Different mechanisms of A-site and B-site high entropy effect on radiation tolerance of pyrochlores

doi:10.1016/j.jmst.2024.02.002

IMR OpenIR

	Different mechanisms of A-site and B-site high entropy effect on radiation tolerance of pyrochlores
	Li, Yuxin 1; Lei, Yiming 2; Xiao, Hao 1; Zhao, Shuang 1; Wang, Yugang 1; Cao, Zini 3,4; Zhang, Jie 2; Wang, Jingyang 2; Lu, Guowei 3,4; Cao, Liuxuan 5; Wang, Chenxu 1
通讯作者	Wang, Chenxu(cxwang@pku.edu.cn)
	2024-08-20
发表期刊	JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
ISSN	1005-0302
卷号	191 页码:250-258
摘要	The properties of high entropy pyrochlore have been studied extensively, but there is no consistent conclusion on its radiation tolerance. Besides, the mechanism of the high entropy effect on the radiation tolerance of pyrochlore is still unclear. In this work, combined with experiments and calculations of pyrochlores with similar cationic radius ratios, the A -site and B -site high entropy effects on structural evolution under irradiation are analyzed. In situ irradiation experiments were carried out on A -site high entropy pyrochlores such as (La0.2Nd0.2Sm0.2Gd0.2Er0.2)2Zr2O7, B -site Gd2(Ti1/3Sn1/3Zr1/3)2O7, and ternary pyrochlore Sm2Zr2O7 and Gd2Sn2O7 for comparison. The A -site high entropy pyrochlore can maintain a stable structure under high fluence irradiation like corresponding ternary pyrochlore, demonstrated by high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), energy dispersive spectroscopy (EDS) mapping and Raman spectrum. The additional irradiation experiments on A -site high entropy pyrochlores (La1/3Nd1/3Gd1/3)2Zr2O7 and (Nd1/3Sm1/3Gd1/3)2Zr2O7 also confirm the similarity under irradiation between A -site high entropy and ternary pyrochlores. However, the B -site high entropy pyrochlore Gd2(Ti1/3Sn1/3Zr1/3)2O7 becomes amorphous at exceptionally low irradiation fluences, indicating a significantly distinct radiation tolerance compared with the A -site high entropy. The difference between the A -site and B -site high entropy effect is analyzed from cationic lattice distortion, bond strength, and inner electron binding energy by first -principles calculations. The results reveal the role and mechanism of the high entropy effect in pyrochlores and lay a foundation for material design and future applications. (c) 2024 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.
关键词	High entropy pyrochlores In situ irradiation Crystal overlap Hamilton population Electron binding energy
资助者	National Natural Science Foundation of China ; National Magnetic Confinement Fusion Energy Research Project
DOI	10.1016/j.jmst.2024.02.002
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[12275009] ; National Natural Science Foundation of China[12192280] ; National Natural Science Foundation of China[11935004] ; National Magnetic Confinement Fusion Energy Research Project[2021YFE031100]
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:001198869600001
出版者	JOURNAL MATER SCI TECHNOL
引用统计	被引频次：2[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/185414
专题	中国科学院金属研究所
通讯作者	Wang, Chenxu
作者单位	1.Peking Univ, Ctr Appl Phys & Technol, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 3.Peking Univ, Frontiers Sci Ctr Nanooptoelectron, State Key Lab Mesoscop Phys, Beijing 100871, Peoples R China 4.Peking Univ, Collaborat Innovat Ctr Quantum Matter, Sch Phys, Beijing 100871, Peoples R China 5.Xiamen Univ, Coll Energy, Xiamen 361102, Peoples R China
推荐引用方式 GB/T 7714	Li, Yuxin,Lei, Yiming,Xiao, Hao,et al. Different mechanisms of A-site and B-site high entropy effect on radiation tolerance of pyrochlores[J]. JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,2024,191:250-258.
APA	Li, Yuxin.,Lei, Yiming.,Xiao, Hao.,Zhao, Shuang.,Wang, Yugang.,...&Wang, Chenxu.(2024).Different mechanisms of A-site and B-site high entropy effect on radiation tolerance of pyrochlores.JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,191,250-258.
MLA	Li, Yuxin,et al."Different mechanisms of A-site and B-site high entropy effect on radiation tolerance of pyrochlores".JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY 191(2024):250-258.