Predicted Fracture Tendency of Naturally Occurring Aluminum Surface Coatings under Tensile Loading

Scher, Jeremy A.; Foley, Brandon; Murialdo, Maxwell; Hao, Yue; Heo, Tae Wook; Weitzner, Stephen E.; Aubry, Sylvie; Kroonblawd, Matthew P.

doi:10.1021/acsami.3c18840

Title: Predicted Fracture Tendency of Naturally Occurring Aluminum Surface Coatings under Tensile Loading

Journal Article · 04 May 2024 · ACS Applied Materials and Interfaces

DOI: https://doi.org/10.1021/acsami.3c18840 · OSTI ID:2377256

^[1];

^[1]; Murialdo, Maxwell ^[1]; Hao, Yue ^[1];

^[1];

^[1]; Aubry, Sylvie ^[1];

^[1]

Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Naturally occurring coatings on aluminum metal, such as its oxide or hydroxide, serve to protect the material from corrosion. Understanding the conditions under which these coatings mechanically fail is therefore expected to be an important aspect of predictive models for aluminum component lifetimes. To this end, we develop and apply a molecular dynamics (MD) modeling framework for conducting tension tests that is capable of isolating factors governing the mechanical strength as a function of coating chemistry, defect morphology, and variables associated with the loading path. We consider two representative materials, including γ-Al₂O₃ and γ-Al(OH)₃ (i.e., oxide and hydroxide), both of which form readily as aluminum surface coatings. Our results indicate that defects have a significant bearing on the strength of aluminum oxide, with grain boundaries serving to reduce the strain at failure from ε_zz = 0.300 to 0.219, relative to perfect single crystal. Our simulations also predict that porosity lowers the elastic stiffness and yield strength of the oxide. Relative to perfect crystal, we find porosity factors of 5%, 10% and 20% decrease the yield stress by 26%, 36% and 53%, respectively. MD predicts that perfect hydroxide and oxide single crystal have respective strains at failure of 0.08 and 0.31 under tensile uniaxial strain loading, and that the corresponding yield stresses are respectively 1.6 and 11.1 GPa. These data indicate that the hydroxide is substantially more susceptible to mechanical failure than the oxide. Our results, coupled with literature findings that indicate hot and humid conditions favor formation of hydroxide and defective oxide coatings, indicate the potential for a complicated dependence of aluminum corrosion susceptibility and stress corrosion cracking on aging history.

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Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 2377256

Report Number(s):: LLNL-JRNL-857733; 1087664

Journal Information:: ACS Applied Materials and Interfaces, Journal Name: ACS Applied Materials and Interfaces Journal Issue: 19 Vol. 16; ISSN 1944-8244

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: Predicted Fracture Tendency of Naturally Occurring Aluminum Surface Coatings under Tensile Loading

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