双相 AlCoCr0.5Fe2.5Ni2.5 和单相 Al0.25CoCrFeNi 高熵合金的高温氧化行为

IF 4.3 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Intermetallics Pub Date : 2024-11-04 DOI:10.1016/j.intermet.2024.108553

Han Hu , Fangjie Li , Min Liu , Dongye Yang , Zongxin Zhu , Qin Shen , Zhigang Yu

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引用次数: 0

摘要

本研究从理论和实验两方面考察了 AlCoCr0.5Fe2.5Ni2.5 和 Al0.25CoCrFeNi 合金在空气气氛中 800 °C 下 10 小时和 180 小时的氧化行为。结果表明，在相同的氧化条件下，双相 AlCoCr0.5Fe2.5Ni2.5 合金的增重遵循抛物线速率规律，而单相 Al0.25CoCrFeNi 合金的增重值几乎保持不变。氧化鳞片的表面分析证实了 Al2O3、Cr2O3 和 Fe3O4 氧化物的形成。将实验结果与热力学模型和密度泛函理论（DFT）计算结果进行比较后发现，AlCoCr0.5Fe2.5Ni2.5 和 Al0.25CoCrFeNi 合金中的 Al 和 Cr 首先分别被氧化，然后在这两种合金中出现了外层 Fe3O4 鳞片。AlCoCr0.5Fe2.5Ni2.5合金的抗高温氧化能力较弱，这主要归因于其晶界和相界比例较高，以及在FCC/BCC相界处元素扩散增强而形成的破碎氧化层。根据热力学和 DFT 计算宣布了两种合金中元素的迁移和氧化层的氧化过程。

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High temperature oxidation behavior of the dual-phase AlCoCr0.5Fe2.5Ni2.5 and single phase Al0.25CoCrFeNi high entropy alloys

This study examined both theoretically and experimentally the oxidation behavior of AlCoCr_0.5Fe_2.5Ni_2.5 and Al_0.25CoCrFeNi alloys in the time for 10 h and 180 h at 800 °C in air atmosphere. The results showed that the weight gain of the dual-phase AlCoCr_0.5Fe_2.5Ni_2.5 alloy followed the parabolic rate law, while this value persisted almost unchanged for the single-phase Al_0.25CoCrFeNi alloy at the same oxidizing condition. Surface analysis of the oxide scale confirmed the formation of Al₂O₃, Cr₂O₃ and Fe₃O₄ oxides. Comparing the experimental results with thermodynamic models and Density functional theory (DFT) calculations suggests that Al and Cr are first oxidized in the AlCoCr_0.5Fe_2.5Ni_2.5 and Al_0.25CoCrFeNi alloys, respectively, then outer Fe₃O₄ scale appeared in the two alloys. The weak resistance to high temperature oxidation of AlCoCr_0.5Fe_2.5Ni_2.5 alloy was mainly ascribed to its high fraction of grain and phase boundaries, as well as the fragmented oxide layer formed due to enhanced element diffusion at the FCC/BCC phase boundaries. The element migration and oxidation process of oxide layers in the two alloys were declared based on thermodynamic and DFT calculations.

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来源期刊

Intermetallics 工程技术-材料科学：综合

CiteScore

7.80

自引率

9.10%

发文量

291

审稿时长

37 days

期刊介绍： This journal is a platform for publishing innovative research and overviews for advancing our understanding of the structure, property, and functionality of complex metallic alloys, including intermetallics, metallic glasses, and high entropy alloys. The journal reports the science and engineering of metallic materials in the following aspects: Theories and experiments which address the relationship between property and structure in all length scales. Physical modeling and numerical simulations which provide a comprehensive understanding of experimental observations. Stimulated methodologies to characterize the structure and chemistry of materials that correlate the properties. Technological applications resulting from the understanding of property-structure relationship in materials. Novel and cutting-edge results warranting rapid communication. The journal also publishes special issues on selected topics and overviews by invitation only.