Inverse design of high-entropy rare-earth monosilicates with superior CMAS corrosion resistance

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics Pub Date : 2025-08-14 DOI:10.1016/j.jmat.2025.101123

Hao Bai, Peng Wei, Lei Zhuang, Hui Wang, Hulei Yu, Yanhui Chu

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Abstract

The exploitation of high-entropy rare-earth monosilicates (HEREMSs) with enhanced calcium-magnesium-aluminum-silicate (CMAS) corrosion resistance is vital for their potential applications as environmental barrier coatings (EBCs). Here, we present an inverse design strategy to explore HEREMSs with superior CMAS corrosion resistance. By high-throughput synthesis and dissolution experiments of equimolar 1–12-cation apatite powders at 1400 °C, four optimized rare-earth elements, Lu, Yb, Er, and Nd, are determined to compositionally screen preferable high-entropy apatite with the lowest dissolution rate in CMAS melt, ultimately facilitating the inversely design of novel (Nd_2/15Er_3/5Yb_2/15Lu_2/15)₂SiO₅ (HEREMS-1). Further CMAS corrosion experiments have verified its superior CMAS corrosion resistance at temperatures up to 1500 °C, exceeding the performance of previously reported EBC materials. Our work paves an alternative way for developing HEREMSs with exceptional CMAS corrosion resistance, making them highly suitable for future EBC applications.

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具有优异CMAS耐蚀性的高熵稀土单硅酸盐的反设计

开发具有增强钙镁铝硅酸盐（CMAS）耐腐蚀性的高熵稀土单硅酸盐（HEREMSs）对于其作为环境屏障涂层（EBCs）的潜在应用至关重要。在这里，我们提出了一种逆向设计策略，以探索具有优异CMAS耐腐蚀性的herems。通过对等摩尔1 - 12阳离子磷灰石粉体在1400℃下的高通量合成和溶解实验，确定了4种稀土元素Lu、Yb、Er和Nd，优选出在CMAS熔体中溶解速率最低的高熵磷灰石，最终实现了新型（Nd2/15Er3/5Yb2/15Lu2/15）2SiO5 （herem -1）的反设计。进一步的CMAS腐蚀实验验证了其在高达1500°C的温度下具有优越的CMAS耐腐蚀性，超过了先前报道的EBC材料的性能。我们的工作为开发具有卓越CMAS耐腐蚀性的herems铺平了另一种方式，使其非常适合未来的EBC应用。

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来源期刊

Journal of Materiomics Materials Science-Metals and Alloys

CiteScore

14.30

自引率

6.40%

发文量

331

审稿时长

37 days

期刊介绍： The Journal of Materiomics is a peer-reviewed open-access journal that aims to serve as a forum for the continuous dissemination of research within the field of materials science. It particularly emphasizes systematic studies on the relationships between composition, processing, structure, property, and performance of advanced materials. The journal is supported by the Chinese Ceramic Society and is indexed in SCIE and Scopus. It is commonly referred to as J Materiomics.