Phase-Field Modeling of Thermally-Grown Oxide and Damage Evolution in Environmental Barrier Coatings

IF 8.3 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Acta Materialia Pub Date : 2024-11-15 DOI:10.1016/j.actamat.2024.120571
Tian-Le Cheng, Fei Xue, Yinkai Lei, Richard P. Oleksak, Ömer N. Doğan, You-Hai Wen
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Abstract

Silicon carbide-based ceramic matrix composites protected by environmental barrier coatings (EBCs) present a promising materials solution for next-generation gas turbines. Developming more robust and efficient EBCs is therefore of significant technological importance. During the service in high-temperature oxidative environments, there is a thermally grown oxide (TGO) layer, spontaneously formed in the EBC system. TGO is recognized as a critical factor for the degradation and failure of EBCs, yet the detailed mechanisms of TGO growth and its effect on EBC failure remain unclear. In this study we develop a comprehensive chemo-mechano-phase-field model to simulate growth of the TGO in EBCs, factoring in creep and deformation, and especially the cracking behaviors. The volume expansion due to TGO growth and the resulting large inelastic deformation are addressed by using our recently developed, so-called incremental realization of inelastic deformation (IRID) algorithm, in combination with an adapted Hu-Chen spectral solver for elasticity. Simulations of TGO growth are performed considering different growth modes of TGOs determined mainly by the ratio of oxidant permeability in the topcoat to that in the TGO itself. Large-scale three-dimensional (3D) simulations are performed to model the formation of interconnecting vertical/channel cracks (often called ‘mud cracks’). The simulated crack morphology are in excellent agreement with the experimental observations from the literature. The simulations also provide insights into the cracking of EBCs and its dependence on the structure and constituent properties of the coating system. These results demonstrate the developed damage model can be a useful tool for design of more durable EBCs.

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环境阻隔涂层中热生长氧化物和损伤演变的相场建模
碳化硅基陶瓷基复合材料在环境屏障涂层(EBC)的保护下,为下一代燃气轮机提供了一种前景广阔的材料解决方案。因此,开发更坚固、更高效的 EBC 具有重要的技术意义。在高温氧化环境中服役期间,EBC 系统中会自发形成热生长氧化物(TGO)层。TGO 被认为是导致 EBC 退化和失效的关键因素,但 TGO 生长的详细机制及其对 EBC 失效的影响仍不清楚。在本研究中,我们建立了一个全面的化学-机械-相场模型来模拟 EBC 中 TGO 的生长,并将蠕变和变形,特别是开裂行为考虑在内。我们采用最近开发的所谓 "非弹性变形增量实现(IRID)"算法,并结合经过调整的胡琴弹性谱求解器,解决了 TGO 生长引起的体积膨胀以及由此产生的巨大非弹性变形问题。对 TGO 的生长进行了模拟,考虑了 TGO 的不同生长模式,这些模式主要取决于面层中的氧化剂渗透性与 TGO 本身的氧化剂渗透性之比。大规模三维(3D)模拟用于模拟相互连接的垂直/通道裂缝(通常称为 "泥浆裂缝")的形成。模拟的裂纹形态与文献中的实验观察结果非常吻合。模拟结果还有助于深入了解 EBC 的开裂及其与涂层系统结构和组成特性的关系。这些结果表明,所开发的损伤模型是设计更耐用的 EBC 的有用工具。
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来源期刊
Acta Materialia
Acta Materialia 工程技术-材料科学:综合
CiteScore
16.10
自引率
8.50%
发文量
801
审稿时长
53 days
期刊介绍: Acta Materialia serves as a platform for publishing full-length, original papers and commissioned overviews that contribute to a profound understanding of the correlation between the processing, structure, and properties of inorganic materials. The journal seeks papers with high impact potential or those that significantly propel the field forward. The scope includes the atomic and molecular arrangements, chemical and electronic structures, and microstructure of materials, focusing on their mechanical or functional behavior across all length scales, including nanostructures.
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