First principles assessment of helium trapping in Y2TiO5 in nano-featured ferritic alloys
Abstract
Nano-scale Y2Ti2O7 and Y2TiO5 oxides are the major features that provide high strength and irradiation tolerance in nano-structured ferritic alloys. Here, we employ density functional theory to study helium trapping in Y2TiO5. The results suggest that helium is more deeply trapped in Y2TiO5 compared to Y2Ti2O7. Helium occupies open channels in Y2TiO5, where it weakly chemically interacts with neighboring oxygen anions, and results in less volume expansion compared to Y2Ti2O7, reducing strains in the iron matrix. The corresponding helium mobility in these channels is very high. While its ultimate fate is to form oxide/matrix interface bubbles, transient deep trapping of helium in oxides plays a major role in the ability of NFA to manage helium distribution.
- Authors:
- Publication Date:
- Sponsoring Org.:
- USDOE Office of Science (SC), Fusion Energy Sciences (FES)
- OSTI Identifier:
- 1420719
- Grant/Contract Number:
- FG03-94ER54275
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Journal of Applied Physics
- Additional Journal Information:
- Journal Name: Journal of Applied Physics Journal Volume: 116 Journal Issue: 14; Journal ID: ISSN 0021-8979
- Publisher:
- American Institute of Physics
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Jin, Yanan, Jiang, Yong, Yang, Litong, Lan, Guoqiang, Robert Odette, G., Yamamoto, Takuya, Shang, Jiacheng, and Dang, Ying. First principles assessment of helium trapping in Y2TiO5 in nano-featured ferritic alloys. United States: N. p., 2014.
Web. doi:10.1063/1.4897503.
Jin, Yanan, Jiang, Yong, Yang, Litong, Lan, Guoqiang, Robert Odette, G., Yamamoto, Takuya, Shang, Jiacheng, & Dang, Ying. First principles assessment of helium trapping in Y2TiO5 in nano-featured ferritic alloys. United States. https://doi.org/10.1063/1.4897503
Jin, Yanan, Jiang, Yong, Yang, Litong, Lan, Guoqiang, Robert Odette, G., Yamamoto, Takuya, Shang, Jiacheng, and Dang, Ying. Wed .
"First principles assessment of helium trapping in Y2TiO5 in nano-featured ferritic alloys". United States. https://doi.org/10.1063/1.4897503.
@article{osti_1420719,
title = {First principles assessment of helium trapping in Y2TiO5 in nano-featured ferritic alloys},
author = {Jin, Yanan and Jiang, Yong and Yang, Litong and Lan, Guoqiang and Robert Odette, G. and Yamamoto, Takuya and Shang, Jiacheng and Dang, Ying},
abstractNote = {Nano-scale Y2Ti2O7 and Y2TiO5 oxides are the major features that provide high strength and irradiation tolerance in nano-structured ferritic alloys. Here, we employ density functional theory to study helium trapping in Y2TiO5. The results suggest that helium is more deeply trapped in Y2TiO5 compared to Y2Ti2O7. Helium occupies open channels in Y2TiO5, where it weakly chemically interacts with neighboring oxygen anions, and results in less volume expansion compared to Y2Ti2O7, reducing strains in the iron matrix. The corresponding helium mobility in these channels is very high. While its ultimate fate is to form oxide/matrix interface bubbles, transient deep trapping of helium in oxides plays a major role in the ability of NFA to manage helium distribution.},
doi = {10.1063/1.4897503},
journal = {Journal of Applied Physics},
number = 14,
volume = 116,
place = {United States},
year = {Wed Oct 08 00:00:00 EDT 2014},
month = {Wed Oct 08 00:00:00 EDT 2014}
}
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Works referenced in this record:
The transport and fate of helium in nanostructured ferritic alloys at fusion relevant He/dpa ratios and dpa rates
journal, August 2007
- Yamamoto, T.; Odette, G. R.; Miao, P.
- Journal of Nuclear Materials, Vol. 367-370
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
Thermal stability of nano-structured ferritic alloy
journal, June 2008
- Miao, P.; Odette, G. R.; Yamamoto, T.
- Journal of Nuclear Materials, Vol. 377, Issue 1
Formation of nanoscale complex oxide particles in mechanically alloyed ferritic steel
journal, July 2004
- Yamashita *, S.; Ohtsuka, S.; Akasaka, N.
- Philosophical Magazine Letters, Vol. 84, Issue 8
Phase Relations in the System Y2O3-TiO2
journal, March 1976
- Mizutani, Nobuyasu; Tajima, Yo; Kato, Masanori
- Journal of the American Ceramic Society, Vol. 59, Issue 3-4
Irradiation-tolerant nanostructured ferritic alloys: Transforming helium from a liability to an asset
journal, September 2010
- Odette, G. R.; Hoelzer, D. T.
- JOM, Vol. 62, Issue 9
A simplified method for calculating the debye temperature from elastic constants
journal, July 1963
- Anderson, Orson L.
- Journal of Physics and Chemistry of Solids, Vol. 24, Issue 7
The development and stability of Y–Ti–O nanoclusters in mechanically alloyed Fe–Cr based ferritic alloys
journal, August 2004
- Alinger, M. J.; Odette, G. R.; Hoelzer, D. T.
- Journal of Nuclear Materials, Vol. 329-333
Nanometer scale precipitation in ferritic MA/ODS alloy MA957
journal, August 2004
- Miller, M. K.; Hoelzer, D. T.; Kenik, E. A.
- Journal of Nuclear Materials, Vol. 329-333
Structural and electronic effects of helium interstitials in Y2Ti2O7: A first-principles study
journal, September 2014
- Danielson, Thomas; Hin, Celine
- Journal of Nuclear Materials, Vol. 452, Issue 1-3
Comparative ab initio study of electronic, optical and chemical bonding properties of pyrochlores, Y2B2O7 (B=Ti4+, Sn4+)
journal, December 2010
- Srivastava, A. M.; Brik, M. G.
- Journal of Luminescence, Vol. 130, Issue 12
Ab initio study of helium in : Dissolution, migration, and clustering with vacancies
journal, August 2005
- Fu, Chu-Chun; Willaime, F.
- Physical Review B, Vol. 72, Issue 6
Mechanical properties of Y2Ti2O7
journal, March 2011
- He, L. F.; Shirahata, J.; Nakayama, T.
- Scripta Materialia, Vol. 64, Issue 6
Trapping helium in Y 2 Ti 2 O 7 compared to in matrix iron: A first principles study
journal, April 2014
- Yang, Litong; Jiang, Yong; Robert Odette, G.
- Journal of Applied Physics, Vol. 115, Issue 14
Energy-filtered TEM imaging and EELS study of ODS particles and Argon-filled cavities in ferritic–martensitic steels
journal, January 2005
- Klimiankou, M.; Lindau, R.; Möslang, A.
- Micron, Vol. 36, Issue 1
Prediction of structural, electronic and elastic properties of Y2Ti2O7 and Y2TiO5
journal, March 2010
- Jiang, Yong; Smith, John R.; Robert Odette, G.
- Acta Materialia, Vol. 58, Issue 5
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Atom probe tomography of nanoscale particles in ODS ferritic alloys
journal, July 2003
- Miller, M. K.; Kenik, E. A.; Russell, K. F.
- Materials Science and Engineering: A, Vol. 353, Issue 1-2
Properties of helium defects in bcc and fcc metals investigated with density functional theory
journal, August 2009
- Zu, X. T.; Yang, L.; Gao, F.
- Physical Review B, Vol. 80, Issue 5
The Elastic Behaviour of a Crystalline Aggregate
journal, May 1952
- Hill, R.
- Proceedings of the Physical Society. Section A, Vol. 65, Issue 5