Insights into thermos-chemical attack of CMAS+NaVO3 mixtures on YSZ materials: an experimental and computational DFT study

作者：Huanjie Fang, Wenqian Wang, Jianhao Yu, Yongxin Wang, Xiaodong He, Chongqing Di, Jibin Pu, Kazuhito Nishimura, Weize Wang · 发表于：npj Materials Degradation · 年份：2025 · DOI：10.1038/s41529-025-00599-2 · 被引用次数：7 · 研究领域：Nuclear Materials and Properties、High-Temperature Coating Behaviors、Nuclear materials and radiation effects

Accompanied with working condition of advanced aero-engine becoming harsh, the state-of-art 6–8 wt.% Y 2 O 3 -stabilized-zirconia (YSZ) thermal barrier coatings (TBCs) degradation aroused by environmental deposits (CMAS and molten salt) has attracted growing concerning. In this context, attack behavior of CMAS+NaVO 3 mixtures (CN) on YSZ TBCs was studied by experimental investigation and computational simulation to gain insights into the mechanism behind thermos-chemical degradation. Results from conventional TBCs/the melt interaction test showed that the molten CN exhibited superior permeability than CMAS counterpart, with infiltration depth exceeding 350 μm within 0.5 h. Additionally, accelerated precipitation of Y-rich c-ZrO 2 grains was exclusively noted in CN-corroded specimen, potentially attributable to the decrease in Y-solubility. Microstructural evolution of YSZ particles in ceramic particles/the melt interaction test indicated an enhanced thermos-chemical corrosiveness of CN, and this phenomenon was further elucidated through a corresponding DFT simulation, which implicated that promoted transport behavior may be the underlying cause.