Roles of Vacancy/Interstitial Diffusion and Segregation in the Microchemistry at Grain Boundaries of Irradiated Fe-Cr-Ni alloys
Abstract
A detailed analysis of the diffusion fluxes near and at grain boundaries of irradiated Fe–Cr–Ni alloys, induced by preferential atom-vacancy and atom-interstitial coupling, is presented. The diffusion flux equations were based on the Perks model formulated through the linear theory of the thermodynamics of irreversible processes. The preferential atom-vacancy coupling was described by the mobility model, whereas the preferential atom-interstitial coupling was described by the interstitial binding model. The composition dependence of the thermodynamic factor was modeled using the CALPHAD approach. The calculated fluxes up to 10 dpa suggested the dominant diffusion mechanism for chromium and iron is via vacancy, while that for nickel can swing from the vacancy to the interstitial dominant mechanism. The diffusion flux in the vicinity of a grain boundary was found to be greatly modified by the segregation induced by irradiation, leading to the oscillatory behavior of alloy compositions in this region.
- Authors:
-
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Univ. of Wisconsin, Madison, WI (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Nuclear Energy (NE)
- OSTI Identifier:
- 1254787
- Alternate Identifier(s):
- OSTI ID: 1345245
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Nuclear Materials
- Additional Journal Information:
- Journal Volume: 473; Journal Issue: 2; Journal ID: ISSN 0022-3115
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Yang, Ying, Field, Kevin G., Allen, Todd R., and Busby, Jeremy T. Roles of Vacancy/Interstitial Diffusion and Segregation in the Microchemistry at Grain Boundaries of Irradiated Fe-Cr-Ni alloys. United States: N. p., 2016.
Web. doi:10.1016/j.jnucmat.2016.02.007.
Yang, Ying, Field, Kevin G., Allen, Todd R., & Busby, Jeremy T. Roles of Vacancy/Interstitial Diffusion and Segregation in the Microchemistry at Grain Boundaries of Irradiated Fe-Cr-Ni alloys. United States. https://doi.org/10.1016/j.jnucmat.2016.02.007
Yang, Ying, Field, Kevin G., Allen, Todd R., and Busby, Jeremy T. Tue .
"Roles of Vacancy/Interstitial Diffusion and Segregation in the Microchemistry at Grain Boundaries of Irradiated Fe-Cr-Ni alloys". United States. https://doi.org/10.1016/j.jnucmat.2016.02.007. https://www.osti.gov/servlets/purl/1254787.
@article{osti_1254787,
title = {Roles of Vacancy/Interstitial Diffusion and Segregation in the Microchemistry at Grain Boundaries of Irradiated Fe-Cr-Ni alloys},
author = {Yang, Ying and Field, Kevin G. and Allen, Todd R. and Busby, Jeremy T.},
abstractNote = {A detailed analysis of the diffusion fluxes near and at grain boundaries of irradiated Fe–Cr–Ni alloys, induced by preferential atom-vacancy and atom-interstitial coupling, is presented. The diffusion flux equations were based on the Perks model formulated through the linear theory of the thermodynamics of irreversible processes. The preferential atom-vacancy coupling was described by the mobility model, whereas the preferential atom-interstitial coupling was described by the interstitial binding model. The composition dependence of the thermodynamic factor was modeled using the CALPHAD approach. The calculated fluxes up to 10 dpa suggested the dominant diffusion mechanism for chromium and iron is via vacancy, while that for nickel can swing from the vacancy to the interstitial dominant mechanism. The diffusion flux in the vicinity of a grain boundary was found to be greatly modified by the segregation induced by irradiation, leading to the oscillatory behavior of alloy compositions in this region.},
doi = {10.1016/j.jnucmat.2016.02.007},
journal = {Journal of Nuclear Materials},
number = 2,
volume = 473,
place = {United States},
year = {Tue Feb 23 00:00:00 EST 2016},
month = {Tue Feb 23 00:00:00 EST 2016}
}
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Works referenced in this record:
Phase stability under irradiation
journal, January 1984
- Russell, K. C.
- Progress in Materials Science, Vol. 28, Issue 3-4
Radiation-induced degradation of stainless steel light water reactor internals
journal, July 2012
- Kenik, Edward A.; Busby, Jeremy T.
- Materials Science and Engineering: R: Reports, Vol. 73, Issue 7-8
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
Overview of microstructural evolution in neutron-irradiated austenitic stainless steels
journal, October 1993
- Maziasz, P. J.
- Journal of Nuclear Materials, Vol. 205
Structural materials for fission & fusion energy
journal, November 2009
- Zinkle, Steven J.; Busby, Jeremy T.
- Materials Today, Vol. 12, Issue 11
On the mechanism of radiation-induced segregation in austenitic Fe–Cr–Ni alloys
journal, May 1998
- Allen, T. R.; Busby, J. T.; Was, G. S.
- Journal of Nuclear Materials, Vol. 255, Issue 1
The effect of alloy composition on radiation-induced segregation in FeCrNi alloys
journal, April 1997
- Allen, T. R.; Was, G. S.; Kenik, E. A.
- Journal of Nuclear Materials, Vol. 244, Issue 3
Radiation-Induced Segregation and Grain Boundary Migration in Fe–Cr–Ni Model Alloy under Irradiation
journal, January 1993
- Takahashi, Heishichiro; Hashimoto, Naoyuki
- Materials Transactions, JIM, Vol. 34, Issue 11
Quantitative studies of irradiation-induced segregation and grain boundary migration in FeCrNi alloy
journal, August 1995
- Watanabe, S.; Sakaguchi, N.; Hashimoto, N.
- Journal of Nuclear Materials, Vol. 224, Issue 2
Dependence of radiation-induced segregation on dose, temperature and alloy composition in austenitic alloys
journal, August 1995
- Damcott, D. L.; Allen, T. R.; Was, G. S.
- Journal of Nuclear Materials, Vol. 225
Compositional changes in Fe-Cr-Ni alloys under proton bombardment at elevated temperatures
journal, July 1983
- Lam, N. Q.
- Journal of Nuclear Materials, Vol. 117
Radiation-induced segregation in binary and ternary alloys
journal, August 1979
- Okamoto, P. R.; Rehn, L. E.
- 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
Modeling of Radiation-Induced Segregation in Austenitic Fe-Cr-Ni Alloys
journal, January 1996
- Allen, T. R.; Was, G. S.
- MRS Proceedings, Vol. 439
A model for radiation-induced segregation in fcc binary alloys
journal, August 1995
- Hashimoto, Tsuneyuki; Isobe, Yusuke; Shigenaka, Naoto
- Journal of Nuclear Materials, Vol. 225
Segregation in irradiated alloys: The inverse Kirkendall effect and the effect of constitution on void swelling
journal, September 1978
- Marwick, A. D.
- Journal of Physics F: Metal Physics, Vol. 8, Issue 9
Contribution of interstitial migration to segregation in concentrated alloys
journal, May 1991
- Murphy, S. M.
- Journal of Nuclear Materials, Vol. 182
Ab initio-based diffusion theory and tracer diffusion in Ni–Cr and Ni–Fe alloys
journal, October 2010
- Tucker, J. D.; Najafabadi, R.; Allen, T. R.
- Journal of Nuclear Materials, Vol. 405, Issue 3
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
Drift forces on vacancies and interstitials in alloys with radiation-induced segregation
journal, February 1983
- Wolfer, W. G.
- Journal of Nuclear Materials, Vol. 114, Issue 2-3
Kinetic model for equilibrium and nonequilibrium segregation in concentrated alloys under irradiation
journal, August 1994
- Grandjean, Yves; Bellon, Pascal; Martin, Georges
- Physical Review B, Vol. 50, Issue 6
A phase field model for segregation and precipitation induced by irradiation in alloys
journal, March 2015
- Badillo, A.; Bellon, P.; Averback, R. S.
- Modelling and Simulation in Materials Science and Engineering, Vol. 23, Issue 3
A defect-based model of radiation-induced segregation to free surfaces in binary alloys
journal, August 2015
- Dubey, Santosh; El-Azab, Anter
- Computational Materials Science, Vol. 106
Coupled pair potential, thermochemical and phase diagram data for transition metal binary systems-VII
journal, January 1984
- Kaufman, Larry; Uhrenius, Bjorn; Birnie, Dunbar
- Calphad, Vol. 8, Issue 1
Defect and solute properties in dilute Fe-Cr-Ni austenitic alloys from first principles
journal, May 2012
- Klaver, T. P. C.; Hepburn, D. J.; Ackland, G. J.
- Physical Review B, Vol. 85, Issue 17
Phenomenological coefficients in a concentrated alloy for the dumbbell mechanism
journal, August 2006
- Barbe, V.; Nastar, M.
- Philosophical Magazine, Vol. 86, Issue 23
Defect sink characteristics of specific grain boundary types in 304 stainless steels under high dose neutron environments
journal, May 2015
- Field, Kevin G.; Yang, Ying; Allen, Todd R.
- Acta Materialia, Vol. 89
Correlation Factors for Diffusion in Nondilute Alloys
journal, August 1971
- Manning, John R.
- Physical Review B, Vol. 4, Issue 4
A note on Manning's relations for concentrated multicomponent alloys
journal, August 1986
- Lidiard, A. B.
- Acta Metallurgica, Vol. 34, Issue 8
A new analysis of diffusion in ternary alloys: application to F.C.C. Fe-Ni-Cr alloys
journal, October 2002
- Belova, I. V.; Murch, G. E.
- Acta Materialia, Vol. 50, Issue 18
Theoretical analysis of experimental tracer and interdiffusion data in Cu–Ni–Fe alloys
journal, October 2005
- Belova, I. V.; Murch, G. E.; Filipek, R.
- Acta Materialia, Vol. 53, Issue 17
Algebraic Representation of Thermodynamic Properties and the Classification of Solutions
journal, February 1948
- Redlich, Otto; Kister, A. T.
- Industrial & Engineering Chemistry, Vol. 40, Issue 2
Enthalpies de formation des alliages liquides bismuth-étain-gallium à 723 k. Choix d’une représentation analytique des grandeurs d’excès intégrales et partielles de mélange
journal, January 1975
- Muggianu, Yves-Marie; Gambino, Michèle; Bros, Jean-Pierre
- Journal de Chimie Physique, Vol. 72
Thermodynamic modeling and kinetics simulation of precipitate phases in AISI 316 stainless steels
journal, May 2014
- Yang, Y.; Busby, J. T.
- Journal of Nuclear Materials, Vol. 448, Issue 1-3
Self-diffusion in austenitic Fe-Cr-Ni alloys
journal, March 1980
- Rothman, S. J.; Nowicki, L. J.; Murch, G. E.
- Journal of Physics F: Metal Physics, Vol. 10, Issue 3
Diffusion in FeNiCr alloys with an F.C.C. lattice
journal, June 1985
- Million, B.; Růžičková, J.; Vřešťál, J.
- Materials Science and Engineering, Vol. 72, Issue 1
Diffusion of Nickel in Binary Alloys of Iron with Nickel, Manganese, and Chromium
journal, January 1967
- Hancock, G. F.; Leak, G. M.
- Metal Science Journal, Vol. 1, Issue 1
Ternary Diffusion in FCC Phase of Fe–Ni–Cr Alloy System at 1223 K
journal, January 1991
- Kale, G. B.; Bhanumurthy, K.; Khera, S. K.
- Materials Transactions, JIM, Vol. 32, Issue 11
PANDAT software with PanEngine, PanOptimizer and PanPrecipitation for multi-component phase diagram calculation and materials property simulation
journal, June 2009
- Cao, W.; Chen, S. -L.; Zhang, F.
- Calphad, Vol. 33, Issue 2
Tracer diffusion of63Ni in Fe-17 wt pct Cr-12 wt pct Ni
journal, July 1973
- Perkins, R. A.
- Metallurgical Transactions, Vol. 4, Issue 7
Tracer diffusion of59Fe and51Cr in Fe-17 Wt Pet Cr-12 Wt Pet Ni austenitic alloy
journal, November 1973
- Perkins, R. A.; Padgett, R. A.; Tunali, N. K.
- Metallurgical Transactions, Vol. 4, Issue 11
Composition dependence of defect properties in electron-irradiated Fe-Cr-Ni solid solutions
journal, April 1984
- Dimitrov, C.; Dimitrov, O.
- Journal of Physics F: Metal Physics, Vol. 14, Issue 4
Influence of nickel concentration on point defect migration in high-nickel Fe-Cr-Ni alloys
journal, March 1988
- Dimitrov, C.; Dimitrov, O.
- Journal of Nuclear Materials, Vol. 152, Issue 1
Microstructural Evolution of Type 304 and 316 Stainless Steels Under Neutron Irradiation at LWR Relevant Conditions
journal, December 2015
- Tan, L.; Stoller, R. E.; Field, K. G.
- JOM, Vol. 68, Issue 2
Modeling radiation induced segregation in Ni–Cr model alloys from first principles
journal, June 2012
- Barnard, L.; Tucker, J. D.; Choudhury, S.
- Journal of Nuclear Materials, Vol. 425, Issue 1-3
Concentration dependence of the excess specific heat capacity and of the thermodynamic factor for diffusion in f.c.c. and b.c.c. ordering systems
journal, July 1998
- Schön, C. G.; Inden, G.
- Acta Materialia, Vol. 46, Issue 12
The thermodynamic factor in interdiffusion: A strong effect in amorphous Ni-Zr
journal, February 1995
- Karpe, N.; Krog, J. P.; Bøttiger, J.
- Acta Metallurgica et Materialia, Vol. 43, Issue 2
Current understanding of radiation-induced degradation in light water reactor structural materials
journal, March 2013
- Fukuya, Koji
- Journal of Nuclear Science and Technology, Vol. 50, Issue 3
Ab initio description of monovacancies in paramagnetic austenitic Fe-Cr-Ni alloys
journal, May 2012
- Delczeg, L.; Johansson, B.; Vitos, L.
- Physical Review B, Vol. 85, Issue 17
Works referencing / citing this record:
Vacancy and interstitial atom evolution with the separation of the nanoscale phase in Fe–Cr alloys: phase-field simulations
journal, January 2020
- Yan, Zhengwei; Shi, Shujing; Li, Yongsheng
- Physical Chemistry Chemical Physics, Vol. 22, Issue 6