Roles of Y_(2)Zr_(2)O_(7) Nano‑Oxides in Helium Management in ODS Ferritic Alloys:A First‑Principles Study  

作　　者：Huajian Wu Jieli Ma Yong Jiang Yiren Wang Fuhua Cao 

机构地区：[1]Key Laboratory for Nonferrous Materials(MOE),School of Materials Science and Engineering,Central South University,Changsha 410083,China [2]State Key Laboratory of Powder Metallurgy,Central South University,Changsha 410083,China

出　　处：《Acta Metallurgica Sinica(English Letters)》2025年第3期497-506,共10页金属学报(英文版)

基　　金：the fnancial support from the National MCF Energy R&D Program of China(No.2018YFE0306101);the Science and Technology Laboratory on Reactor Fuel and Materials of China.

摘　　要：Y-Zr-O nano-oxide dispersion-strengthened(ODS)ferritic alloys have attracted increasing research eforts in recent years,for the enhanced nucleation and refnement of nano-oxides.Here,we report a frst-principles exploration on the possible roles of Y_(2)Zr_(2)O_(7) in helium management in Y+Zr and Y+Ti+Zr co-alloyed ODS ferritic alloys.Bulk phase calculations suggested that similarly as Y_(2)Ti_(2)O_(7),Y_(2)Zr_(2)O_(7) has a comparably strong capability for trapping helium at its interstitial sites.The equilibrium Fe/Y_(2)Zr_(2)O_(7) interface structure was further predicted as the top-coordinated O-rich at the temperature range of interest.Vacancy and helium both segregate to the Y_(2)Zr_(2)O_(7) interface,in preference to the Y_(2)Ti_(2)O_(7) interface,the bulk interior of Y_(2)Zr_(2)O_(7) and the grain boundaries.In this regard,Y_(2)Zr_(2)O_(7) can be more efective than Y_(2)Ti_(2)O_(7) in preventing vacancies and helium from reaching GBs.Based on these results,the profound implications for the helium tolerance of Zralloyed ODS ferritic alloys were discussed.

关 键 词：Nano-oxide dispersion-strengthened ferritic alloys Y_(2)Zr_(2)O_(7) Y_(2)Ti_(2)O_(7) Interface HELIUM First-principles 

分 类 号：TG1[金属学及工艺—金属学]