Irradiation-induced formation of a spinel phase at the FeCr/MgO interface
Abstract
Oxide dispersion strengthened ferritic/martensitic alloys have attracted significant attention for their potential uses in future nuclear reactors and storage vessels, as the metal/oxide interfaces act as stable high-strength sinks for point defects while also dispersing helium. Here, in order to unravel the evolution and interplay of interface structure and chemistry upon irradiation in these types of materials, an atomically sharp FeCr/MgO interface was synthesized at 500 °C and separately annealed and irradiated with Ni3+ ions at 500 °C. After annealing, a slight enrichment of Cr atoms was observed at the interface, but no other structural changes were found. However, under irradiation, sufficient Cr diffuses across the interface into the MgO to form a Cr-enriched transition layer that contains spinel precipitates. First-principles calculations indicate that it is energetically favorable to incorporate Cr, but not Fe, substitutionally into MgO. Furthermore, our results indicate that irradiation can be used to form new phases and complexions at interfaces, which may have different radiation tolerance than the pristine structures.
- Authors:
-
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States); New Mexico State Univ., Las Cruces, NM (United States)
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Univ. of Michigan, Ann Arbor, MI (United States)
- New Mexico State Univ., Las Cruces, NM (United States)
- Publication Date:
- Research Org.:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1248734
- Alternate Identifier(s):
- OSTI ID: 1251005
- Report Number(s):
- LA-UR-15-22232
Journal ID: ISSN 1359-6454; PII: S1359645415002189
- Grant/Contract Number:
- AC52-06NA25396
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Acta Materialia
- Additional Journal Information:
- Journal Volume: 93; Journal Issue: C; Journal ID: ISSN 1359-6454
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; metal/oxide interfaces; spinel phase; DFT calculations
Citation Formats
Xu, Yun, Yadav, Satyesh Kumar, Aguiar, Jeffery A., Anderoglu, Osman, Baldwin, Jon Kevin, Wang, Yongqiang, Misra, Amit, Luo, Hongmei, Uberuaga, Blas P., and Li, Nan. Irradiation-induced formation of a spinel phase at the FeCr/MgO interface. United States: N. p., 2015.
Web. doi:10.1016/j.actamat.2015.03.042.
Xu, Yun, Yadav, Satyesh Kumar, Aguiar, Jeffery A., Anderoglu, Osman, Baldwin, Jon Kevin, Wang, Yongqiang, Misra, Amit, Luo, Hongmei, Uberuaga, Blas P., & Li, Nan. Irradiation-induced formation of a spinel phase at the FeCr/MgO interface. United States. https://doi.org/10.1016/j.actamat.2015.03.042
Xu, Yun, Yadav, Satyesh Kumar, Aguiar, Jeffery A., Anderoglu, Osman, Baldwin, Jon Kevin, Wang, Yongqiang, Misra, Amit, Luo, Hongmei, Uberuaga, Blas P., and Li, Nan. Mon .
"Irradiation-induced formation of a spinel phase at the FeCr/MgO interface". United States. https://doi.org/10.1016/j.actamat.2015.03.042. https://www.osti.gov/servlets/purl/1248734.
@article{osti_1248734,
title = {Irradiation-induced formation of a spinel phase at the FeCr/MgO interface},
author = {Xu, Yun and Yadav, Satyesh Kumar and Aguiar, Jeffery A. and Anderoglu, Osman and Baldwin, Jon Kevin and Wang, Yongqiang and Misra, Amit and Luo, Hongmei and Uberuaga, Blas P. and Li, Nan},
abstractNote = {Oxide dispersion strengthened ferritic/martensitic alloys have attracted significant attention for their potential uses in future nuclear reactors and storage vessels, as the metal/oxide interfaces act as stable high-strength sinks for point defects while also dispersing helium. Here, in order to unravel the evolution and interplay of interface structure and chemistry upon irradiation in these types of materials, an atomically sharp FeCr/MgO interface was synthesized at 500 °C and separately annealed and irradiated with Ni3+ ions at 500 °C. After annealing, a slight enrichment of Cr atoms was observed at the interface, but no other structural changes were found. However, under irradiation, sufficient Cr diffuses across the interface into the MgO to form a Cr-enriched transition layer that contains spinel precipitates. First-principles calculations indicate that it is energetically favorable to incorporate Cr, but not Fe, substitutionally into MgO. Furthermore, our results indicate that irradiation can be used to form new phases and complexions at interfaces, which may have different radiation tolerance than the pristine structures.},
doi = {10.1016/j.actamat.2015.03.042},
journal = {Acta Materialia},
number = C,
volume = 93,
place = {United States},
year = {Mon Apr 27 00:00:00 EDT 2015},
month = {Mon Apr 27 00:00:00 EDT 2015}
}
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Works referenced in this record:
Metal-oxide interfaces
journal, April 1995
- Ernst, F.
- Materials Science and Engineering: R: Reports, Vol. 14, Issue 3
Ceramic/metal joining for structural applications
journal, September 1985
- Nicholas, M. G.; Mortimer, D. A.
- Materials Science and Technology, Vol. 1, Issue 9
Structure and chemistry of metal/ceramic interfaces
journal, January 1989
- Rühle, M.; Evans, A. G.
- Materials Science and Engineering: A, Vol. 107
Ceramic/metal interface structures and their relationship to atomic- and meso-scale properties
journal, December 2003
- Sinnott, Susan B.; Dickey, Elizabeth C.
- Materials Science and Engineering: R: Reports, Vol. 43, Issue 1-2
Bonding, structure, and properties of metal/ceramic interfaces: Part 1 Chemical bonding, chemical reaction, and interfacial structure
journal, January 1993
- Howe, J. M.
- International Materials Reviews, Vol. 38, Issue 5
Epitaxy of fcc metals on dielectric substrates
journal, January 1994
- Bialas, H.; Heneka, K.
- Vacuum, Vol. 45, Issue 1
Bonding at metal-ceramic interfaces; AB Initio density-functional calculations for Ti and Ag on MgO
journal, January 1992
- Scho¨nberger, U.; Andersen, O. K.; Methfessel, M.
- Acta Metallurgica et Materialia, Vol. 40
Electron microscopy studies of metal/MgO interfaces
journal, March 1992
- Lu, P.; Cosandey, F.
- Ultramicroscopy, Vol. 40, Issue 3
Dislocation structures at CuMgO and PdMgO interfaces
journal, January 1992
- Lu, P.; Cosandey, F.
- Acta Metallurgica et Materialia, Vol. 40
High resolution transmission electron microscopy studies of the Ag/MgO interface
journal, January 1992
- Trampert, A.; Ernst, F.; Flynn, C. P.
- Acta Metallurgica et Materialia, Vol. 40
High-resolution electron microscopy of Cu/MgO and Pd/MgO interfaces
journal, June 1994
- Chen, F. R.; Chiou, S. K.; Chang, L.
- Ultramicroscopy, Vol. 54, Issue 2-4
Atomic-scale structure and chemistry of ceramic/metal interfaces—I. Atomic structure of {222} MgO/Cu (Ag) interfaces
journal, November 1999
- Shashkov, D. A.; Chisholm, M. F.; Seidman, D. N.
- Acta Materialia, Vol. 47, Issue 15-16
Comparative theoretical study of the Ag–MgO (100) and (110) interfaces
journal, November 1999
- Zhukovskii, Yu. F.; Kotomin, E. A.; Jacobs, P. W. M.
- Surface Science, Vol. 441, Issue 2-3
The adhesion nature of the Ag/MgO(100) interface: an ab initio study
journal, February 1998
- Heifets, E.; Zhukovskii, Yu. F.; Kotomin, E. A.
- Chemical Physics Letters, Vol. 283, Issue 5-6
Experimental and theoretical study of the MgO/Ag() interface
journal, May 2002
- Giovanardi, C.; di Bona, A.; Moia, T. S.
- Surface Science, Vol. 505
Structure of Cr film epitaxially grown on MgO(001)
journal, June 2011
- Wang, Chong-Min; Kaspar, Tiffany C.; Shutthanandan, Vaithiyalingam
- Acta Materialia, Vol. 59, Issue 11
Importance of metal–metal bondings at the interface of MgO and 3d-transition metals
journal, November 1998
- Tanaka, I.; Mizuno, M.; Nakajyo, S.
- Acta Materialia, Vol. 46, Issue 18
Structure of V–MgO and MgO–V interfaces
journal, July 1995
- Ikuhara, Y.; Pirouz, P.; Yadavalli, S.
- Philosophical Magazine A, Vol. 72, Issue 1
The characterization of NbAl2O3 and NbMgO interfaces in MBE grown NbMgONbAl2O3 multilayers
journal, January 1992
- Li, D. X.; Pirouz, P.; Heuer, A. H.
- Acta Metallurgica et Materialia, Vol. 40
Interface structure of Nb films on single crystal MgO(100) and MgO(111) substrates
journal, February 2014
- Fu, E. G.; Fang, Y.; Zhuo, M. J.
- Acta Materialia, Vol. 64
Recent Developments in Irradiation-Resistant Steels
journal, August 2008
- Odette, G. R.; Alinger, M. J.; Wirth, B. D.
- Annual Review of Materials Research, Vol. 38, Issue 1, p. 471-503
Response of nanoclusters in a 9Cr ODS steel to 1dpa, 525°C proton irradiation
journal, December 2010
- Certain, A. G.; Field, K. G.; Allen, T. R.
- Journal of Nuclear Materials, Vol. 407, Issue 1
Radiation response of a 9 chromium oxide dispersion strengthened steel to heavy ion irradiation
journal, March 2008
- Allen, T. R.; Gan, J.; Cole, J. I.
- Journal of Nuclear Materials, Vol. 375, Issue 1
Effects of heavy-ion irradiation on the grain boundary chemistry of an oxide-dispersion strengthened Fe–12wt.% Cr alloy
journal, October 2011
- Marquis, Emmanuelle A.; Lozano-Perez, Sergio; Castro, Vanessa de
- Journal of Nuclear Materials, Vol. 417, Issue 1-3
Effects of heavy-ion irradiation on solute segregation to dislocations in oxide-dispersion-strengthened Eurofer 97 steel
journal, May 2011
- Williams, Ceri A.; Hyde, Jonathan M.; Smith, George D. W.
- Journal of Nuclear Materials, Vol. 412, Issue 1
On the structure and chemistry of complex oxide nanofeatures in nanostructured ferritic alloy U14YWT
journal, June 2012
- Bhattacharyya, D.; Dickerson, P.; Odette, G. R.
- Philosophical Magazine, Vol. 92, Issue 16
Nuclear reactor materials at the atomic scale
journal, November 2009
- Marquis, Emmanuelle A.; Hyde, Jonathan M.; Saxey, David W.
- Materials Today, Vol. 12, Issue 11
Core/shell structures of oxygen-rich nanofeatures in oxide-dispersion strengthened Fe–Cr alloys
journal, November 2008
- Marquis, Emmanuelle A.
- Applied Physics Letters, Vol. 93, Issue 18, Article No. 181904
In situ studies of radiation induced crystallization in Fe/a-Y2O3 nanolayers
journal, September 2014
- Chen, Y.; Jiao, L.; Sun, C.
- Journal of Nuclear Materials, Vol. 452, Issue 1-3
Solute redistribution and phase stability at FeCr/TiO2− interfaces under ion irradiation
journal, May 2015
- Xu, Y.; Aguiar, J. A.; Yadav, S. K.
- Acta Materialia, Vol. 89
On the use of SRIM for computing radiation damage exposure
journal, September 2013
- Stoller, R. E.; Toloczko, M. B.; Was, G. S.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 310
SRIM – The stopping and range of ions in matter (2010)
journal, June 2010
- Ziegler, James F.; Ziegler, M. D.; Biersack, J. P.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 268, Issue 11-12
Misfit accommodation mechanisms at moving reaction fronts during topotaxial spinel-forming thin-film solid-state reactions: A high-resolution transmission electron microscopy study of five spinels of different misfits
journal, April 1997
- Sieber, H.; Hess, D.; Werner, P.
- Philosophical Magazine A, Vol. 75, Issue 4
Ion implantation and annealing of crystalline oxides
journal, January 1989
- White, C. W.; McHargue, C. J.; Sklad, P. S.
- Materials Science Reports, Vol. 4, Issue 2
Formation and growth process of defect clusters in magnesia under ion irradiation
journal, May 1997
- Sonoda, Takeshi; Abe, Hiroaki; Kinoshita, Chiken
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 127-128
Enhanced ion irradiation tolerance properties in TiN/MgO nanolayer films
journal, March 2013
- Jiao, L.; Chen, A.; Myers, M. T.
- Journal of Nuclear Materials, Vol. 434, Issue 1-3
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Special quasirandom structures
journal, July 1990
- Zunger, Alex; Wei, S.-H.; Ferreira, L. G.
- Physical Review Letters, Vol. 65, Issue 3, p. 353-356
Ion-beam-induced spinel-to-rocksalt structural phase transformation in MgAl2O4
journal, May 2000
- Ishimaru, Manabu; Afanasyev-Charkin, Ivan V.; Sickafus, Kurt E.
- Applied Physics Letters, Vol. 76, Issue 18
Interstitial-oxygen-atom diffusion in MgO
journal, March 1996
- Brudevoll, T.; Kotomin, E. A.; Christensen, N. E.
- Physical Review B, Vol. 53, Issue 12
Hybrid functional studies of the oxygen vacancy in
journal, February 2010
- Janotti, A.; Varley, J. B.; Rinke, P.
- Physical Review B, Vol. 81, Issue 8
Li, Al, and Ni Substitutional Doping in MgO Ultrathin Films on Metals: Work Function Tuning via Charge Compensation
journal, February 2012
- Prada, Stefano; Giordano, Livia; Pacchioni, Gianfranco
- The Journal of Physical Chemistry C, Vol. 116, Issue 9
Assessment of radiation-induced segregation mechanisms in austenitic and ferritic–martensitic alloys
journal, April 2011
- Was, Gary S.; Wharry, Janelle P.; Frisbie, Brian
- Journal of Nuclear Materials, Vol. 411, Issue 1-3
Application of the inverse Kirkendall model of radiation-induced segregation to ferritic–martensitic alloys
journal, June 2012
- Wharry, Janelle P.; Jiao, Zhijie; Was, Gary S.
- Journal of Nuclear Materials, Vol. 425, Issue 1-3
Cation disorder in high dose, neutron-irradiated spinel
journal, March 1995
- Sickafus, K. E.; Larson, A. C.; Yu, N.
- Journal of Nuclear Materials, Vol. 219
Radiation resistance of the oxide spinel: the role of stoichiometry on damage response
journal, August 1996
- Sickafus, Kurt E.; Yu, Ning; Nastasi, Michael
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 116, Issue 1-4
Irradiated Microstructures of Magnesium Aluminate Spinel and their Controlling Factors
journal, January 1998
- Kinoshita, C.; Matsumura, S.; Yasuda, K.
- MRS Proceedings, Vol. 540
Radiation Tolerance of Complex Oxides
journal, August 2000
- Sickafus, K. E.
- Science, Vol. 289, Issue 5480
Structure of the metastable state in ion-irradiated magnesio-aluminate spinel
journal, September 1995
- Devanathan, Ram; Sickafus, Kurt E.; Yu, Ning
- Philosophical Magazine Letters, Vol. 72, Issue 3
First observation of' amorphization in single-crystal MgA1 2 O 4 spinel
journal, October 1994
- Yu, Ning; Sickafus, Kurt E.; Nastasi, Michael
- Philosophical Magazine Letters, Vol. 70, Issue 4
ZrSi formation at ZrN/Si interface induced by ballistic and ionizing radiations
journal, September 2012
- Lu, Fengyuan; Lang, Maik; Huang, Mengbing
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 286
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journal, October 2016
- Du, J. L.; Fang, Y.; Fu, E. G.
- Scientific Reports, Vol. 6, Issue 1
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journal, August 2019
- Misra, Debolina; Yadav, Satyesh K.
- Scientific Reports, Vol. 9, Issue 1