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The irradiation resistance and mechanical properties of the high-entropy zirconate pyrochlore (La0.2Nd0.2Sm0.2Eu0.2Gd0.2)2Zr2O7

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS(2024)

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Abstract
A2B2O7 (A = Y, La -Lu, B = Sn, Ti, Zr, Hf, etc.) pyrochlore oxide ceramics, with their flexible structure and complex chemical composition, are naturally stable and serve as an effective carrier matrix for immobilizing various nuclides found in high-level nuclear waste (HLW). However, there are many kinds of nuclides in HLW, which need to be immobilized simultaneously. Using A2B2O7 pyrochlore to immobilize multiple nuclides is equivalent to the presence of multiple cations in the sublattices of A or B sites of A2B2O7 pyrochlores called highentropy pyrochlore ceramics. In this work, the high-entropy zirconate pyrochlore (La0.2Nd0.2- Sm0.2Eu0.2Gd0.2)2Zr2O7 was successfully prepared, demonstrating superior radiation resistance. This characteristic was further confirmed through molecular dynamics simulations, which also revealed its good mechanical properties. When compared to other pyrochlore A2B2O7 compounds, this high-entropy pyrochlore (La0.2Nd0.2- Sm0.2Eu0.2Gd0.2)2Zr2O7 shows enhanced radiation resistance, making it an excellent potential material for nuclear waste immobilization matrix.
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Key words
High-entropy zirconate pyrochlore,Molecular dynamics simulation,Nuclear waste immobilization matrix
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