Quantitative characterization of the atomic-scale structure of oxyhydroxides in rusts formed on steel surfaces

M. Saito, S. Suzuki, M. Kimura, T. Suzuki, H. Kihira, Y. Waseda

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)


Quantitative X-ray structural analysis coupled with anomalous X-ray scattering has been used for characterizing the atomic-scale structure of rust formed on steel surfaces. Samples were prepared from rust layers formed on the surfaces of two commercial steels. X-ray scattered intensity profiles of the two samples showed that the rusts consisted mainly of two types of ferric oxyhydroxide, α-FeOOH and γ-FeOOH. The amounts of these rust components and the realistic atomic arrangements in the components were estimated by fitting both the ordinary and the environmental interference functions with a model structure calculated using the reverse Monte Carlo simulation technique. The two rust components were found to be the network structure formed by FeO6 octahedral units, the network structure itself deviating from the ideal case. The present results also suggest that the structural analysis method using anomalous X-ray scattering and the reverse Monte Carlo technique is very successful in determining the atomic-scale structure of rusts formed on the steel surfaces.

Original languageEnglish
Pages (from-to)288-297
Number of pages10
JournalMaterials Characterization
Issue number4-5
Publication statusPublished - 2005 Nov


  • Anomalous scattering
  • Atomic structure
  • Reverse Monte Carlo simulation
  • Rust
  • X-ray diffraction

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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