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Chong et al. J Mater Inf 2023;3:21 Journal of
DOI: 10.20517/jmi.2023.17
Materials Informatics

Research Article Open Access

Understanding oxidation resistance of Pt-based
alloys through computations of Ellingham diagrams

with experimental verifications

1
2,*
1
1
3
1
4
3
Xiaoyu Chong , Wei Yu , Yingxue Liang , Shun-Li Shang , Chao Li , Aimin Zhang , Yan Wei , Xingyu Gao ,
2
4
1,*
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Yi Wang , Jing Feng , Li Chen , Haifeng Song , Zi-Kui Liu 2
1
Faculty of Materials Science and Engineering, Kunming University of Science and Technology, Kunming 650093, Yunnan, China.
2
Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA 16802, USA.
3
Yunnan Precious Metal Laboratory Co. LTD, Kunming 650106, Yunnan, China.
4
Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China.
* Correspondence to: Prof. Shun-Li Shang, Department of Materials Science and Engineering, The Pennsylvania State University,
324 Steidle Building, University Park, PA 16802, USA. E-mail: sus26@psu.edu.cn; Prof. Jing Feng, Faculty of Materials Science
and Engineering, Kunming University of Science and Technology, 326 Materials Science and Engineering Building, Xuefu Road,
Kunming 650093, Yunnan, China. E-mail: jingfeng@kust.edu.cn
How to cite this article: Chong X, Yu W, Liang Y, Shang SL, Li C, Zhang A, Wei Y, Gao X, Wang Y, Feng J, Chen L, Song H, Liu ZK.
Understanding oxidation resistance of Pt-based alloys through computations of Ellingham diagrams with experimental
verifications. J Mater Inf 2023;3:21. https://dx.doi.org/10.20517/jmi.2023.17
Received: 30 Apr 2023 First Decision: 29 Jun 2023 Revised: 6 Sep 2023 Accepted: 8 Oct 2023 Published: 12 Oct 2023
Academic Editors: Xingjun Liu, Lijun Zhang Copy Editor: Pei-Yun Wang Production Editor: Pei-Yun Wang
Abstract
Thermodynamic calculations of Ellingham diagrams and the forming oxides have been performed relevant to the
Pt-based alloys Pt Al M (M = Cr, Hf, Pt, and Ta). The predicted Ellingham diagrams indicate that the elements Hf
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and Al are easy to oxidize, followed by Ta and Cr, while Pt is extremely difficult to oxidize. Oxidation experiments
characterized by X-ray diffraction (XRD) and electron probe micro-analyzers verify the present thermodynamic
predictions, showing that the best alloy with superior oxidation resistance is Pt Al Cr , followed by Pt Al due to
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the formation of the dense and continuous α-Al O scale on the surface of alloys; while the worse alloy is Pt Al Hf
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followed by Pt Al Ta due to drastic internal oxidation and the formation of deleterious HfO , AlTaO , and Ta O .
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The present work, combining computations with experimental verifications, provides a fundamental understanding
and knowledgebase to develop Pt-based superalloys with superior oxidation resistance that can be used in ultra-
high temperatures.

Keywords: Ellingham diagrams, Pt-based alloys, oxidation resistance, XRD, EPMA

© The Author(s) 2023. Open Access This article is licensed under a Creative Commons Attribution 4.0
International License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, sharing,
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