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Area of Science:

  • Materials Science
  • Surface Science
  • Metallurgy

Background:

  • Surface passivation is crucial for corrosion and oxidation resistance in alloys.
  • Initial oxidation behavior is known to vary with crystal facet, but the mechanism is unclear.

Purpose of the Study:

  • To investigate the atomic-level mechanisms of crystal facet-dependent initial oxidation in alloys.
  • To understand how different crystal facets influence the early stages of oxidation.

Main Methods:

  • In situ environmental transmission electron microscopy (TEM) was used to observe oxidation at the atomic scale.
  • Density functional theory (DFT) calculations were employed to model atomic diffusion at interfaces.

Main Results:

  • The (001) surface of a Ni-5Cr alloy exhibited higher initial oxidation resistance compared to the (111) surface.
  • An interfacial atomic sieving effect, controlling selective atomic species diffusion, was identified as the mechanism.
  • DFT calculations confirmed enhanced oxygen diffusion across the Ni(111)/NiO(111) interface versus the Ni(001)/NiO(111) interface.

Conclusions:

  • Crystal facet orientation significantly impacts initial oxidation rates in alloys.
  • The observed differences are attributed to facet-dependent interfacial atomic diffusion.
  • Materials with initially fast oxidation rates on certain facets may transition to slower steady-state oxidation.