Solute redistribution and phase stability at FeCr/TiO2–x interfaces under ion irradiation
Abstract
Cr diffusion in trilayer thin films of 100 nm Fe–18Cr/125 nm TiO2–x/100 nm Fe–18Cr deposited on MgO substrates at 500 °C was studied by either annealing at 500 °C or Ni3+ ion irradiation at 500 °C. Microchemistry and microstructure evolution at the metal/oxide interfaces were investigated using (high-resolution) transmission electron microscopy, energy-dispersive X-ray spectroscopy and electron energy loss spectroscopy. Diffusion of Cr into the O-deficient TiO2 layer, with negligible segregation to the FeCr/TiO2–x interface itself, was observed under both annealing and irradiation. Cr diffusion into TiO2–x was enhanced in ion-irradiated samples as compared to annealed. Irradiation-induced voids and amorphization of TiO2–x was also observed. The experimental results are rationalized using first-principles calculations that suggest an energetic preference for substituting Ti with Cr in sub-stoichiometric TiO2. Furthermore, the implications of these results on the irradiation stability of oxide-dispersed ferritic alloys are discussed.
- 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)
- 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:
- 1248639
- Alternate Identifier(s):
- OSTI ID: 1255334
- Report Number(s):
- LA-UR-15-20777
Journal ID: ISSN 1359-6454; PII: S1359645415000841
- Grant/Contract Number:
- AC52-06NA25396
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Acta Materialia
- Additional Journal Information:
- Journal Volume: 89; Journal Issue: C; Journal ID: ISSN 1359-6454
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; radiation-induced solute redistribution (RISR); metal/oxide interface; density functional theory (DFT)
Citation Formats
Xu, Y., Aguiar, J. A., Yadav, S. K., Anderoglu, O., Baldwin, J. K., Wang, Y. Q., Valdez, James A., Misra, A., Luo, H. M., Uberuaga, B. P., and Li, N. Solute redistribution and phase stability at FeCr/TiO2–x interfaces under ion irradiation. United States: N. p., 2015.
Web. doi:10.1016/j.actamat.2015.01.071.
Xu, Y., Aguiar, J. A., Yadav, S. K., Anderoglu, O., Baldwin, J. K., Wang, Y. Q., Valdez, James A., Misra, A., Luo, H. M., Uberuaga, B. P., & Li, N. Solute redistribution and phase stability at FeCr/TiO2–x interfaces under ion irradiation. United States. https://doi.org/10.1016/j.actamat.2015.01.071
Xu, Y., Aguiar, J. A., Yadav, S. K., Anderoglu, O., Baldwin, J. K., Wang, Y. Q., Valdez, James A., Misra, A., Luo, H. M., Uberuaga, B. P., and Li, N. Thu .
"Solute redistribution and phase stability at FeCr/TiO2–x interfaces under ion irradiation". United States. https://doi.org/10.1016/j.actamat.2015.01.071. https://www.osti.gov/servlets/purl/1248639.
@article{osti_1248639,
title = {Solute redistribution and phase stability at FeCr/TiO2–x interfaces under ion irradiation},
author = {Xu, Y. and Aguiar, J. A. and Yadav, S. K. and Anderoglu, O. and Baldwin, J. K. and Wang, Y. Q. and Valdez, James A. and Misra, A. and Luo, H. M. and Uberuaga, B. P. and Li, N.},
abstractNote = {Cr diffusion in trilayer thin films of 100 nm Fe–18Cr/125 nm TiO2–x/100 nm Fe–18Cr deposited on MgO substrates at 500 °C was studied by either annealing at 500 °C or Ni3+ ion irradiation at 500 °C. Microchemistry and microstructure evolution at the metal/oxide interfaces were investigated using (high-resolution) transmission electron microscopy, energy-dispersive X-ray spectroscopy and electron energy loss spectroscopy. Diffusion of Cr into the O-deficient TiO2 layer, with negligible segregation to the FeCr/TiO2–x interface itself, was observed under both annealing and irradiation. Cr diffusion into TiO2–x was enhanced in ion-irradiated samples as compared to annealed. Irradiation-induced voids and amorphization of TiO2–x was also observed. The experimental results are rationalized using first-principles calculations that suggest an energetic preference for substituting Ti with Cr in sub-stoichiometric TiO2. Furthermore, the implications of these results on the irradiation stability of oxide-dispersed ferritic alloys are discussed.},
doi = {10.1016/j.actamat.2015.01.071},
journal = {Acta Materialia},
number = C,
volume = 89,
place = {United States},
year = {Thu Feb 26 00:00:00 EST 2015},
month = {Thu Feb 26 00:00:00 EST 2015}
}
Web of Science
Works referenced in this record:
Radiation-Induced Solute Segregation in Alloys
book, January 2008
- Ardell, A. J.
- NATO Science for Peace and Security Series B: Physics and Biophysics
A theory of radiation-induced segregation in concentrated alloys
journal, August 1979
- Wiedersich, H.; Okamoto, P. R.; Lam, N. Q.
- Journal of Nuclear Materials, Vol. 83, Issue 1
Modeling radiation-induced segregation in austenitic Fe–Cr–Ni alloys
journal, June 1998
- Allen, T. R.; Was, G. S.
- Acta Materialia, Vol. 46, Issue 10
Irradiation-induced segregation in multi-component alloys
journal, June 1983
- Chen, I-Wei
- Journal of Nuclear Materials, Vol. 116, Issue 2-3
Dependence on grain boundary structure of radiation induced segregation in a 9wt.% Cr model ferritic/martensitic steel
journal, April 2013
- Field, Kevin G.; Barnard, Leland M.; Parish, Chad M.
- Journal of Nuclear Materials, Vol. 435, 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
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
Irradiation-induced grain boundary chromium microchemistry in high alloy ferritic steels
journal, May 2008
- Lu, Z.; Faulkner, R. G.; Was, G.
- Scripta Materialia, Vol. 58, Issue 10
Formation and stability of radiation-induced phases in neutron-irradiated austenitic and ferritic steels
journal, December 1989
- Maziasz, P. J.
- Journal of Nuclear Materials, Vol. 169
Isolating the effect of radiation-induced segregation in irradiation-assisted stress corrosion cracking of austenitic stainless steels
journal, April 2002
- Busby, J. T.; Was, G. S.; Kenik, E. A.
- Journal of Nuclear Materials, Vol. 302, Issue 1
He+ ion irradiation response of Fe–TiO2 multilayers
journal, April 2013
- Anderoglu, O.; Zhou, M. J.; Zhang, J.
- Journal of Nuclear Materials, Vol. 435, Issue 1-3
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
Oxygen induced surface segregation of Fe in Fe–18Cr–3Mo(100)
journal, July 1987
- Polak, M.; Schiffmann, B.
- Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 5, Issue 4
Stability of nano-oxides upon heavy ion irradiation of an ODS material
journal, October 2011
- Ribis, J.; Lescoat, M. -L.; de Carlan, Y.
- Journal of Nuclear Materials, Vol. 417, Issue 1-3
Microstructural development of a heavily neutron-irradiated ODS ferritic steel (MA957) at elevated temperature
journal, August 2007
- Yamashita, S.; Akasaka, N.; Ukai, S.
- Journal of Nuclear Materials, Vol. 367-370
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
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
Atomic structure of nanoclusters in oxide-dispersion-strengthened steels
journal, October 2011
- Hirata, A.; Fujita, T.; Wen, Y. R.
- Nature Materials, Vol. 10, Issue 12, p. 922-926
The formation and evolution of oxide particles in oxide-dispersion-strengthened ferritic steels during processing
journal, April 2013
- Williams, Ceri A.; Unifantowicz, Paulina; Baluc, Nadine
- Acta Materialia, Vol. 61, Issue 6
The Structure of Nanoscale Precipitates and Precipitate Interfaces in an Oxide Dispersion Strengthened Steel
journal, July 2012
- Ciston, J.; Wu, Y.; Odette, G.
- Microscopy and Microanalysis, Vol. 18, Issue S2
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
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
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
Effect of additional minor element on radiation-induced grain boundary segregation in austenitic stainless steel under electron irradiation
journal, June 1999
- Sakaguchi, N.; Watanabe, S.; Takahashi, H.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 153, Issue 1-4
Interface-enhanced defect absorption between epitaxial anatase TiO2 film and single crystal SrTiO3
journal, November 2011
- Zhuo, M. J.; Fu, E. G.; Yan, L.
- Scripta Materialia, Vol. 65, Issue 9
Influence of interface sink strength on the reduction of radiation-induced defect concentrations and fluxes in materials with large interface area per unit volume
journal, September 2011
- Demkowicz, M. J.; Hoagland, R. G.; Uberuaga, B. P.
- Physical Review B, Vol. 84, Issue 10
Ab initiomolecular dynamics for liquid metals
journal, January 1993
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 47, Issue 1, p. 558-561
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 49, Issue 20, p. 14251-14269
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
Structural-electronic relationships in inorganic solids: powder neutron diffraction studies of the rutile and anatase polymorphs of titanium dioxide at 15 and 295 K
journal, June 1987
- Burdett, Jeremy K.; Hughbanks, Timothy; Miller, Gordon J.
- Journal of the American Chemical Society, Vol. 109, Issue 12
Deposition of TiO2 thin films using RF magnetron sputtering method and study of their surface characteristics
journal, March 2005
- Heo, Cheol Ho; Lee, Soon-Bo; Boo, Jin-Hyo
- Thin Solid Films, Vol. 475, Issue 1-2
Phase development in sputter deposited titanium dioxide
journal, May 1996
- Wiggins, M. D.; Nelson, M. C.; Aita, C. R.
- Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 14, Issue 3
Linking Interfacial Step Structure and Chemistry with Locally Enhanced Radiation-Induced Amorphization at Oxide Heterointerfaces
journal, April 2014
- Aguiar, Jeffery A.; Dholabhai, Pratik P.; Bi, Zhenxing
- Advanced Materials Interfaces, Vol. 1, Issue 4
Ab-initio based modeling of diffusion in dilute bcc Fe–Ni and Fe–Cr alloys and implications for radiation induced segregation
journal, April 2011
- Choudhury, S.; Barnard, L.; Tucker, J. D.
- Journal of Nuclear Materials, Vol. 411, Issue 1-3
Tracer impurity diffusion in single-crystal rutile (TiO2−x)
journal, January 1985
- Sasaki, Jun; Peterson, N. L.; Hoshino, K.
- Journal of Physics and Chemistry of Solids, Vol. 46, Issue 11
Multi-timescale investigation of radiation damage near TiO 2 rutile grain boundaries
journal, April 2012
- Bai, Xian-Ming; Uberuaga, Blas P.
- Philosophical Magazine, Vol. 92, Issue 12
Nanosized Rutile (TiO 2 ) Thin Film upon Ion Irradiation and Thermal Annealing
journal, October 2011
- Zhang, Jiaming; Lian, Jie; Namavar, Fereydoon
- The Journal of Physical Chemistry C, Vol. 115, Issue 46
Phase stability under irradiation
journal, January 1984
- Russell, K. C.
- Progress in Materials Science, Vol. 28, Issue 3-4
Characterization of irradiation damage distribution near TiO 2 /SrTiO 3 interfaces using coherent acoustic phonon interferometry
journal, June 2012
- Yarotski, Dmitry; Fu, Engang; Yan, Li
- Applied Physics Letters, Vol. 100, Issue 25
Ion irradiation of the TiO2 polymorphs and cassiterite
journal, December 2009
- Lumpkin, G. R.; Blackford, M. G.; Smith, K. L.
- American Mineralogist, Vol. 95, Issue 1
Ion beam radiation damage effects in rutile (TiO2)
journal, May 1998
- Hartmann, T.; Wang, L. M.; Weber, W. J.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 141, Issue 1-4
Chromium incorporation into TiO2 at high pressure
journal, June 2012
- Escudero, Alberto; Langenhorst, Falko
- Journal of Solid State Chemistry, Vol. 190
Works referencing / citing this record:
Alternative Fabrication Routes toward Oxide-Dispersion-Strengthened Steels and Model Alloys
journal, July 2016
- Bergner, Frank; Hilger, Isabell; Virta, Jouko
- Metallurgical and Materials Transactions A, Vol. 47, Issue 11