Comparison of formation and evolution of radiation-induced defects in pure Ni and Ni-Co-Fe medium-entropy alloy
Lin Lang(稂林)1, Huiqiu Deng(邓辉球)2,†, Jiayou Tao(陶家友)1, Tengfei Yang(杨腾飞)3, Yeping Lin(林也平)3, and Wangyu Hu(胡望宇)3
1 Key Laboratory of Hunan Province on Information Photonics and Freespace Optical Communications, School of Physics and Electrical Sciences, Hunan Institute of Science and Technology, Yueyang 414006, China; 2 School of Physics and Electronics, Hunan University, Changsha 410082, China; 3 College of Materials Science and Engineering, Hunan University, Changsha 410082, China
Abstract High-entropy alloys (HEAs) and medium-entropy alloys (MEAs) have attracted a great deal of attention for developing nuclear materials because of their excellent irradiation tolerance. Herein, formation and evolution of radiation-induced defects in NiCoFe MEA and pure Ni are investigated and compared using molecular dynamics simulation. It is observed that the defect recombination rate of ternary NiCoFe MEA is higher than that of pure Ni, which is mainly because, in the process of cascade collision, the energy dissipated through atom displacement decreases with increasing the chemical disorder. Consequently, the heat peak phase lasts longer, and the recombination time of the radiation defects (interstitial atoms and vacancies) is likewise longer, with fewer deleterious defects. Moreover, by studying the formation and evolution of dislocation loops in Ni-Co-Fe alloys and Ni, it is found that the stacking fault energy in Ni-Co-Fe decreases as the elemental composition increases, facilitating the formation of ideal stacking fault tetrahedron structures. Hence, these findings shed new light on studying the formation and evolution of radiation-induced defects in MEAs.
Received: 14 June 2022
Revised: 08 August 2022
Accepted manuscript online: 12 August 2022
PACS:
61.72.-y
(Defects and impurities in crystals; microstructure)
(Molecular dynamics calculations (Car-Parrinello) and other numerical simulations)
Fund: This work was financially supported by the National Natural Science Foundation of China (Grant No. 11775074) and the Science and Technology Program of Hunan Province, China (Grant No. 2019TP1014). The authors also thank the National Supercomputer Center in Changsha for the computational resource provided.
Corresponding Authors:
Huiqiu Deng
E-mail: hqdeng@hnu.edu.cn
Cite this article:
Lin Lang(稂林), Huiqiu Deng(邓辉球), Jiayou Tao(陶家友), Tengfei Yang(杨腾飞), Yeping Lin(林也平), and Wangyu Hu(胡望宇) Comparison of formation and evolution of radiation-induced defects in pure Ni and Ni-Co-Fe medium-entropy alloy 2022 Chin. Phys. B 31 126102
[1] Davis J R 1990 ASM Speciality Handbook: Nickel, Cobalt, and Their Alloys, 2nd edn. (New York: ASM International) [2] Granberg F, Nordlund K, Ullah M W, Jin K, Lu C, Bei H, Wang L M, Djurabekova F, Weber W J and Zhang Y 2016 Phys. Rev. Lett.116 135504 [3] Lu C, Niu L, Chen N, Jin K, Yang T, Xiu P, Zhang Y, Gao F, Bei H, Shi S, He M R, Robertson I M, Weber W J and Wang L 2016 Nat. Commun.7 13564 [4] Cantor B, Chang I T H, Knight P and Vincent A J B 2004 Mater. Sci. Eng. A375 213 [5] Otto F, Yang Y, Bei H and George E P 2013 Acta Mater.61 2628 [6] Senkov O N, Miller J D, Miracle D B and Woodward C 2015 Nat. Commun.6 6529 [7] Jin K and Bei H 2018 Front. Mater.5 26 [8] Gludovatz B, Hohenwarter A, Catoor D, Chang E H, George E P and Ritchie R O 2014 Science345 1153 [9] Miracle D B and Senkov O N 2017 Acta Mater.122 448 [10] Yeh J W, Chen S K, Lin S J, Gan J Y, Chin T S, Shun T T, Tsau C H and Chang S Y 2004 Adv. Eng. Mater.6 299 [11] Zhang Y, Yang X and Liaw P K 2012 JOM64 830 [12] Senkov O N, Scott J M, Senkova S V, Miracle D B and Woodward C F 2011 J. Alloys Compd.509 6043 [13] Antonaglia J, Xie X, Tang Z, Tsai C W, Qiao J W, Zhang Y, Laktionova M O, Tabachnikova E D, Yeh J W, Senkov O N, Gao M C, Uhl J T, Liaw P K and Dahmen K A 2014 JOM66 2002 [14] Chuang M H, Tsai M H, Wang W R, Lin S J and Yeh J W 2011 Acta Mater.59 6308 [15] Tang Z, Huang L, He W and Liaw P 2014 Entropy16 895 [16] Lee C P, Chen Y Y, Hsu C Y, Yeh J W and Shih H C 2008 Thin Solid Films517 1301 [17] Santodonato L J, Zhang Y, Feygenson M, Parish C M, Gao M C, Weber R J, Neuefeind J C, Tang Z and Liaw P K 2015 Nat. Commun.6 5964 [18] Li Z, Pradeep K G, Deng Y, Raabe D and Tasan C C 2016 Nature534 227 [19] Zhang Y, Stocks G M, Jin K, Lu C, Bei H, Sales B C, Wang L, Beland L K, Stoller R E, Samolyuk G D, Caro M, Caro A and Weber W J 2015 Nat. Commun.6 8736 [20] Lu C, Jin K, Beland L K, Zhang F, Yang T, Qiao L, Zhang Y, Bei H, Christen H M, Stoller R E and Wang L 2016 Sci. Rep.6 19994 [21] Jin K, Lu C, Wang L M, Qu J, Weber W J, Zhang Y and Bei H 2016 Scr. Mater.119 65 [22] Kumar N A P K, Li C, Leonard K J, Bei H and Zinkle S J 2016 Acta Mater.113 230 [23] Lu C, Yang T N, Jin K, Velisa G, Xiu P, Peng Q, Gao F, Zhang Y, Bei H, Weber W J and Wang L 2019 J. Nucl. Mater.524 60 [24] Lu C, Yang T, Jin K, Velisa G, Xiu P, Song M, Peng Q, Gao F, Zhang Y, Bei H, Weber W J and Wang L 2018 Mater. Res. Lett.6 584 [25] Lu C, Yang T, Jin K, Gao N, Xiu P, Zhang Y, Gao F, Bei H, Weber W J, Sun K, Dong Y and Wang L 2017 Acta Mater.127 98 [26] Aidhy D S, Lu C, Jin K, Bei H, Zhang Y, Wang L and Weber W J 2015 Acta Mater.99 69 [27] Jin K, Bei H and Zhang Y 2016 J. Nucl. Mater.471 193 [28] Shan C, Lang L, Yang T, Lin Y, Gao F, Deng H and Hu W 2020 Comput. Mater. Sci.177 109555 [29] Ardell A J and Bellon P 2016 Curr. Opin. Solid State Mater. Sci.20 115 [30] Plimpton S 1995 J. Comput. Phys.117 1 [31] Lee B J and Baskes M I 2000 Phys. Rev. B62 8564 [32] Choi W M, Jo Y H, Sohn S S, Lee S and Lee B J 2018 npj Comput. Mater.4 1 [33] Do H S and Lee B J 2018 Sci. Rep.8 16015 [34] Fang Q, Chen Y, Li J, Jiang C, Liu B, Liu Y and Liaw P K 2019 Int. J. Plast.114 161 [35] Biersack J P and Ziegler J F 1982 Nucl. Instrum. Methods Phys. Res.194 93 [36] Liu X, Pei Z and Eisenbach M 2019 Mater. Des.180 107955 [37] Stukowski A, Bulatov V V and Arsenlis A 2012 Modell. Simul. Mater. Sci. Eng.20 085007 [38] Stukowski A 2010 Modell. Simul. Mater. Sci. Eng.18 015012 [39] Sigle W and Seeger A 1994 Phys. Status Solidi A146 57 [40] Urban K and Yoshida N 2006 Philos. Mag. A44 1193 [41] Tsai K Y, Tsai M H and Yeh J W 2013 Acta Mater.61 4887 [42] Zhang R, Zhao S, Ding J, Chong Y, Jia T, Ophus C, Asta M, Ritchie R O and Minor A M 2020 Nature581 283 [43] Lang L, Deng H Q, Tian Z, Gao F, Hu W Y, Wen D D and Mo Y F 2019 J. Alloys Compd.775 1184 [44] Lu C, Yang T, Niu L, Peng Q, Jin K, Crespillo M L, Velisa G, Xue H, Zhang F, Xiu P, Zhang Y, Gao F, Bei H, Weber W J and Wang L 2018 J. Nucl. Mater.509 237 [45] Arakawa K, Ono K, Isshiki M, Mimura K, Uchikoshi M and Mori H 2007 Science318 956 [46] Matsukawa Y and Zinkle S J 2007 Science318 959 [47] Foreman A J E, Phythian W J and English C A 1992 Philos. Mag. A66 671 [48] Zhao P and Shimomura Y 1999 Comput. Mater. Sci.14 84 [49] Levo E, Granberg F, Fridlund C, Nordlund K and Djurabekova F 2017 J. Nucl. Mater.490 323 [50] Yi X, Jenkins M L, Kirk M A, Zhou Z and Roberts S G 2016 Acta Mater.112 105 [51] Zhang J Y and Zhang W Z 2019 Modell. Simul. Mater. Sci. Eng.27 035008 [52] Gao F and Bacon D J 1997 Philos. Mag. A75 1603 [53] Nordlund K and Gao F 1999 Appl. Phys. Lett.74 2720 [54] Diaz de la Rubia T and Guinan M W 1991 Phys. Rev. Lett.66 2766 [55] Béland L K, Lu C, Osetskiy Y N, Samolyuk G D, Caro A, Wang L and Stoller R E 2016 J. Appl. Phys.119 085901 [56] Carter C B and Holmes S M 2006 Philos. Mag.35 1161 [57] Siegel D J 2005 Appl. Phys. Lett.87 121901 [58] Zaddach A J, Niu C, Koch C C and Irving D L 2013 JOM65 1780 [59] Zhao S, Stocks G M and Zhang Y 2017 Acta Mater.134 334 [60] Liu S F, Wu Y, Wang H T, He J Y, Liu J B, Chen C X, Liu X J, Wang H and Lu Z P 2018 Intermetallics93 269
Altmetric calculates a score based on the online attention an article receives. Each coloured thread in the circle represents a different type of online attention. The number in the centre is the Altmetric score. Social media and mainstream news media are the main sources that calculate the score. Reference managers such as Mendeley are also tracked but do not contribute to the score. Older articles often score higher because they have had more time to get noticed. To account for this, Altmetric has included the context data for other articles of a similar age.
