Atomic migration behavior of Ta4HfC5-SiBCN ceramics sintered by hot-pressing

IF 5.8 2区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Journal of The European Ceramic Society Pub Date : 2025-05-06 DOI:10.1016/j.jeurceramsoc.2025.117510

Jingyi Guan , Daxin Li , Bo Wang , Zhihua Yang , Ning Cao , Ling Li , Yingying Wang , Dechang Jia , Yu Zhou

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Abstract

Ultra-high temperature ceramics matrix composites have great potential for application in the aerospace. However, the effects of atomic diffusion behavior on the properties are not clear. This work focuses on the diffusion behavior of Ta₄HfC₅-SiBCN multilayer gradient ceramics with meshing structure sintered by hot-pressing sintering. The order of atomic interdiffusion coefficients is Hf> Ta> Si, corresponding to (17.03 ± 8.15), (14.38 ± 5.67) and (10.71 ± 2.88) × 10⁻¹⁸ m²/s, respectively. Moreover, the atomic migration behavior between Ta₄HfC₅ and SiBCN was studied based on first principles. The results show that the vacancy migration energy of Ta atoms in SiC is 0.92 eV, which is greater than that of Hf atoms with 0.18 eV. In addition, Hf atoms promotes vacancy diffusion of Si atoms in the TaC lattice. This work provides data support for the exploration of basic research and diffusion mechanisms.

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热压烧结Ta4HfC5-SiBCN陶瓷的原子迁移行为

超高温陶瓷基复合材料在航空航天领域具有广阔的应用前景。然而，原子扩散行为对性能的影响尚不清楚。研究了热压烧结法制备的具有网状结构的Ta4HfC5-SiBCN多层梯度陶瓷的扩散行为。的原子相互扩散系数是Hf> Ta> Si,对应于(17.03 ± 8.15),(14.38 ± 5.67)和(10.71 ±2.88 )× 10−18平方米/ s,分别。此外，基于第一性原理研究了Ta4HfC5和SiBCN之间的原子迁移行为。结果表明：在SiC中，Ta原子的空位迁移能为0.92 eV，大于Hf原子的空位迁移能0.18 eV；此外，Hf原子促进了Si原子在TaC晶格中的空位扩散。这项工作为探索基础研究和扩散机制提供了数据支持。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of The European Ceramic Society 工程技术-材料科学：硅酸盐

CiteScore

10.70

自引率

12.30%

发文量

863

审稿时长

35 days

期刊介绍： The Journal of the European Ceramic Society publishes the results of original research and reviews relating to ceramic materials. Papers of either an experimental or theoretical character will be welcomed on a fully international basis. The emphasis is on novel generic science concerning the relationships between processing, microstructure and properties of polycrystalline ceramics consolidated at high temperature. Papers may relate to any of the conventional categories of ceramic: structural, functional, traditional or composite. The central objective is to sustain a high standard of research quality by means of appropriate reviewing procedures.