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Title: Crossover from disordered to core-shell structures of nano-oxide Y 2O 3 dispersed particles in Fe

Here, molecular dynamic simulations of Y 2O 3 in bcc Fe and transmission electron microscopy (TEM) observations were used to understand the structure of Y 2O 3 nano-clusters in an oxide dispersion strengthened steel matrix. The study showed that Y 2O 3 nano-clusters below 2 nm were completely disordered. Y 2O 3 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. Y 2O 3 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.
Authors:
 [1] ;  [2] ;  [3] ; ORCiD logo [4] ;  [1] ;  [1]
  1. Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Nuclear Engineering and Radiological Sciences
  2. Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Nuclear Engineering and Radiological Sciences; Northeastern Univ., Shenyang (China). Key Lab. for Anisotropy and Texture of Materials
  3. Northeastern Univ., Shenyang (China). Key Lab. for Anisotropy and Texture of Materials
  4. Texas A & M Univ., College Station, TX (United States). Dept. of Nuclear Engineering
Publication Date:
Grant/Contract Number:
NE0008297
Type:
Accepted Manuscript
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 109; Journal Issue: 3; Journal ID: ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)
Research Org:
Texas A & M Univ., College Station, TX (United States)
Sponsoring Org:
USDOE Office of Nuclear Energy (NE)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 42 ENGINEERING; 73 NUCLEAR PHYSICS AND RADIATION PHYSICS; oxide dispersion strengthened (ODS) alloy; molecular dynamics (MD); disordered oxides; crystalline oxides; nanoparticles; lattice constants; shell model; transmission electron microscopy; crystal structure; density functional theory; atom irradiation effects; molecular dynamics; nanostructures; particle distribution functions
OSTI Identifier:
1467856
Alternate Identifier(s):
OSTI ID: 1268443

Higgins, M. P., Lu, C. Y., Lu, Z., Shao, L., Wang, L. M., and Gao, F.. Crossover from disordered to core-shell structures of nano-oxide Y2O3 dispersed particles in Fe. United States: N. p., Web. doi:10.1063/1.4959776.
Higgins, M. P., Lu, C. Y., Lu, Z., Shao, L., Wang, L. M., & Gao, F.. Crossover from disordered to core-shell structures of nano-oxide Y2O3 dispersed particles in Fe. United States. doi:10.1063/1.4959776.
Higgins, M. P., Lu, C. Y., Lu, Z., Shao, L., Wang, L. M., and Gao, F.. 2016. "Crossover from disordered to core-shell structures of nano-oxide Y2O3 dispersed particles in Fe". United States. doi:10.1063/1.4959776. https://www.osti.gov/servlets/purl/1467856.
@article{osti_1467856,
title = {Crossover from disordered to core-shell structures of nano-oxide Y2O3 dispersed particles in Fe},
author = {Higgins, M. P. and Lu, C. Y. and Lu, Z. and Shao, L. and Wang, L. M. and Gao, F.},
abstractNote = {Here, 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.},
doi = {10.1063/1.4959776},
journal = {Applied Physics Letters},
number = 3,
volume = 109,
place = {United States},
year = {2016},
month = {7}
}