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

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

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The properties of high entropy pyrochlore have been studied extensively,but there is no consistent con-clusion 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 disper-sive 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)2Zr2C7 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,indicat-ing a significantly distinct radiation tolerance compared with the A-site high entropy.The difference be-tween 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 mecha-nism of the high entropy effect in pyrochlores and lay a foundation for material design and future appli-cations.

High entropy pyrochloresIn situ irradiationCrystal overlap Hamilton populationElectron binding energy

Yuxin Li、Yiming Lei、Hao Xiao、Shuang Zhao、Yugang Wang、Zini Cao、Jie Zhang、Jingyang Wang、Guowei Lu、Liuxuan Cao、Chenxu Wang

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State Key Laboratory of Nuclear Physics and Technology,Center for Applied Physics and Technology,Peking University,Beijing 100871,China

Shenyang National Laboratory for Materials Science,Institute of Metal Research,Chinese Academy of Sciences,Shenyang 110016,China

State Key Laboratory for Mesoscopic Physics,Frontiers Science Center for Nano-Optoelectronics & Collaborative Innovation Center of Quantum Matter,School of Physics,Peking University,Beijing 100871,China

College of Energy,Xiamen University,Xiamen,361102,China

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National Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNational Magnetic Confinement Fusion Energy Research Project

1227500912192280119350042021YFE031100

2024

10.1016/j.jmst.2024.02.002

材料科学技术(英文版)
中国金属学会 中国材料研究学会 中国科学院金属研究所

材料科学技术(英文版)

CSTPCD
影响因子：0.657
ISSN：1005-0302
年,卷(期)：2024.191(24)