Simulated Microstructural and Compositional Evolution of U-Pu-Zr Alloys Using the Potts-Phase Field Modeling Technique

Cox, Jordan J.; Homer, Eric R.; Tikare, Veena; Kurata, Masaki

doi:10.1007/s11661-018-4922-7

Simulated Microstructural and Compositional Evolution of U-Pu-Zr Alloys Using the Potts-Phase Field Modeling Technique

Journal Article · Fri Sep 28 00:00:00 EDT 2018 · Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science

DOI:https://doi.org/10.1007/s11661-018-4922-7· OSTI ID:1485449

Cox, Jordan J. ^[1]; Homer, Eric R. ^[1]; Tikare, Veena ^[2]; Kurata, Masaki ^[3]

Brigham Young Univ., Provo, UT (United States)
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Japan Atomic Energy Agency (JAEA), Naka-gun (Japan)

U-Pu-Zr alloys are considered ideal metallic fuels for Experimental Breeder Reactors because of their superior material properties and potential for increased burnup performance. However, significant constituent redistribution has been observed in these alloys when irradiated, or subject to a thermal gradient, resulting in inhomogeneity of both composition and phase, which, in turn, alters the fuel performance. The hybrid Potts-phase field method is reformulated for ternary alloys in a thermal gradient and utilized to simulate and predict constituent redistribution and phase transformations in the U-Pu-Zr nuclear fuel system. Simulated evolution profiles for the U-16Pu-23Zr (at%) alloy show concentric zones that are compared with published experimental results; discrepancies in zone size are attributed to thermal profile differences and assumptions related to the diffusivity values used. Twenty-one alloys, over the entire ternary compositional spectrum, are also simulated to investigate the effects of alloy composition on constituent redistribution and phase transformations. The U-40Pu-20Zr (at%) alloy shows the most potential for compositional uniformity and phase homogeneity, throughout a thermal gradient, while remaining in the compositional range of feasible alloys.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1485449

Report Number(s):: SAND2018--11922J; 668732

Journal Information:: Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science, Journal Name: Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science Journal Issue: 12 Vol. 49; ISSN 1073-5623

Publisher:: ASM InternationalCopyright Statement

Country of Publication:: United States

Language:: English

References (43)

Kinetics of Materials Balluffi, Robert W.; Allen, Samuel M.; Carter, W. Craig https://doi.org/10.1002/0471749311	book	September 2005
Experimental studies of U-Pu-Zr fast reactor fuel pins in the experimental breeder reactor-ll Pahl, R. G.; Porter, D. L.; Lahm, C. E. Metallurgical Transactions A, Vol. 21, Issue 7 https://doi.org/10.1007/BF02647233	journal	July 1990
Fuel constituent redistribution during the early stages of U-Pu-Zr irradiation Porter, D. L.; Lahm, C. E.; Pahl, R. G. Metallurgical Transactions A, Vol. 21, Issue 7 https://doi.org/10.1007/BF02647234	journal	July 1990
Swelling behavior of U-Pu-Zr fuel Hofman, Gerard L.; Pahl, R. G.; Lahm, C. E. Metallurgical Transactions A, Vol. 21, Issue 2 https://doi.org/10.1007/BF02671924	journal	February 1990
Advances in Metallic Nuclear Fuel Seidel, B. R.; Walters, L. C.; Chang, Y. I. JOM, Vol. 39, Issue 4 https://doi.org/10.1007/BF03258852	journal	April 1987
Irradiation behavior of metallic fast reactor fuels Pahl, R. G.; Porter, D. L.; Crawford, D. C. Journal of Nuclear Materials, Vol. 188 https://doi.org/10.1016/0022-3115(92)90447-S	journal	June 1992
Status of LMR fuel development in the United States of America Leggett, R. D.; Walters, L. C. Journal of Nuclear Materials, Vol. 204 https://doi.org/10.1016/0022-3115(93)90195-5	journal	September 1993
Demixing of U-Zr alloys under a thermal gradient Ogawa, T.; Iwai, T.; Kurata, M. Journal of the Less Common Metals, Vol. 175, Issue 1 https://doi.org/10.1016/0022-5088(91)90349-9	journal	September 1991
Metallic fast reactor fuels Hofman, G. L.; Walters, L. C.; Bauer, T. H. Progress in Nuclear Energy, Vol. 31, Issue 1-2 https://doi.org/10.1016/0149-1970(96)00005-4	journal	January 1997
Metal Fuel Ogata, T. Comprehensive Nuclear Materials https://doi.org/10.1016/B978-0-08-056033-5.00049-5	book	January 2012
Thirty years of fuels and materials information from EBR-II Walters, L. C. Journal of Nuclear Materials, Vol. 270, Issue 1-2 https://doi.org/10.1016/S0022-3115(98)00760-0	journal	April 1999
Analysis of constituent redistribution in the γ (bcc) U–Pu–Zr alloys under gradients of temperature and concentrations Sohn, Y. H.; Dayananda, M. A.; Hofman, G. L. Journal of Nuclear Materials, Vol. 279, Issue 2-3 https://doi.org/10.1016/S0022-3115(99)00290-1	journal	June 2000
Phase-field modeling of temperature gradient driven pore migration coupling with thermal conduction Zhang, Liangzhe; Tonks, Michael R.; Millett, Paul C. Computational Materials Science, Vol. 56 https://doi.org/10.1016/j.commatsci.2012.01.002	journal	April 2012
Hybrid Potts-phase field model for coupled microstructural–compositional evolution Homer, Eric R.; Tikare, Veena; Holm, Elizabeth A. Computational Materials Science, Vol. 69 https://doi.org/10.1016/j.commatsci.2012.11.056	journal	March 2013
Small modular reactors: Simpler, safer, cheaper? Vujić, Jasmina; Bergmann, Ryan M.; Škoda, Radek Energy, Vol. 45, Issue 1 https://doi.org/10.1016/j.energy.2012.01.078	journal	September 2012
Constituent redistribution in U–Pu–Zr fuel during irradiation Kim, Yeon Soo; Hofman, G. L.; Hayes, S. L. Journal of Nuclear Materials, Vol. 327, Issue 1 https://doi.org/10.1016/j.jnucmat.2004.01.012	journal	April 2004
Modeling of constituent redistribution in U–Pu–Zr metallic fuel Kim, Yeon Soo; Hayes, S. L.; Hofman, G. L. Journal of Nuclear Materials, Vol. 359, Issue 1-2 https://doi.org/10.1016/j.jnucmat.2006.07.013	journal	December 2006
Fuels for sodium-cooled fast reactors: US perspective Crawford, Douglas C.; Porter, Douglas L.; Hayes, Steven L. Journal of Nuclear Materials, Vol. 371, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2007.05.010	journal	September 2007
Metallic fuels for advanced reactors Carmack, W. J.; Porter, D. L.; Chang, Y. I. Journal of Nuclear Materials, Vol. 392, Issue 2 https://doi.org/10.1016/j.jnucmat.2009.03.007	journal	July 2009
The EBR-II X501 minor actinide burning experiment Meyer, M. K.; Hayes, S. L.; Carmack, W. J. Journal of Nuclear Materials, Vol. 392, Issue 2 https://doi.org/10.1016/j.jnucmat.2009.03.041	journal	July 2009
Phase characteristics of a number of U–Pu–Am–Np–Zr metallic alloys for use as fast reactor fuels Burkes, Douglas E.; Kennedy, J. Rory; Hartmann, Thomas Journal of Nuclear Materials, Vol. 396, Issue 1 https://doi.org/10.1016/j.jnucmat.2009.10.053	journal	January 2010
Multidimensional multiphysics simulation of nuclear fuel behavior Williamson, R. L.; Hales, J. D.; Novascone, S. R. Journal of Nuclear Materials, Vol. 423, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2012.01.012	journal	April 2012
Microstructural and thermophysical properties of U–6wt.%Zr alloy for fast reactor application Kaity, Santu; Banerjee, Joydipta; Nair, M. R. Journal of Nuclear Materials, Vol. 427, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2012.03.045	journal	August 2012
An initial assessment of a mechanistic model, GRASS-SST, in U–Pu–Zr metallic alloy fuel fission-gas behavior simulations Yun, Di; Rest, Jeffrey; Hofman, Gerard L. Journal of Nuclear Materials, Vol. 435, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2012.12.024	journal	April 2013
Morphology of uranium electrodeposits on cathode in electrorefining process: A phase-field simulation Shibuta, Yasushi; Sato, Takumi; Suzuki, Toshio Journal of Nuclear Materials, Vol. 436, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2013.01.299	journal	May 2013
Thermal conductivities of actinides (U, Pu, Np, Cm, Am) and uranium-alloys (U–Zr, U–Pu–Zr and U–Pu–TRU–Zr) Kim, Yeon Soo; Cho, Tae Won; Sohn, Dong-Seong Journal of Nuclear Materials, Vol. 445, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2013.11.018	journal	February 2014
Crystal structure of high-Zr inclusions in an alloy containing U, Pu, Np, Am, Zr and rare-earth elements Janney, Dawn E.; Kennedy, J. Rory; Madden, J. W. Journal of Nuclear Materials, Vol. 448, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2014.01.044	journal	May 2014
Am phases in the matrix of a U–Pu–Zr alloy with Np, Am, and rare-earth elements Janney, Dawn E.; Kennedy, J. Rory; Madden, James W. Journal of Nuclear Materials, Vol. 456 https://doi.org/10.1016/j.jnucmat.2014.08.051	journal	January 2015
TEM identification of subsurface phases in ternary U–Pu–Zr fuel Aitkaliyeva, Assel; Madden, James W.; Papesch, Cynthia A. Journal of Nuclear Materials, Vol. 473 https://doi.org/10.1016/j.jnucmat.2016.02.022	journal	May 2016
Microstructure changes caused by annealing of U-Pu-Zr alloys Janney, Dawn E.; Sencer, Bulent H. Journal of Nuclear Materials, Vol. 486 https://doi.org/10.1016/j.jnucmat.2017.01.003	journal	April 2017
Extended fuel swelling models and ultra high burn-up fuel behavior of U–Pu–Zr metallic fuel using FEAST-METAL Karahan, Aydın; Andrews, Nathan C. Nuclear Engineering and Design, Vol. 258 https://doi.org/10.1016/j.nucengdes.2013.02.004	journal	May 2013
Modeling constituent redistribution in U–Pu–Zr metallic fuel using the advanced fuel performance code BISON Galloway, J.; Unal, C.; Carlson, N. Nuclear Engineering and Design, Vol. 286 https://doi.org/10.1016/j.nucengdes.2015.01.014	journal	May 2015
Plutonium management and Generation IV systems Lennox, T. A.; Millington, D. N.; Sunderland, R. E. Progress in Nuclear Energy, Vol. 49, Issue 8 https://doi.org/10.1016/j.pnucene.2007.02.004	journal	November 2007
Characterization of metallic fuel for minor actinides transmutation in fast reactor Capriotti, L.; Brémier, S.; Inagaki, K. Progress in Nuclear Energy, Vol. 94 https://doi.org/10.1016/j.pnucene.2016.04.004	journal	January 2017
Computational Thermodynamics Lukas, Hans; Fries, Suzana G.; Sundman, Bo https://doi.org/10.1017/CBO9780511804137	book	January 2007
Free Energy of a Nonuniform System. I. Interfacial Free Energy Cahn, John W.; Hilliard, John E. The Journal of Chemical Physics, Vol. 28, Issue 2 https://doi.org/10.1063/1.1744102	journal	February 1958
Fuel-Cladding Chemical Interaction in U-Pu-Zr Metallic Fuels: A Critical Review Matthews, Christopher; Unal, Cetin; Galloway, Jack Nuclear Technology, Vol. 198, Issue 3 https://doi.org/10.1080/00295450.2017.1323535	journal	June 2017
Irradiation-Induced Thermal Effects in Alloyed Metal Fuel of Fast Reactors Kryukov, F. N.; Nikitin, O. N.; Kuzmin, S. V. IOP Conference Series: Materials Science and Engineering, Vol. 168 https://doi.org/10.1088/1757-899X/168/1/012029	journal	January 2017
Thermodynamic database on U-Pu-Zr-Np-Am-Fe alloy system I — Re-evaluation of U-Pu-Zr alloy system - Kurata, M. IOP Conference Series: Materials Science and Engineering, Vol. 9 https://doi.org/10.1088/1757-899X/9/1/012022	journal	March 2010
Thermodynamic phase-field model for microstructure with multiple components and phases: The possibility of metastable phases Cogswell, Daniel A.; Carter, W. Craig Physical Review E, Vol. 83, Issue 6 https://doi.org/10.1103/PhysRevE.83.061602	journal	June 2011
A Numerical Calculation of the Redistribution of an Interstitial Solute in a Thermal Gradient Marino, G. P. Nuclear Science and Engineering, Vol. 49, Issue 1 https://doi.org/10.13182/NSE72-A22530	journal	September 1972
Constituent Migration Model for U-Pu-Zr Metallic Fast Reactor Fuel Ishida, Masayoshi; Ogata, Takanari; Kinoshita, Motoyasu Nuclear Technology, Vol. 104, Issue 1 https://doi.org/10.13182/NT93-A34868	journal	October 1993
Coupled microstructural-compositional evolution informed by a thermodynamic database using the hybrid Potts-phase field model Cox, Jordan J.; Homer, Eric R.; Tikare, Veena MRS Proceedings, Vol. 1524 https://doi.org/10.1557/opl.2013.165	journal	January 2013

Similar Records

Constituent migration model for U-Pu-Zr metallic fast reactor fuel

Journal Article · Fri Oct 01 00:00:00 EDT 1993 · Nuclear Technology; (United States) · OSTI ID:5889761

SSCOMP: model for annular zone formation in U-Pu-Zr fuel pins

Conference · Tue Dec 31 23:00:00 EST 1985 · Trans. Am. Nucl. Soc.; (United States) · OSTI ID:6664858

Investigation of constituent redistribution in U-Pu-Zr fuels and its dependence on varying Zr content

Journal Article · Thu Sep 16 00:00:00 EDT 2021 · Journal of Nuclear Materials · OSTI ID:1831652

Related Subjects

36 MATERIALS SCIENCE

Simulated Microstructural and Compositional Evolution of U-Pu-Zr Alloys Using the Potts-Phase Field Modeling Technique

Citation Formats

References (43)

Similar Records

Related Subjects