Nonequilibrium Solute Capture in Passivating Oxide Films

Xiao Xiang Yu, Ahmet Gulec, Quentin Sherman, Katie Lutton Cwalina, John R. Scully, John H. Perepezko, Peter W. Voorhees, Laurence D. Marks*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

51 Scopus citations


We report experimental results on the composition and crystallography of oxides formed on NiCrMo alloys during both high-temperature oxidation and aqueous corrosion experiments. Detailed characterization using transmission electron microscopy and diffraction, aberration-corrected chemical analysis, and atom probe tomography shows unexpected combinations of composition and crystallography, far outside thermodynamic solubility limits. The results are explained using a theory for nonequilibrium solute capture that combines thermodynamic, kinetic, and density functional theory analyses. In this predictive nonequilibrium framework, the composition and crystallography are controlled by the rapidly moving interface. The theoretical framework explains the unusual combinations of composition and crystallography, which we predict will be common for many other systems in oxidation and corrosion, and other solid-state processes involving nonequilibrium moving interfaces.

Original languageEnglish (US)
Article number145701
JournalPhysical review letters
Issue number14
StatePublished - Oct 4 2018

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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