Understanding the CMAS corrosion behavior of high-entropy (La0.2Sm0.2Er0.2Y0.2Yb0.2)2Ce2O7

IF 3.8 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Journal of the American Ceramic Society Pub Date : 2025-01-27 DOI:10.1111/jace.20355
Liang Xu, Hongfei Gao, Xin He, Min Niu, Zhiwei Dai, Haotian Ni, Lei Su, Hongjie Wang
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Abstract

Ceramic thermal barrier coating (TBC) materials are used to protect the superalloys from the damage of harmful high-temperature airflow and improve the efficiency of jet and gas turbine engines. However, the long-term application of TBC materials and the robustness of these materials can be destroyed by aggressive calcium-magnesium-alumina-silicate (CMAS) melt during high-temperature service. Increasing the configuration entropy of material by doping multiple principal components has become a research hotspot in the design of corrosion-resistant thermal barrier coating material and has opened an infinite space of chemical composition, structure, and material properties. In this study, high-entropy (La0.2Sm0.2Er0.2Y0.2Yb0.2)2Ce2O7 was synthesized and its CMAS corrosion behavior was investigated by experimental investigation and first-principles calculation. The effects of the increase of configurational entropy and the subsequent potential effects on the CMAS corrosion behavior of Ce-based fluorite oxides have been sufficiently investigated. By compared with control samples, the high-entropy (La0.2Sm0.2Er0.2Y0.2Yb0.2)2Ce2O7 possesses the minimum infiltration depth of CMAS melts and the denser corrosion reaction layer, indicating the best corrosion resistance. The corrosion resistance mechanism of high-entropy (La0.2Sm0.2Er0.2Y0.2Yb0.2)2Ce2O7 was studied by first-principles calculation. The greater stability and resistance to segregation of CMAS melt in the CMAS/(La0.2Sm0.2Er0.2Y0.2Yb0.2)2Ce2O7 system, the poor adsorption capacity for CMAS melt which leads to a weak infiltration ability of CMAS melt; the weakest interfacial chemical reaction at the interface indicated by the smallest value of Griffith rupture work and the least species migration of high-entropy fluorite oxide can be responsible to the enhanced corrosion resistance. Our work reveals that increasing the configuration entropy can be an effective strategy for TBC material to enhance corrosion resistance.

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高熵(La0.2Sm0.2Er0.2Y0.2Yb0.2)2Ce2O7的CMAS腐蚀行为
陶瓷热障涂层(TBC)材料用于保护超合金免受有害高温气流的破坏,并提高喷气和燃气涡轮发动机的效率。然而,TBC 材料的长期应用及其坚固性可能会在高温服役期间被侵蚀性钙镁铝硅酸盐(CMAS)熔体破坏。通过掺杂多种主成分来提高材料的构型熵已成为耐腐蚀热障涂层材料设计的研究热点,并为化学成分、结构和材料性能开辟了无限空间。本研究合成了高熵 (La0.2Sm0.2Er0.2Y0.2Yb0.2)2Ce2O7,并通过实验研究和第一性原理计算研究了其 CMAS 腐蚀行为。充分研究了构型熵的增加及其对Ce基萤石氧化物CMAS腐蚀行为的潜在影响。与对照样品相比,高熵(La0.2Sm0.2Er0.2Y0.2Yb0.2)2Ce2O7具有最小的 CMAS 熔体浸润深度和更致密的腐蚀反应层,表明其具有最佳的耐腐蚀性。通过第一性原理计算研究了高熵 (La0.2Sm0.2Er0.2Y0.2Yb0.2)2Ce2O7 的耐腐蚀机理。CMAS/(La0.2Sm0.2Er0.2Y0.2Yb0.2)2Ce2O7体系中的CMAS熔体具有更高的稳定性和抗偏析性,对CMAS熔体的吸附能力较差,导致CMAS熔体的渗透能力较弱;格里菲斯断裂功值最小,表明界面上的界面化学反应最弱,高熵萤石氧化物的物种迁移最少,这可能是耐腐蚀性增强的原因。我们的研究表明,提高构型熵是 TBC 材料增强耐腐蚀性的有效策略。
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文献相关原料
公司名称
产品信息
阿拉丁
CeO2
阿拉丁
Yb2O3
阿拉丁
Y2O3
阿拉丁
Er2O3
阿拉丁
Sm2O3
阿拉丁
La2O3
来源期刊
Journal of the American Ceramic Society
Journal of the American Ceramic Society 工程技术-材料科学:硅酸盐
CiteScore
7.50
自引率
7.70%
发文量
590
审稿时长
2.1 months
期刊介绍: The Journal of the American Ceramic Society contains records of original research that provide insight into or describe the science of ceramic and glass materials and composites based on ceramics and glasses. These papers include reports on discovery, characterization, and analysis of new inorganic, non-metallic materials; synthesis methods; phase relationships; processing approaches; microstructure-property relationships; and functionalities. Of great interest are works that support understanding founded on fundamental principles using experimental, theoretical, or computational methods or combinations of those approaches. All the published papers must be of enduring value and relevant to the science of ceramics and glasses or composites based on those materials. Papers on fundamental ceramic and glass science are welcome including those in the following areas: Enabling materials for grand challenges[...] Materials design, selection, synthesis and processing methods[...] Characterization of compositions, structures, defects, and properties along with new methods [...] Mechanisms, Theory, Modeling, and Simulation[...] JACerS accepts submissions of full-length Articles reporting original research, in-depth Feature Articles, Reviews of the state-of-the-art with compelling analysis, and Rapid Communications which are short papers with sufficient novelty or impact to justify swift publication.
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