One-step multi-compositional oxidation of YSi alloy: Experiments and ab initio computation

doi:10.1016/j.jmst.2023.02.042

J. Mater. Sci. Technol. ›› 2023, Vol. 158: 253-262.DOI: 10.1016/j.jmst.2023.02.042

• Research article • Previous Articles

One-step multi-compositional oxidation of YSi alloy: Experiments and ab initio computation

W.J. Wang^a,1, J.C. Luo^a,1, L. Chen^a,b, G.J. Yang^a,*

^aState Key Laboratory for Mechanical Behavior of Materials, School of Materials Science and Engineering, Xi'an Jiaotong University, Xi'an 710049, China;
^bXi'an Jiaotong University Suzhou Institute, Suzhou 215123, China

Received:2022-10-25 Revised:2023-02-09 Accepted:2023-02-28 Published:2023-09-20 Online:2023-09-15
Contact: ^*E-mail address:ygj@mail.xjtu.edu.cn (G.J. Yang)
About author:¹These authors equally contributed to this work.

Abstract

Abstract: YSi alloy is a promising candidate as oxidation resistant coatings for both the bond coat of environmental barrier coatings (EBCs) and anti-ablation coatings at a high temperature of ∼1300 °C. In this study, a one-step multi-compositional oxidation by rapid heating oxidation mode is proposed to reduce the oxidation rate by 3.6 times compared to conventional slow heating oxidation mode. Results show that preferentially formed Y₂O₃ oxide initiates a multi-step oxidation, produces a cracking and porous oxides, and thereby resulting in a fast oxidation with pesting. The one-step multi-compositional oxidation with a compact and dense Y₂Si₂O₇ scale contributes to the much better oxidation resistance for rapid heating oxidation mode of YSi alloy. The stable formation of Y₂Si₂O₇ scale is comprehensively understood by the energy barrier, charge density and electronic level based on density functional theory. This study demonstrates a promising application of YSi alloy by rapid heating oxidation mode.

Key words: YSi alloy, One-step oxidation, Multi-compositional scalel, Y₂Si₂O₇, Energy barrier

W.J. Wang, J.C. Luo, L. Chen, G.J. Yang. One-step multi-compositional oxidation of YSi alloy: Experiments and ab initio computation[J]. J. Mater. Sci. Technol., 2023, 158: 253-262.

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One-step multi-compositional oxidation of YSi alloy: Experiments and ab initio computation

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