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

Journal Article · Fri Jul 22 00:00:00 EDT 2016 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4959776· OSTI ID:1467856

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

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.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

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

Sponsoring Organization:: USDOE Office of Nuclear Energy (NE)

Grant/Contract Number:: NE0008297

OSTI ID:: 1467856

Alternate ID(s):: OSTI ID: 1268443

Journal Information:: Applied Physics Letters, Vol. 109, Issue 3; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 13 works

Citation information provided by
Web of Science

References (29)

Formation of oxide nanoclusters in nanostructured ferritic alloys during anisothermal heat treatment: A kinetic Monte Carlo study Hin, C.; Wirth, B. D. Materials Science and Engineering: A, Vol. 528, Issue 4-5 https://doi.org/10.1016/j.msea.2010.11.017	journal	February 2011
Effects of mechanical alloying time on microstructure and properties of 9Cr–ODS steels Xie, Rui; Lu, Zheng; Lu, Chenyang Journal of Nuclear Materials, Vol. 455, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2014.08.042	journal	December 2014
Microstructural development of a heavily neutron-irradiated ODS ferritic steel (MA957) at elevated temperature Yamashita, S.; Akasaka, N.; Ukai, S. Journal of Nuclear Materials, Vol. 367-370 https://doi.org/10.1016/j.jnucmat.2007.03.145	journal	August 2007
Recent Developments in Irradiation-Resistant Steels Odette, G. R.; Alinger, M. J.; Wirth, B. D. Annual Review of Materials Research, Vol. 38, Issue 1, p. 471-503 https://doi.org/10.1146/annurev.matsci.38.060407.130315	journal	August 2008
Simple pair-wise interactions for hybrid Monte Carlo–molecular dynamics simulations of titania/yttria-doped iron Hammond, Karl D.; Voigt, Hyon-Jee Lee; Marus, Lauren A. Journal of Physics: Condensed Matter, Vol. 25, Issue 5 https://doi.org/10.1088/0953-8984/25/5/055402	journal	January 2013
Core/shell structures of oxygen-rich nanofeatures in oxide-dispersion strengthened Fe–Cr alloys Marquis, Emmanuelle A. Applied Physics Letters, Vol. 93, Issue 18, Article No. 181904 https://doi.org/10.1063/1.3000965	journal	November 2008
Nano-oxide particle stability of 9–12Cr grain morphology modified ODS steels under neutron irradiation Yamashita, S.; Akasaka, N.; Ohnuki, S. Journal of Nuclear Materials, Vol. 329-333 https://doi.org/10.1016/j.jnucmat.2004.04.041	journal	August 2004
Nanometer scale precipitation in ferritic MA/ODS alloy MA957 Miller, M. K.; Hoelzer, D. T.; Kenik, E. A. Journal of Nuclear Materials, Vol. 329-333 https://doi.org/10.1016/j.jnucmat.2004.04.085	journal	August 2004
TEM characterization of structure and composition of nanosized ODS particles in reduced activation ferritic–martensitic steels Klimiankou, M.; Lindau, R.; Möslang, A. Journal of Nuclear Materials, Vol. 329-333 https://doi.org/10.1016/j.jnucmat.2004.04.083	journal	August 2004
New insights into the structure of ODS particles in the ODS-Eurofer alloy Klimenkov, M.; Lindau, R.; Möslang, A. Journal of Nuclear Materials, Vol. 386-388 https://doi.org/10.1016/j.jnucmat.2008.12.174	journal	April 2009
Recent Progress in Developing and Qualifying Nanostructured Ferritic Alloys for Advanced Fission and Fusion Applications Odette, G. R. JOM, Vol. 66, Issue 12 https://doi.org/10.1007/s11837-014-1207-5	journal	November 2014
Morphology, structure, and chemistry of nanoclusters in a mechanically alloyed nanostructured ferritic steel Brandes, M. C.; Kovarik, L.; Miller, M. K. Journal of Materials Science, Vol. 47, Issue 8 https://doi.org/10.1007/s10853-012-6249-x	journal	January 2012
Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
Energetic driving force for preferential binding of self-interstitial atoms to Fe grain boundaries over vacancies Tschopp, M. A.; Horstemeyer, M. F.; Gao, F. Scripta Materialia, Vol. 64, Issue 9 https://doi.org/10.1016/j.scriptamat.2011.01.031	journal	May 2011
Real structure of undoped Y2O3 single crystals Hanic, F.; Hartmanová, M.; Knab, G. G. Acta Crystallographica Section B Structural Science, Vol. 40, Issue 2 https://doi.org/10.1107/S0108768184001774	journal	April 1984
An ab initio study of Ti–Y–O nanocluster energetics in nanostructured ferritic alloys Barnard, L.; Odette, G. R.; Szlufarska, I. Acta Materialia, Vol. 60, Issue 3 https://doi.org/10.1016/j.actamat.2011.11.011	journal	February 2012
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool Stukowski, Alexander Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 1 https://doi.org/10.1088/0965-0393/18/1/015012	journal	December 2009
Lattice Monte Carlo simulations of nanocluster formation in nanostructured ferritic alloys Alinger, M. J.; Wirth, B. D.; Lee, H. -J. Journal of Nuclear Materials, Vol. 367-370 https://doi.org/10.1016/j.jnucmat.2007.03.010	journal	August 2007
Thermodynamic approach to the stability of multi-phase systems: application to the Y ₂ O ₃ –Fe system Samolyuk, G. D.; Osetsky, Y. N. Journal of Physics: Condensed Matter, Vol. 27, Issue 30 https://doi.org/10.1088/0953-8984/27/30/305001	journal	July 2015
Microstructure of a 14Cr-ODS ferritic steel before and after helium ion implantation Lu, Chenyang; Lu, Zheng; Xie, Rui Journal of Nuclear Materials, Vol. 455, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2014.06.065	journal	December 2014
HRTEM Study of yttrium oxide particles in ODS steels for fusion reactor application Klimiankou, M.; Lindau, R.; Möslang, A. Journal of Crystal Growth, Vol. 249, Issue 1-2 https://doi.org/10.1016/S0022-0248(02)02134-6	journal	February 2003
Effect of Ti and Cr on dispersion, structure and composition of oxide nano-particles in model ODS alloys London, A. J.; Santra, S.; Amirthapandian, S. Acta Materialia, Vol. 97 https://doi.org/10.1016/j.actamat.2015.06.032	journal	September 2015
Microstructural changes of neutron irradiated ODS ferritic and martensitic steels Akasaka, N.; Yamashita, S.; Yoshitake, T. Journal of Nuclear Materials, Vol. 329-333 https://doi.org/10.1016/j.jnucmat.2004.04.133	journal	August 2004
Synchrotron study on load partitioning between ferrite/martensite and nanoparticles of a 9Cr ODS steel Mo, Kun; Zhou, Zhangjian; Miao, Yinbin Journal of Nuclear Materials, Vol. 455, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2014.06.060	journal	December 2014
Microstructural evolution in modified 9Cr–1Mo ferritic/martensitic steel irradiated with mixed high-energy proton and neutron spectra at low temperatures Sencer, B. H.; Garner, F. A.; Gelles, D. S. Journal of Nuclear Materials, Vol. 307-311 https://doi.org/10.1016/S0022-3115(02)01198-4	journal	December 2002
Transmission electron microscopy characterization of the nanofeatures in nanostructured ferritic alloy MA957 Wu, Y.; Haney, E. M.; Cunningham, N. J. Acta Materialia, Vol. 60, Issue 8 https://doi.org/10.1016/j.actamat.2012.03.012	journal	May 2012
Atom probe tomography of nanoscale particles in ODS ferritic alloys Miller, M. K.; Kenik, E. A.; Russell, K. F. Materials Science and Engineering: A, Vol. 353, Issue 1-2 https://doi.org/10.1016/S0921-5093(02)00680-9	journal	July 2003
Thermodynamic and kinetic modeling of oxide precipitation in nanostructured ferritic alloys Barnard, L.; Cunningham, N.; Odette, G. R. Acta Materialia, Vol. 91 https://doi.org/10.1016/j.actamat.2015.03.014	journal	June 2015
VMD: Visual molecular dynamics Humphrey, William; Dalke, Andrew; Schulten, Klaus Journal of Molecular Graphics, Vol. 14, Issue 1 https://doi.org/10.1016/0263-7855(96)00018-5	journal	February 1996

Cited By (2)

Reduction of defect generation and development of sinks at nanocluster boundary in oxide dispersion-strengthened steel Higgins, M. P.; Peng, Q.; Shao, L. Journal of Applied Physics, Vol. 126, Issue 8 https://doi.org/10.1063/1.5102090	journal	August 2019
Investigation of structural models for O–Y and O–Y–Ti clusters in bcc Fe: a density functional theory study Vallinayagam, Muthu; Posselt, Matthias; Faßbender, Jürgen Journal of Physics: Condensed Matter, Vol. 31, Issue 9 https://doi.org/10.1088/1361-648x/aaf9cd	journal	January 2019

Similar Records

Crossover from disordered to core-shell structures of nano-oxide Y{sub 2}O{sub 3} dispersed particles in Fe

Journal Article · Mon Jul 18 00:00:00 EDT 2016 · Applied Physics Letters · OSTI ID:1467856

Higgins, M. P.; Wang, L. M.; Lu, C. Y.; +2 more

Synthesis of nano-sized crystalline oxide ion conducting fluorite-type Y{sub 2}O{sub 3}-doped CeO{sub 2} using perovskite-like BaCe{sub 0.9}Y{sub 0.1}O{sub 2.95} (BCY) and study of CO{sub 2} capture properties of BCY

Journal Article · Mon Oct 15 00:00:00 EDT 2007 · Journal of Solid State Chemistry · OSTI ID:1467856

Sneha, B R

Nano-domain states of strontium ferrites SrFe{sub 1−y}M{sub y}O{sub 2.5+x} (M=V, Mo; y≤0.1; x≤0.2)

Journal Article · Fri May 15 00:00:00 EDT 2015 · Journal of Solid State Chemistry · OSTI ID:1467856

Related Subjects

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

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

Citation Formats

References (29)

Cited By (2)

Similar Records

Related Subjects

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