Monte Carlo modeling of recrystallization processes in α-uranium

Steiner, M. A.; McCabe, R. J.; Garlea, E.; Agnew, S. R.

doi:10.1016/j.jnucmat.2017.04.026

Title: Monte Carlo modeling of recrystallization processes in α-uranium

Abstract

Starting with electron backscattered diffraction (EBSD) data obtained from a warm clock-rolled α-uranium deformation microstructure, a Potts Monte Carlo model was used to simulate static site-saturated recrystallization and test which recrystallization nucleation conditions within the microstructure are best validated by experimental observations. The simulations support prior observations that recrystallized nuclei within α-uranium form preferentially on non-twin high-angle grain boundary sites at 450°C. They also demonstrate, in a new finding, that nucleation along these boundaries occurs only at a highly constrained subset of sites possessing the largest degrees of local deformation. Deformation in the EBSD data can be identified by the Kernel Average Misorientation (KAM), which may be considered as a proxy for the local geometrically necessary dislocation (GND) density.

Authors:: Steiner, M. A.; McCabe, R. J.; Garlea, E.; Agnew, S. R.

Publication Date:: Tue Aug 01 00:00:00 EDT 2017

Research Org.:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Oak Ridge Y-12 Plant (Y-12), Oak Ridge, TN (United States)

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

OSTI Identifier:: 1356133

Alternate Identifier(s):: OSTI ID: 1357186; OSTI ID: 1416830

Report Number(s):: LA-UR-16-25109; MS/GAR-170323-2
Journal ID: ISSN 0022-3115

Grant/Contract Number:: AC52-06NA25396; NA0001942; DE NA 0001942; 20140630 ER

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Nuclear Materials

Additional Journal Information:: Journal Volume: 492; Journal Issue: C; Journal ID: ISSN 0022-3115

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; uranium recrystallization Potts modeling EBSD Monte Carlo; α-uranium; recrystallization; Monte Carlo; Potts modeling; EBSD

Citation Formats


                    Steiner, M. A., McCabe, R. J., Garlea, E., and Agnew, S. R. Monte Carlo modeling of recrystallization processes in α-uranium.  United States: N. p., 2017. 
Web.  doi:10.1016/j.jnucmat.2017.04.026.

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                    Steiner, M. A., McCabe, R. J., Garlea, E., & Agnew, S. R. Monte Carlo modeling of recrystallization processes in α-uranium.  United States.  https://doi.org/10.1016/j.jnucmat.2017.04.026

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                    Steiner, M. A., McCabe, R. J., Garlea, E., and Agnew, S. R. Tue .  
"Monte Carlo modeling of recrystallization processes in α-uranium".  United States.  https://doi.org/10.1016/j.jnucmat.2017.04.026.  https://www.osti.gov/servlets/purl/1356133.

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@article{osti_1356133,

  title        = {Monte Carlo modeling of recrystallization processes in α-uranium},

  author       = {Steiner, M. A. and McCabe, R. J. and Garlea, E. and Agnew, S. R.},

  abstractNote = {Starting with electron backscattered diffraction (EBSD) data obtained from a warm clock-rolled α-uranium deformation microstructure, a Potts Monte Carlo model was used to simulate static site-saturated recrystallization and test which recrystallization nucleation conditions within the microstructure are best validated by experimental observations. The simulations support prior observations that recrystallized nuclei within α-uranium form preferentially on non-twin high-angle grain boundary sites at 450°C. They also demonstrate, in a new finding, that nucleation along these boundaries occurs only at a highly constrained subset of sites possessing the largest degrees of local deformation. Deformation in the EBSD data can be identified by the Kernel Average Misorientation (KAM), which may be considered as a proxy for the local geometrically necessary dislocation (GND) density.},

  doi          = {10.1016/j.jnucmat.2017.04.026},

  journal      = {Journal of Nuclear Materials},

  number       = C,

  volume       = 492,

  place        = {United States},

  year         = {Tue Aug 01 00:00:00 EDT 2017},

  month        = {Tue Aug 01 00:00:00 EDT 2017}

}

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journal, December 2019

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Materials Research Express, Vol. 6, Issue 12
DOI: 10.1088/2053-1591/ab5d63

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Title: Monte Carlo modeling of recrystallization processes in α-uranium

Abstract

Citation Formats

Temperature and direction dependence of internal strain and texture evolution during deformation of uranium journal, June 2009

Deformation of wrought uranium: Experiments and modeling journal, September 2010

Anisotropic stress–strain response and microstructure evolution of textured α-uranium journal, January 2012

Integration of self-consistent polycrystal plasticity with dislocation density based hardening laws within an implicit finite element framework: Application to low-symmetry metals journal, October 2013

Modeling mechanical response and texture evolution of α-uranium as a function of strain rate and temperature using polycrystal plasticity journal, April 2013

Investigation of the effect of thermal residual stresses on deformation of α-uranium through neutron diffraction measurements and crystal plasticity modeling journal, February 2015

Origin of texture development in orthorhombic uranium journal, May 2016

Texture formation in orthorhombic alpha-uranium under simple compression and rolling to high strains journal, May 2016

Current issues in recrystallization: a review journal, November 1997

Recrystallization and texture journal, January 1997

Overview of modeling and simulation of recrystallization journal, January 1997

Plastic deformation of alpha-uranium; twinning and slip journal, January 1953

Slip modes of alpha uranium journal, June 1968

Recristallisation secondaire et recristallisation apres ecrouissage critique de l'uranium de haute purete journal, September 1963

Recrystallization of cold-rolled uranium journal, December 1963

Microtextural investigation of hydrided α-uranium journal, February 2004

Analysis of recrystallized volume fractions in uranium using electron backscatter diffraction journal, July 2006

Microstructure effects on the recrystallization of low-symmetry alpha-uranium journal, October 2015

Approaches to Modeling of Recrystallization journal, October 2011

A review of microstructural computer models used to simulate grain growth and recrystallisation in aluminium alloys journal, August 2002

The Potts model journal, January 1982

On abnormal subgrain growth and the origin of recrystallization nuclei journal, May 2003

Deformation and recrystallization of hexagonal metals: modeling and experimental results for zinc journal, October 2001

Monte Carlo modeling of microstructure evolution during the static recrystallization of cold-rolled, commercial-purity titanium journal, August 2006

Modeling the kinetics and microstructural evolution during static recrystallization—Monte Carlo simulation of recrystallization journal, July 1998

Dislocation Models of Crystal Grain Boundaries journal, May 1950

Quantitative Predictions from Dislocation Models of Crystal Grain Boundaries journal, February 1949

N-site modeling of a 3D viscoplastic polycrystal using Fast Fourier Transform journal, August 2001

Recrystallization kinetics in copper: Comparison between techniques journal, July 1995

An investigation into the use of electron back scattered diffraction to measure recrystallised fraction journal, June 1999

Estimation of recrystallized volume fraction from EBSD data journal, April 2002

Study of the development of the cube texture in Fe-50%Ni during recrystallization and normal grain growth journal, October 2002

Progressive steps in the development of electron backscatter diffraction and orientation imaging microscopy: EBSD AND OIM journal, February 2004

Monte Carlo simulation of primary recrystallization and annealing twinning journal, December 2014

Orientation gradients and geometrically necessary dislocations in ultrafine grained dual-phase steels studied by 2D and 3D EBSD journal, April 2010

Analysis of local orientation gradients in deformed single crystals journal, April 2005

Resolving the geometrically necessary dislocation content by conventional electron backscattering diffraction journal, June 2008

Viewpoint: experimental recovery of geometrically necessary dislocation density in polycrystals journal, January 2003

Geometrically necessary dislocation density measurements associated with different angles of indentations journal, March 2014

Stored energy, microstructure, and flow stress of deformed metals journal, September 2005

Kinetics and anisotropy of the Monte Carlo model of grain growth journal, January 2015

Grain boundary energy and curvature in Monte Carlo and cellular automata simulations of grain boundary motion journal, August 2015

The Material Point Monte Carlo model: A discrete, off-lattice method for microstructural evolution simulations journal, November 2016

Scaling Monte Carlo kinetics of the Potts model using rate theory journal, April 2000

Neutron diffraction texture study of deformed uranium plates journal, July 1996

Texture Analysis with MTEX – Free and Open Source Software Toolbox journal, February 2010

The origin and enhancement of { 0 0 0 1 } 〈 1 1 2 ¯ 0 〉 texture during heat treatment of rolled AZ31B magnesium alloys journal, August 2015

Strain Induced Grain Boundary Migration in High Purity Aluminum journal, February 1950

Automatic twin statistics from electron backscattered diffraction data: AUTOMATIC TWIN STATISTICS FROM EBSD DATA journal, October 2009

Descriptive tools for the analysis of texture projects with large datasets using MTEX : strength, symmetry and components journal, August 2014

Three dimensional predictions of grain scale plasticity and grain boundaries using crystal plasticity finite element models journal, August 2014

Texture evolution during static recrystallization of cold-rolled magnesium alloys journal, February 2016

Study on texture and dynamic recrystallization behavior of high purity copper during reverse extrusion journal, December 2019

Temperature and direction dependence of internal strain and texture evolution during deformation of uranium
journal, June 2009

Deformation of wrought uranium: Experiments and modeling
journal, September 2010

Anisotropic stress–strain response and microstructure evolution of textured α-uranium
journal, January 2012

Integration of self-consistent polycrystal plasticity with dislocation density based hardening laws within an implicit finite element framework: Application to low-symmetry metals
journal, October 2013

Modeling mechanical response and texture evolution of α-uranium as a function of strain rate and temperature using polycrystal plasticity
journal, April 2013

Investigation of the effect of thermal residual stresses on deformation of α-uranium through neutron diffraction measurements and crystal plasticity modeling
journal, February 2015

Origin of texture development in orthorhombic uranium
journal, May 2016

Texture formation in orthorhombic alpha-uranium under simple compression and rolling to high strains
journal, May 2016

Current issues in recrystallization: a review
journal, November 1997

Recrystallization and texture
journal, January 1997

Overview of modeling and simulation of recrystallization
journal, January 1997

Plastic deformation of alpha-uranium; twinning and slip
journal, January 1953

Slip modes of alpha uranium
journal, June 1968

Recristallisation secondaire et recristallisation apres ecrouissage critique de l'uranium de haute purete
journal, September 1963

Recrystallization of cold-rolled uranium
journal, December 1963

Microtextural investigation of hydrided α-uranium
journal, February 2004

Analysis of recrystallized volume fractions in uranium using electron backscatter diffraction
journal, July 2006

Microstructure effects on the recrystallization of low-symmetry alpha-uranium
journal, October 2015

Approaches to Modeling of Recrystallization
journal, October 2011

A review of microstructural computer models used to simulate grain growth and recrystallisation in aluminium alloys
journal, August 2002

The Potts model
journal, January 1982

On abnormal subgrain growth and the origin of recrystallization nuclei
journal, May 2003

Deformation and recrystallization of hexagonal metals: modeling and experimental results for zinc
journal, October 2001

Monte Carlo modeling of microstructure evolution during the static recrystallization of cold-rolled, commercial-purity titanium
journal, August 2006

Modeling the kinetics and microstructural evolution during static recrystallization—Monte Carlo simulation of recrystallization
journal, July 1998

Dislocation Models of Crystal Grain Boundaries
journal, May 1950

Quantitative Predictions from Dislocation Models of Crystal Grain Boundaries
journal, February 1949

N-site modeling of a 3D viscoplastic polycrystal using Fast Fourier Transform
journal, August 2001

Recrystallization kinetics in copper: Comparison between techniques
journal, July 1995

An investigation into the use of electron back scattered diffraction to measure recrystallised fraction
journal, June 1999

Estimation of recrystallized volume fraction from EBSD data
journal, April 2002

Study of the development of the cube texture in Fe-50%Ni during recrystallization and normal grain growth
journal, October 2002

Progressive steps in the development of electron backscatter diffraction and orientation imaging microscopy: EBSD AND OIM
journal, February 2004

Monte Carlo simulation of primary recrystallization and annealing twinning
journal, December 2014

Orientation gradients and geometrically necessary dislocations in ultrafine grained dual-phase steels studied by 2D and 3D EBSD
journal, April 2010

Analysis of local orientation gradients in deformed single crystals
journal, April 2005

Resolving the geometrically necessary dislocation content by conventional electron backscattering diffraction
journal, June 2008

Viewpoint: experimental recovery of geometrically necessary dislocation density in polycrystals
journal, January 2003

Geometrically necessary dislocation density measurements associated with different angles of indentations
journal, March 2014

Stored energy, microstructure, and flow stress of deformed metals
journal, September 2005

Kinetics and anisotropy of the Monte Carlo model of grain growth
journal, January 2015

Grain boundary energy and curvature in Monte Carlo and cellular automata simulations of grain boundary motion
journal, August 2015

The Material Point Monte Carlo model: A discrete, off-lattice method for microstructural evolution simulations
journal, November 2016

Scaling Monte Carlo kinetics of the Potts model using rate theory
journal, April 2000

Neutron diffraction texture study of deformed uranium plates
journal, July 1996

Texture Analysis with MTEX – Free and Open Source Software Toolbox
journal, February 2010

The origin and enhancement of ${0 0 0 1}$ $〈 1 1 \bar{2} 0 〉$ texture during heat treatment of rolled AZ31B magnesium alloys
journal, August 2015

Strain Induced Grain Boundary Migration in High Purity Aluminum
journal, February 1950

Automatic twin statistics from electron backscattered diffraction data: AUTOMATIC TWIN STATISTICS FROM EBSD DATA
journal, October 2009

Descriptive tools for the analysis of texture projects with large datasets using `MTEX` : strength, symmetry and components
journal, August 2014

Three dimensional predictions of grain scale plasticity and grain boundaries using crystal plasticity finite element models
journal, August 2014

Texture evolution during static recrystallization of cold-rolled magnesium alloys
journal, February 2016

Study on texture and dynamic recrystallization behavior of high purity copper during reverse extrusion
journal, December 2019