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

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

Abstract

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.

Authors:

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)

Publication Date:: Fri Sep 28 00:00:00 EDT 2018

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

Sponsoring Org.:: USDOE National Nuclear Security Administration (NNSA)

OSTI Identifier:: 1485449

Report Number(s):: SAND2018-11922J
Journal ID: ISSN 1073-5623; 668732

Grant/Contract Number:: AC04-94AL85000

Resource Type:: Accepted Manuscript

Journal Name:: Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science

Additional Journal Information:: Journal Volume: 49; Journal Issue: 12; Journal ID: ISSN 1073-5623

Publisher:: ASM International

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE

Citation Formats


                    Cox, Jordan J., Homer, Eric R., Tikare, Veena, and Kurata, Masaki. Simulated Microstructural and Compositional Evolution of U-Pu-Zr Alloys Using the Potts-Phase Field Modeling Technique.  United States: N. p., 2018. 
Web.  doi:10.1007/s11661-018-4922-7.

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                    Cox, Jordan J., Homer, Eric R., Tikare, Veena, & Kurata, Masaki. Simulated Microstructural and Compositional Evolution of U-Pu-Zr Alloys Using the Potts-Phase Field Modeling Technique.  United States.  https://doi.org/10.1007/s11661-018-4922-7

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                    Cox, Jordan J., Homer, Eric R., Tikare, Veena, and Kurata, Masaki. Fri .  
"Simulated Microstructural and Compositional Evolution of U-Pu-Zr Alloys Using the Potts-Phase Field Modeling Technique".  United States.  https://doi.org/10.1007/s11661-018-4922-7.  https://www.osti.gov/servlets/purl/1485449.

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@article{osti_1485449,

  title        = {Simulated Microstructural and Compositional Evolution of U-Pu-Zr Alloys Using the Potts-Phase Field Modeling Technique},

  author       = {Cox, Jordan J. and Homer, Eric R. and Tikare, Veena and Kurata, Masaki},

  abstractNote = {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.},

  doi          = {10.1007/s11661-018-4922-7},

  journal      = {Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science},

  number       = 12,

  volume       = 49,

  place        = {United States},

  year         = {Fri Sep 28 00:00:00 EDT 2018},

  month        = {Fri Sep 28 00:00:00 EDT 2018}

}

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

Abstract

Citation Formats

Metallic fuels for advanced reactors journal, July 2009

Multidimensional multiphysics simulation of nuclear fuel behavior journal, April 2012

Fuels for sodium-cooled fast reactors: US perspective journal, September 2007

Fuel-Cladding Chemical Interaction in U-Pu-Zr Metallic Fuels: A Critical Review journal, June 2017

Status of LMR fuel development in the United States of America journal, September 1993

Characterization of metallic fuel for minor actinides transmutation in fast reactor journal, January 2017

Thermodynamic phase-field model for microstructure with multiple components and phases: The possibility of metastable phases journal, June 2011

Constituent redistribution in U–Pu–Zr fuel during irradiation journal, April 2004

Hybrid Potts-phase field model for coupled microstructural–compositional evolution journal, March 2013

Thermodynamic database on U-Pu-Zr-Np-Am-Fe alloy system I — Re-evaluation of U-Pu-Zr alloy system - journal, March 2010

Microstructural and thermophysical properties of U–6wt.%Zr alloy for fast reactor application journal, August 2012

Analysis of constituent redistribution in the γ (bcc) U–Pu–Zr alloys under gradients of temperature and concentrations journal, June 2000

Advances in Metallic Nuclear Fuel journal, April 1987

An initial assessment of a mechanistic model, GRASS-SST, in U–Pu–Zr metallic alloy fuel fission-gas behavior simulations journal, April 2013

Morphology of uranium electrodeposits on cathode in electrorefining process: A phase-field simulation journal, May 2013

Modeling of constituent redistribution in U–Pu–Zr metallic fuel journal, December 2006

Experimental studies of U-Pu-Zr fast reactor fuel pins in the experimental breeder reactor-ll journal, July 1990

Constituent Migration Model for U-Pu-Zr Metallic Fast Reactor Fuel journal, October 1993

Fuel constituent redistribution during the early stages of U-Pu-Zr irradiation journal, July 1990

Thermal conductivities of actinides (U, Pu, Np, Cm, Am) and uranium-alloys (U–Zr, U–Pu–Zr and U–Pu–TRU–Zr) journal, February 2014

Extended fuel swelling models and ultra high burn-up fuel behavior of U–Pu–Zr metallic fuel using FEAST-METAL journal, May 2013

Computational Thermodynamics book, January 2007

Modeling constituent redistribution in U–Pu–Zr metallic fuel using the advanced fuel performance code BISON journal, May 2015

Metallic fast reactor fuels journal, January 1997

Thirty years of fuels and materials information from EBR-II journal, April 1999

Irradiation behavior of metallic fast reactor fuels journal, June 1992

Phase characteristics of a number of U–Pu–Am–Np–Zr metallic alloys for use as fast reactor fuels journal, January 2010

Plutonium management and Generation IV systems journal, November 2007

Small modular reactors: Simpler, safer, cheaper? journal, September 2012

Crystal structure of high-Zr inclusions in an alloy containing U, Pu, Np, Am, Zr and rare-earth elements journal, May 2014

Am phases in the matrix of a U–Pu–Zr alloy with Np, Am, and rare-earth elements journal, January 2015

Demixing of U-Zr alloys under a thermal gradient journal, September 1991

A Numerical Calculation of the Redistribution of an Interstitial Solute in a Thermal Gradient journal, September 1972

Microstructure changes caused by annealing of U-Pu-Zr alloys journal, April 2017

Irradiation-Induced Thermal Effects in Alloyed Metal Fuel of Fast Reactors journal, January 2017

Phase-field modeling of temperature gradient driven pore migration coupling with thermal conduction journal, April 2012

Kinetics of Materials book, September 2005

The EBR-II X501 minor actinide burning experiment journal, July 2009

TEM identification of subsurface phases in ternary U–Pu–Zr fuel journal, May 2016

Free Energy of a Nonuniform System. I. Interfacial Free Energy journal, February 1958

Swelling behavior of U-Pu-Zr fuel journal, February 1990

Coupled microstructural-compositional evolution informed by a thermodynamic database using the hybrid Potts-phase field model journal, January 2013

Metallic fuels for advanced reactors
journal, July 2009

Multidimensional multiphysics simulation of nuclear fuel behavior
journal, April 2012

Fuels for sodium-cooled fast reactors: US perspective
journal, September 2007

Fuel-Cladding Chemical Interaction in U-Pu-Zr Metallic Fuels: A Critical Review
journal, June 2017

Status of LMR fuel development in the United States of America
journal, September 1993

Characterization of metallic fuel for minor actinides transmutation in fast reactor
journal, January 2017

Thermodynamic phase-field model for microstructure with multiple components and phases: The possibility of metastable phases
journal, June 2011

Constituent redistribution in U–Pu–Zr fuel during irradiation
journal, April 2004

Hybrid Potts-phase field model for coupled microstructural–compositional evolution
journal, March 2013

Thermodynamic database on U-Pu-Zr-Np-Am-Fe alloy system I — Re-evaluation of U-Pu-Zr alloy system -
journal, March 2010

Microstructural and thermophysical properties of U–6wt.%Zr alloy for fast reactor application
journal, August 2012

Analysis of constituent redistribution in the γ (bcc) U–Pu–Zr alloys under gradients of temperature and concentrations
journal, June 2000

Advances in Metallic Nuclear Fuel
journal, April 1987

An initial assessment of a mechanistic model, GRASS-SST, in U–Pu–Zr metallic alloy fuel fission-gas behavior simulations
journal, April 2013

Morphology of uranium electrodeposits on cathode in electrorefining process: A phase-field simulation
journal, May 2013

Modeling of constituent redistribution in U–Pu–Zr metallic fuel
journal, December 2006

Experimental studies of U-Pu-Zr fast reactor fuel pins in the experimental breeder reactor-ll
journal, July 1990

Constituent Migration Model for U-Pu-Zr Metallic Fast Reactor Fuel
journal, October 1993

Fuel constituent redistribution during the early stages of U-Pu-Zr irradiation
journal, July 1990

Thermal conductivities of actinides (U, Pu, Np, Cm, Am) and uranium-alloys (U–Zr, U–Pu–Zr and U–Pu–TRU–Zr)
journal, February 2014

Extended fuel swelling models and ultra high burn-up fuel behavior of U–Pu–Zr metallic fuel using FEAST-METAL
journal, May 2013

Computational Thermodynamics
book, January 2007

Modeling constituent redistribution in U–Pu–Zr metallic fuel using the advanced fuel performance code BISON
journal, May 2015

Metallic fast reactor fuels
journal, January 1997

Thirty years of fuels and materials information from EBR-II
journal, April 1999

Irradiation behavior of metallic fast reactor fuels
journal, June 1992

Phase characteristics of a number of U–Pu–Am–Np–Zr metallic alloys for use as fast reactor fuels
journal, January 2010

Plutonium management and Generation IV systems
journal, November 2007

Small modular reactors: Simpler, safer, cheaper?
journal, September 2012

Crystal structure of high-Zr inclusions in an alloy containing U, Pu, Np, Am, Zr and rare-earth elements
journal, May 2014

Am phases in the matrix of a U–Pu–Zr alloy with Np, Am, and rare-earth elements
journal, January 2015

Demixing of U-Zr alloys under a thermal gradient
journal, September 1991

A Numerical Calculation of the Redistribution of an Interstitial Solute in a Thermal Gradient
journal, September 1972

Microstructure changes caused by annealing of U-Pu-Zr alloys
journal, April 2017

Irradiation-Induced Thermal Effects in Alloyed Metal Fuel of Fast Reactors
journal, January 2017

Phase-field modeling of temperature gradient driven pore migration coupling with thermal conduction
journal, April 2012

Kinetics of Materials
book, September 2005

The EBR-II X501 minor actinide burning experiment
journal, July 2009

TEM identification of subsurface phases in ternary U–Pu–Zr fuel
journal, May 2016

Free Energy of a Nonuniform System. I. Interfacial Free Energy
journal, February 1958

Swelling behavior of U-Pu-Zr fuel
journal, February 1990

Coupled microstructural-compositional evolution informed by a thermodynamic database using the hybrid Potts-phase field model
journal, January 2013