, Ryum N, Hunderi O 1985 Acta Metall. 33 11 Google Scholar

施引文献

图 1 使用JMAK模型拟合钨等温退火实验再结晶分数的演变, 拟合用实验数据取自Lopez^[7]

Fig. 1. Using the JMAK model to fit the evolution of the recrystallization fraction in the isothermal annealing experiment of pure tungsten, the experimental data used for the fitting were taken from Lopez^[7].

下载: 全尺寸图片幻灯片

图 2 不同中子辐照温度下的缺陷团簇尺寸与密度随辐照时间的演变　(a), (c), (e), (g), (i), (k)分别为V团簇在750, 850, 950, 1100, 1200, 1300 ℃下的演变; (b), (d), (f), (h), (j), (l) 分别为I团簇在750, 850, 950, 1100, 1200, 1300 ℃下的演变

Fig. 2. Evolution of defect cluster size and density with irradiation time at different neutron irradiation temperatures: (a), (c), (e), (g), (i), (k) Evolution of V cluster at 750, 850, 950, 1100, 1200, 1300 ℃; (b), (d), (f), (h), (j), (l) I clusters evolution of cluster at 750, 850, 950, 1100, 1200, 1300 ℃.

下载: 全尺寸图片幻灯片

图 3 不同温度下V_n与V发生反应的速率系数　(a)不同温度下V_n吸收V反应的速率系数; (b)不同温度下V_n+1发射V反应的速率系数

Fig. 3. Rate coefficients of the reaction between V_n and V at different temperatures: (a) Rate coefficients of V_n absorption V reactions at different temperatures; (b) rate coefficients of V_n+1 emission V reactions at different temperatures.

下载: 全尺寸图片幻灯片

图 4 (a)不同辐照温度下P的演变; (b)在截取的时间点处不同辐照温度下P的占比; (c)不同辐照温度下R的演变; (d)不同辐照温度下P×M的演变

Fig. 4. (a) Evolution of driving force P at different irradiation temperatures; (b) proportion of defects contribution to driving force at different irradiation temperatures and time; (c) evolution of R at different irradiation temperatures; (d) evolution of product of driving force and grain boundary mobility (P×M) at different irradiation temperatures.

下载: 全尺寸图片幻灯片

图 5 只考虑辐照增强P及同时考虑辐照增强P和M (P+M)的再结晶分数演变曲线

Fig. 5. Recrystallization fraction (X) evolution curve considering only irradiation enhancement on driving force (P) and both irradiation enhancement driving force and grain boundary mobility (P+M).

下载: 全尺寸图片幻灯片

图 6 中子辐照下与未辐照下钨的半再结晶时间(${t_{X = 0.5}}$)随温度的演变

Fig. 6. Evolution of semi-recrystallization time (${t_{X = 0.5}}$) of tungsten under neutron irradiation and non-irradiation with temperature.

下载: 全尺寸图片幻灯片

表 1 CD模型模拟HFIR堆中子辐照钨的源项相关参数

Table 1. Parameters related to source term of neutron irradiated tungsten in HFIR reactor simulated by CD model.

参数 NRT_dpa
/(10^–7 dpa·s^–1) S_dpa
/(10^–8 dpa·s^–1) G_tot
/(10²¹ m^–3·s^–1)

数值 2.16 6.41 4.06

下载: 导出CSV

[1]	Philipps V 2011 J. Nucl. Mater. 415 S2 Google Scholar
[2]	Rieth M, Dudarev S L, Gonzalez de Vicente S M, et al. 2013 J. Nucl. Mater. 432 482 Google Scholar
[3]	Norajitra P, Abdel-Khalik S I, Giancarli L M, Ihli T, Janeschitz G, Malang S, Mazul I V, Sardain P 2008 Fusion Eng. Des. 83 893 Google Scholar
[4]	Abernethy R G 2017 J. Mater. Sci. Technol. 33 388 Google Scholar
[5]	Coenen J W, Antusch S, Aumann M, et al. 2016 Phys. Scr. T 2016 014002 Google Scholar
[6]	Hu X, Koyanagi T, Fukuda M, Katoh Y, Snead L L, Wirth B D 2016 J. Nucl. Mater. 480 235 Google Scholar
[7]	Lopez A A 2015 Ph. D. Dissertation (Copenhagen: Technical University of Denmark)
[8]	Alfonso A, Jensen D J, Luo G N, Pantleon W 2014 J. Nucl. Mater. 455 591 Google Scholar
[9]	Kang W A, Dr A, Xiang Z, Lla B, Xz B, Ywab C 2021 Mater. Sci. Eng. A 806 140828 Google Scholar
[10]	Budaev V P, Martynenko Y V, Karpov A V, Belova N E, Zhitlukhin A M 2015 J. Nucl. Mater. 463 237 Google Scholar
[11]	Bonnekoh C, Reiser J, Hartmaier A, Bonk S, Hoffmann A, Rieth M 2020 J. Mater. Sci. 55 12314 Google Scholar
[12]	Ciucani U M, Thum A, Devos C, Pantleon W 2019 Nucl. Mater. Energy 20 100701 Google Scholar
[13]	Gietl H, Koyanagi T, Hu X, Fukuda M, Hasegawa A, Katoh Y 2022 J. Alloys Compd. 901 163419 Google Scholar
[14]	Duerrschnabel M, Klimenkov M, Jaentsch U, Rieth M, Schneider H C, Terentyev D 2021 Sci. Rep. 11 7572 Google Scholar
[15]	Klimenkov M, Jaentsch U, Rieth M, Schneider H C, Armstrong D E J, Gibson J, Roberts S G 2016 Nucl. Mater. Energy 9 480 Google Scholar
[16]	Fukuda M, Kumar N A P K, Koyanagi T, Garrison L M, Snead L L, Katoh Y, Hasegawa A 2016 J. Nucl. Mater. 479 249 Google Scholar
[17]	Fukuda M, Tanno T, Nogami S, Hasegawa A 2012 Mater. Trans. 53 2145 Google Scholar
[18]	Ma P W, Mason D R, Dudarev S L 2020 Phys. Rev. Mater. 4 103609 Google Scholar
[19]	Mannheim A, van Dommelen J A W, Geers M G D 2018 Mech. Mater. 123 43 Google Scholar
[20]	Mannheim A, van Dommelen J A W, Geers M G D 2019 Comput. Mater. Sci. 170 109146 Google Scholar
[21]	Barbu A, Clouet E 2007 Solid State Phenom. 129 51 Google Scholar
[22]	Gilbert M R, Marian J, Sublet J C 2015 J. Nucl. Mater. 467 121 Google Scholar
[23]	Gilbert M R, Sublet J C 2018 J. Nucl. Mater. 504 101 Google Scholar
[24]	Setyawan W, Nandipati G, Roche K J, Heinisch H L, Wirth B D, Kurtz R J 2015 J. Nucl. Mater. 462 329 Google Scholar
[25]	Huang C H, Gilbert M R, Marian J 2018 J. Nucl. Mater. 499 204 Google Scholar
[26]	Troev T, Nankov N, Yoshiie T 2011 Nucl. Instrum. Methods Phys. Res. B 269 566 Google Scholar
[27]	Caturla M J, Rubia T, Victoria M, Corzine R K, Greene G A 2001 J. Nucl. Mater. 296 90 Google Scholar
[28]	Vrielink M A O, Shah V, van Dommelen J A W, Geers M G D 2021 J. Nucl. Mater. 554 153068 Google Scholar
[29]	Yi X, Sand A E, Mason D R, Kirk M A, Roberts S G, Nordlund K, Dudarev S L 2015 Epl 110 36001 Google Scholar
[30]	Sand A E, Mason D R, De Backer A, Yi X, Dudarev S L, Nordlund K 2017 Mater. Res. Lett. 5 357 Google Scholar
[31]	Ghoniem N M, Sharafat S 1980 J. Nucl. Mater. 92 121 Google Scholar
[32]	Li Y G, Zhou W H, Ning R H, Huang L F, Zeng Z, Ju X 2012 Commun. Comput. Phys. 11 1547 Google Scholar
[33]	Humphreys F J, Hatherly M 2004 Recrystallization and Related Annealing Phenomena (Oxford: Elsevier) pp232–242
[34]	Fanfoni M, Tomellini M 1998 Il Nuovo Cimento D 20 1171 Google Scholar
[35]	Hallberg H 2011 Metals 1 16 Google Scholar
[36]	Yi X, Jenkins M L, Hattar K, Edmondson P D, Roberts S G 2015 Acta Mater. 92 163 Google Scholar
[37]	Yi X, Jenkins M L, Kirk M A, Zhou Z, Roberts S G 2016 Acta Mater. 112 105 Google Scholar
[38]	Yi X 2014 Ph. D. Dissertation (Oxford: University of Oxford) pp207–234
[39]	Was G S 2017 Fundamentals of Radiation Materials Science (Berlin: Springer) pp191—203
[40]	Rollett A D, Gottstein G, Shvindlerman L S, Molodov D A 2004 Zeitschrift Fur. Metallkunde 95 226 Google Scholar
[41]	Favre J, Fabregue D, Piot D, Tang N, Koizumi Y, Maire E, Chiba A 2013 Metall. Mater. Trans. A 44 5861 Google Scholar
[42]	Klimenkov M, Duerrschnabel M, Jaentsch U, Lied P, Rieth M, Schneider H C, Terentyev D, Van Renterghem W 2022 J. Nucl. Mater. 572 154018 Google Scholar
[43]	Li Y H, Zhou H B, Jin S, Zhang Y, Deng H, Lu G H 2017 Nucl. Fusion 57 046006 Google Scholar
[44]	You Y W, Kong X S, Wu X, Liu C S, Fang Q F, Chen J L, Luo G N 2017 Nucl. Fusion 57 086006 Google Scholar
[45]	Setyawan W, Selby A P, Juslin N, Stoller R E, Wirth B D, Kurtz R J 2015 J. Phys. Condens. Matter 27 225402 Google Scholar
[46]	Nes E, Ryum N, Hunderi O 1985 Acta Metall. 33 11 Google Scholar

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