Effect of water chemistry on the composition of oxides formed on stainless steel surfaces in light water reactors
- Authors:
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1560268
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Journal of Nuclear Materials
- Additional Journal Information:
- Journal Name: Journal of Nuclear Materials Journal Volume: 526 Journal Issue: C; Journal ID: ISSN 0022-3115
- Publisher:
- Elsevier
- Country of Publication:
- Netherlands
- Language:
- English
Citation Formats
Rák, Zs., and Brenner, D. W. Effect of water chemistry on the composition of oxides formed on stainless steel surfaces in light water reactors. Netherlands: N. p., 2019.
Web. doi:10.1016/j.jnucmat.2019.151773.
Rák, Zs., & Brenner, D. W. Effect of water chemistry on the composition of oxides formed on stainless steel surfaces in light water reactors. Netherlands. https://doi.org/10.1016/j.jnucmat.2019.151773
Rák, Zs., and Brenner, D. W. Sun .
"Effect of water chemistry on the composition of oxides formed on stainless steel surfaces in light water reactors". Netherlands. https://doi.org/10.1016/j.jnucmat.2019.151773.
@article{osti_1560268,
title = {Effect of water chemistry on the composition of oxides formed on stainless steel surfaces in light water reactors},
author = {Rák, Zs. and Brenner, D. W.},
abstractNote = {},
doi = {10.1016/j.jnucmat.2019.151773},
journal = {Journal of Nuclear Materials},
number = C,
volume = 526,
place = {Netherlands},
year = {2019},
month = {12}
}
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1016/j.jnucmat.2019.151773
https://doi.org/10.1016/j.jnucmat.2019.151773
Other availability
Search WorldCat to find libraries that may hold this journal
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Calculated Stability and Structure of Nickel Ferrite Crystal Surfaces in Hydrothermal Environments
journal, March 2014
- O’Brien, Christopher J.; Rák, Zs.; Brenner, Donald W.
- The Journal of Physical Chemistry C, Vol. 118, Issue 10
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
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Mixing and non-stoichiometry in Fe–Ni–Cr–Zn–O spinel compounds: density functional theory calculations
journal, January 2013
- Andersson, David A.; Stanek, Christopher R.
- Physical Chemistry Chemical Physics, Vol. 15, Issue 37
XPS and STM study of the growth and structure of passive films in high temperature water on a nickel-base alloy
journal, September 2004
- Machet, A.; Galtayries, A.; Zanna, S.
- Electrochimica Acta, Vol. 49, Issue 22-23
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
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
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
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998
- Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
- Physical Review B, Vol. 57, Issue 3, p. 1505-1509
Modeling the iron oxides and oxyhydroxides for the prediction of environmentally sensitive phase transformations
journal, March 2011
- Guo, Haibo; Barnard, Amanda S.
- Physical Review B, Vol. 83, Issue 9
Anisotropic ion diffusion in α-Cr 2 O 3 : an atomistic simulation study
journal, January 2017
- Cao, Penghui; Wells, Daniel; Short, Michael Philip
- Physical Chemistry Chemical Physics, Vol. 19, Issue 21
Theoretical assessment of bonaccordite formation in pressurized water reactors
journal, June 2016
- Rak, Zs; O'Brien, C. J.; Shin, D.
- Journal of Nuclear Materials, Vol. 474
Band theory and Mott insulators: Hubbard U instead of Stoner I
journal, July 1991
- Anisimov, Vladimir I.; Zaanen, Jan; Andersen, Ole K.
- Physical Review B, Vol. 44, Issue 3, p. 943-954
SUPCRT92: A software package for calculating the standard molal thermodynamic properties of minerals, gases, aqueous species, and reactions from 1 to 5000 bar and 0 to 1000°C
journal, August 1992
- Johnson, James W.; Oelkers, Eric H.; Helgeson, Harold C.
- Computers & Geosciences, Vol. 18, Issue 7
A model of chemistry and thermal hydraulics in PWR fuel crud deposits
journal, July 2006
- Henshaw, Jim; McGurk, John C.; Sims, Howard E.
- Journal of Nuclear Materials, Vol. 353, Issue 1-2
Formation enthalpies by mixing GGA and GGA calculations
journal, July 2011
- Jain, Anubhav; Hautier, Geoffroy; Ong, Shyue Ping
- Physical Review B, Vol. 84, Issue 4
Ab initiomolecular dynamics for liquid metals
journal, January 1993
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 47, Issue 1, p. 558-561
First-principles investigation of diffusion and defect properties of Fe and Ni in Cr 2 O 3
journal, April 2018
- Rak, Zs.; Brenner, D. W.
- Journal of Applied Physics, Vol. 123, Issue 15
Defect formation in aqueous environment: Theoretical assessment of boron incorporation in nickel ferrite under conditions of an operating pressurized-water nuclear reactor (PWR)
journal, June 2015
- Rák, Zs.; Bucholz, E. W.; Brenner, D. W.
- Journal of Nuclear Materials, Vol. 461
Distribution of Cations in Spinels
journal, April 1959
- Miller, Arthur
- Journal of Applied Physics, Vol. 30, Issue 4
First principles calculations predict stable 50 nm nickel ferrite particles in PWR coolant
journal, November 2014
- O’Brien, C. J.; Rák, Zs.; Bucholz, E. W.
- Journal of Nuclear Materials, Vol. 454, Issue 1-3
Free energies of (Co, Fe, Ni, Zn)Fe 2 O 4 spinels and oxides in water at high temperatures and pressure from density functional theory: results for stoichiometric NiO and NiFe 2 O 4 surfaces
journal, October 2013
- O’Brien, C. J.; Rák, Z.; Brenner, D. W.
- Journal of Physics: Condensed Matter, Vol. 25, Issue 44
XPS study of oxides formed on nickel-base alloys in high-temperature and high-pressure water
journal, January 2002
- Machet, A.; Galtayries, A.; Marcus, P.
- Surface and Interface Analysis, Vol. 34, Issue 1