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

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

doi:10.1063/1.4959776

Title: Crossover from disordered to core-shell structures of nano-oxide Y₂O₃ dispersed particles in Fe

Abstract

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.

Authors:

Higgins, M. P. ^[1]; Lu, C. Y. ^[2]; Lu, Z. ^[3];

^[4]; Wang, L. M. ^[1]; Gao, F. ^[1]

Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Nuclear Engineering and Radiological Sciences
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
Northeastern Univ., Shenyang (China). Key Lab. for Anisotropy and Texture of Materials
Texas A & M Univ., College Station, TX (United States). Dept. of Nuclear Engineering

Publication Date:: Fri Jul 22 00:00:00 EDT 2016

Research Org.:: Texas A & M Univ., College Station, TX (United States)

Sponsoring Org.:: USDOE Office of Nuclear Energy (NE)

OSTI Identifier:: 1467856

Alternate Identifier(s):: OSTI ID: 1268443

Grant/Contract Number:: NE0008297

Resource 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)

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

Citation Formats


                    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., 2016. 
Web.  doi:10.1063/1.4959776.

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                    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.  https://doi.org/10.1063/1.4959776

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                    Higgins, M. P., Lu, C. Y., Lu, Z., Shao, L., Wang, L. M., and Gao, F. Fri .  
"Crossover from disordered to core-shell structures of nano-oxide Y2O3 dispersed particles in Fe".  United States.  https://doi.org/10.1063/1.4959776.  https://www.osti.gov/servlets/purl/1467856.

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@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         = {Fri Jul 22 00:00:00 EDT 2016},

  month        = {Fri Jul 22 00:00:00 EDT 2016}

}

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Works referencing / citing this record:

Reduction of defect generation and development of sinks at nanocluster boundary in oxide dispersion-strengthened steel
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Title: Crossover from disordered to core-shell structures of nano-oxide Y2O3 dispersed particles in Fe

Abstract

Citation Formats

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