Phase-field modeling of alloy oxidation at high temperatures

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

doi:10.1016/j.actamat.2023.118776

Title: Phase-field modeling of alloy oxidation at high temperatures

Journal Article · 12 February 2023 · Acta Materialia

DOI: https://doi.org/10.1016/j.actamat.2023.118776 · OSTI ID:1958307

^[1];

^[2]; Cheng, Tian-Le ^[3];

^[3]; Chen, Long-Qing ^[2]; Wen, You-Hai ^[3]

National Energy Technology Lab. (NETL), Albany, OR (United States); Pennsylvania State Univ., University Park, PA (United States)
Pennsylvania State Univ., University Park, PA (United States)
National Energy Technology Lab. (NETL), Albany, OR (United States)

Oxide growth is a complex process involving transport of reactive species, heterogeneous reactions, and microstructure evolution. Predicting oxidation kinetics and especially the oxide morphological change has been a long-standing 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). In this work, 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.

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Research Organization:: National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV, and Albany, OR (United States)

Sponsoring Organization:: USDOE Office of Fossil Energy (FE); National Science Foundation (NSF)

OSTI ID:: 1958307

Alternate ID(s):: OSTI ID: 1957678

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Vol. 248; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
Phase-field method
Oxidation
Alloys
Internal oxidation

Title: Phase-field modeling of alloy oxidation at high temperatures

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