Crossover from disordered to core-shell structures of nano-oxide Y2O3 dispersed particles in Fe Academic Article uri icon


  • © 2016 Author(s). Molecular dynamic simulations of Y2O3 in bcc Fe and transmission electron microscopy (TEM) observations were used to understand the structure of Y2O3 nano-clusters in an oxide dispersion strengthened steel matrix. The study showed that Y2O3 nano-clusters below 2 nm were completely disordered. Y2O3 nano-clusters above 2 nm, however, form a core-shell structure, with a shell thickness of 0.5-0.7 nm that is independent of nano-cluster size. Y2O3 nano-clusters were surrounded by off-lattice Fe atoms, further increasing the stability of these nano-clusters. TEM was used to corroborate our simulation results and showed a crossover from a disordered nano-cluster to a core-shell structure.

altmetric score

  • 0.5

author list (cited authors)

  • Higgins, M. P., Lu, C. Y., Lu, Z., Shao, L., Wang, L. M., & Gao, F.

citation count

  • 8

publication date

  • July 2016