Oxidation behavior of supersonic air plasma sprayed Yb2SiO5/Si and Yb2Si2O7/Si coating for CVD-SiC coated C/C composites in wet oxygen at 1773 K: Experimental and first-principle calculation

IF 5.1 2区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Ceramics International Pub Date : 2025-04-01 DOI:10.1016/j.ceramint.2024.12.527

Wenhan Gai , Yulei Zhang , Jian Zhang , Hui Chen , Guohui Chen , Jing'an Kong

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引用次数: 0

Abstract

The protective effect of Yb₂SiO₅/Si and Yb₂Si₂O₇/Si coatings on CVD-SiC coated C/C composites in high temperature wet oxygen environments was investigated by first-principle calculation and experiment, respectively. The calculation results reveal that the Yttrium silicate (Yb₂SiO₅, YbMS) phase exhibits stronger bonding energy compared to the yttrium disilicate (Yb₂Si₂O₇, YbDS) phase. Moreover, the Si-O bond within the YbMS structure is more stable under similar water vapor corrosion conditions. Consequently, the YbMS structure contributes to the formation of a thinner thermally grown oxide (TGO) and diffusion reaction layer (DRL) at the interface between the Si bond coat and YbMS topcoat under wet oxygen conditions at 1773 K. However, the higher coefficient of thermal expansion (CTE) of the YbMS coating resulted in the formation of larger penetration cracks in YbMS-coated C/C samples during cooling. After 20 h of oxidation in a water vapor environment at 1773 K, the weight change of the YbMS-coated sample was −4.374 %, while the YbDS coated sample was −0.610 %.

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超声空气等离子喷涂Yb2SiO5/Si和Yb2Si2O7/Si涂层CVD-SiC涂层C/C复合材料在1773 K湿氧中的氧化行为：实验和第一性原理计算

通过第一性原理计算和实验研究了Yb2SiO5/Si和Yb2Si2O7/Si涂层在高温湿氧环境下对CVD-SiC涂层C/C复合材料的保护作用。计算结果表明，硅酸钇（Yb2SiO5, YbMS）相比二酸钇（Yb2Si2O7, YbDS）相具有更强的键能。此外，在相似的水蒸气腐蚀条件下，YbMS结构内的Si-O键更加稳定。因此，在1773 K的湿氧条件下，YbMS结构有助于在Si键合层和YbMS面涂层之间的界面上形成更薄的热生长氧化物（TGO）和扩散反应层（DRL）。然而，YbMS涂层较高的热膨胀系数（CTE）导致涂层C/C样品在冷却过程中形成较大的穿透裂纹。在1773 K的水蒸气环境中氧化20 h后，ybms包覆样品的重量变化为- 4.374%，而YbDS包覆样品的重量变化为- 0.610%。

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来源期刊

Ceramics International 工程技术-材料科学：硅酸盐

CiteScore

9.40

自引率

15.40%

发文量

4558

审稿时长

25 days

期刊介绍： Ceramics International covers the science of advanced ceramic materials. The journal encourages contributions that demonstrate how an understanding of the basic chemical and physical phenomena may direct materials design and stimulate ideas for new or improved processing techniques, in order to obtain materials with desired structural features and properties. Ceramics International covers oxide and non-oxide ceramics, functional glasses, glass ceramics, amorphous inorganic non-metallic materials (and their combinations with metal and organic materials), in the form of particulates, dense or porous bodies, thin/thick films and laminated, graded and composite structures. Process related topics such as ceramic-ceramic joints or joining ceramics with dissimilar materials, as well as surface finishing and conditioning are also covered. Besides traditional processing techniques, manufacturing routes of interest include innovative procedures benefiting from externally applied stresses, electromagnetic fields and energetic beams, as well as top-down and self-assembly nanotechnology approaches. In addition, the journal welcomes submissions on bio-inspired and bio-enabled materials designs, experimentally validated multi scale modelling and simulation for materials design, and the use of the most advanced chemical and physical characterization techniques of structure, properties and behaviour. Technologically relevant low-dimensional systems are a particular focus of Ceramics International. These include 0, 1 and 2-D nanomaterials (also covering CNTs, graphene and related materials, and diamond-like carbons), their nanocomposites, as well as nano-hybrids and hierarchical multifunctional nanostructures that might integrate molecular, biological and electronic components.