journal article·2023-04Open access

Phase-field modeling of alloy oxidation at high temperatures

Rui Wang, Yanzhou Ji, Tian-Le Cheng, Fei Xue, Long-Qing Chen, You-Hai Wen

Acta Materialia· Volume 248

Abstract

Oxide growth is a complex process involving transport of reactive species, heterogeneous reactions, and microstructure evolution. Predicting oxidation kinetics, especially the oxide morphological change has been a longstanding challenge. Here we develop a phase-field model for predicting the oxide growth kinetics of a multicomponent alloy during high temperature oxidation, focusing on internal oxidation (non-protective) and its transition to external oxidation (protective). The predicted kinetics and oxide morphology are analyzed and compared to the classical Wagner`s theory and an existing analytical model by Zhao and Gleeson. Some assumptions used in the analytical models and the limitation are discussed. In addition, it is demonstrated that the morphology and distribution of the initial oxide nuclei play an important role in the later stage oxide connectivity and thus the transition to external oxidation.
Source: expertdata · Quality: candidate unverified · Source record ↗

Research context

OpenAlex topics: Solidification and crystal growth phenomena · Aluminum Alloy Microstructure Properties · High-Temperature Coating Behaviors

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (32)

Show source-provided references
1. High temperature oxidation of Fe-Al and Fe-Cr-Al alloys: the role of Cr as a chemically active element10.1016/j.corsci.2010.06.019 ↗
2. Enhanced internal oxidation as trigger for breakaway oxidation of Fe–Cr alloys in gases containing water vapor10.1016/j.scriptamat.2007.06.058 ↗
3. Mechanism of breakaway oxidation of Fe-Cr and Fe-Cr-Ni alloys in dry and wet carbon dioxide
4. On the breakaway oxidation of Fe9Cr1Mo steel in high pressure CO210.1016/j.actamat.2017.02.034 ↗
5. Effect of alloy composition and exposure conditions on the selective oxidation behavior of ferritic Fe-Cr and Fe-Cr-X alloys10.1007/s11085-010-9215-5 ↗
6. Diffusion and growth mechanism of Al2O3 scales on ferritic Fe-Cr-Al alloys10.1016/S0921-5093(97)00711-9 ↗
7. Oxidation behavior of Ni3Al and Fe3Al: II. early stage of oxide growth10.1023/A:1012537331730 ↗
8. Birks · 2006
9. Oxidation of Ni-Cr-Al Alloys Between 1000° and 1200°C10.1149/1.2407837 ↗
10. Alumina scale formation: a new perspective
11. The formation of aluminum oxide scales on high-temperature alloys10.1007/BF00666913 ↗
12. Oxidation of Ni-Cr alloy at intermediate oxygen pressures. II. Towards the lifetime prediction of alloys10.1016/j.corsci.2016.05.024 ↗
13. Oxidation of Ni-Cr alloy at intermediate oxygen pressures. I. diffusion mechanisms through the oxide layer10.1016/j.corsci.2016.05.025 ↗
14. Reaktionstypen bei der oxydation von legierungen, zeitschrift für elektrochemie
15. Oxidation mechanisms for nickel-aluminum alloys at temperatures between 900° and 1300°C
16. Transport processes during the growth of oxide films at elevated temperature10.1103/RevModPhys.57.437 ↗
17. A review of the role of short-circuit diffusion in the oxidation of nickel, chromium, and nickel-chromium alloys10.1007/BF00664231 ↗
18. Impurity effects on alumina scale growth10.1111/j.1151-2916.2003.tb03355.x ↗
19. Theory of the oxidation of metals10.1088/0034-4885/12/1/308 ↗
20. Toward a quantitative understanding of the electric field in thermal metal oxidation and a self-consistent Wagner theory10.1021/jz5008627 ↗
21. Diffuse-interface modeling and multiscale-relay simulation of metal oxidation kinetics with revisit on Wagner's theory10.1021/jp409811e ↗
22. Phase-field model of oxidation: equilibrium10.1103/PhysRevE.95.032801 ↗
23. Quantitative approach for determining the critical volume fraction for the transition from internal to external oxidation10.1007/s11085-014-9516-1 ↗
24. Phase-field model of oxidation: kinetics10.1103/PhysRevE.101.022802 ↗
25. Phase-field models for microstructure evolution10.1146/annurev.matsci.32.112001.132041 ↗
26. Fromhold · 1976
27. Ji · 2018
28. Phase-field model of stoichiometric compounds and solution phases10.1016/j.actamat.2022.118007 ↗
29. A phase-field study on internal to external oxidation transition in high-temperature structural alloys10.1007/s11837-022-05174-7 ↗
30. Ross · 2015
31. Thermodynamics of Nickel-Aluminum-Oxygen system between 900 and 1400 K10.1149/1.2127225 ↗
32. Kinetic modeling of high temperature oxidation of Ni-base alloys10.1016/j.commatsci.2010.10.006 ↗