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Title: Solute redistribution and phase stability at FeCr/TiO 2–x interfaces under ion irradiation

Abstract

Cr diffusion in trilayer thin films of 100 nm Fe–18Cr/125 nm TiO 2–x/100 nm Fe–18Cr deposited on MgO substrates at 500 °C was studied by either annealing at 500 °C or Ni 3+ 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 TiO 2 layer, with negligible segregation to the FeCr/TiO 2–x interface itself, was observed under both annealing and irradiation. Cr diffusion into TiO 2–x was enhanced in ion-irradiated samples as compared to annealed. Irradiation-induced voids and amorphization of TiO 2–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 TiO 2. Furthermore, the implications of these results on the irradiation stability of oxide-dispersed ferritic alloys are discussed.

Authors:
 [1];  [2];  [2];  [2];  [2];  [2];  [2];  [2];  [3];  [2];  [2]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States); New Mexico State Univ., Las Cruces, NM (United States)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  3. New Mexico State Univ., Las Cruces, NM (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
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:
Journal Article: 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. 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., and Li, N. Thu . "Solute redistribution and phase stability at FeCr/TiO2–x interfaces under ion irradiation". United States. doi: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}
}

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