Development of a grain growth model for U3Si2 using experimental data, phase field simulation and molecular dynamics

Cheniour, Amani; Tonks, Michael R.; Gong, Bowen; Yao, Tiankai; He, Lingfeng; Harp, Jason M.; Beeler, Benjamin; Zhang, Yongfeng; Lian, Jie

doi:10.1016/j.jnucmat.2020.152069

Title: Development of a grain growth model for U₃Si₂ using experimental data, phase field simulation and molecular dynamics

Abstract

The purpose of this work is to develop a model for normal grain growth in U₃Si₂. The average grain boundary energy was determined from previously published molecular dynamics simulations. The grain growth kinetics were quantified at various temperatures by annealing nanocrystalline samples. Here, the mobility was determined by comparing phase field grain growth simulations to the experimental data.

Authors:

Cheniour, Amani ^[1]; Tonks, Michael R. ^[1]; Gong, Bowen ^[2];

^[3]; He, Lingfeng ^[3];

^[4];

^[5];

^[6]; Lian, Jie ^[2]

Univ. of Florida, Gainesville, FL (United States)
Rensselaer Polytechnic Inst., Troy, NY (United States)
Idaho National Lab. (INL), Idaho Falls, ID (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
North Carolina State Univ., Raleigh, NC (United States)
Univ. of Wisconsin, Madison, WI (United States)

Publication Date:: Sat Feb 22 00:00:00 EST 2020

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE Office of Nuclear Energy (NE)

OSTI Identifier:: 1606028

Alternate Identifier(s):: OSTI ID: 1602301

Grant/Contract Number:: AC05-00OR22725; AC07-051D14517; 16-10667; 19-1691

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Nuclear Materials

Additional Journal Information:: Journal Volume: 532; Journal Issue: C; Journal ID: ISSN 0022-3115

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; U3Si2; grain growth; isothermal annealing experiments; phase field; grain boundary mobility

Citation Formats


                    Cheniour, Amani, Tonks, Michael R., Gong, Bowen, Yao, Tiankai, He, Lingfeng, Harp, Jason M., Beeler, Benjamin, Zhang, Yongfeng, and Lian, Jie. Development of a grain growth model for U3Si2 using experimental data, phase field simulation and molecular dynamics.  United States: N. p., 2020. 
Web.  doi:10.1016/j.jnucmat.2020.152069.

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                    Cheniour, Amani, Tonks, Michael R., Gong, Bowen, Yao, Tiankai, He, Lingfeng, Harp, Jason M., Beeler, Benjamin, Zhang, Yongfeng, & Lian, Jie. Development of a grain growth model for U3Si2 using experimental data, phase field simulation and molecular dynamics.  United States.  https://doi.org/10.1016/j.jnucmat.2020.152069

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                    Cheniour, Amani, Tonks, Michael R., Gong, Bowen, Yao, Tiankai, He, Lingfeng, Harp, Jason M., Beeler, Benjamin, Zhang, Yongfeng, and Lian, Jie. Sat .  
"Development of a grain growth model for U3Si2 using experimental data, phase field simulation and molecular dynamics".  United States.  https://doi.org/10.1016/j.jnucmat.2020.152069.  https://www.osti.gov/servlets/purl/1606028.

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@article{osti_1606028,

  title        = {Development of a grain growth model for U3Si2 using experimental data, phase field simulation and molecular dynamics},

  author       = {Cheniour, Amani and Tonks, Michael R. and Gong, Bowen and Yao, Tiankai and He, Lingfeng and Harp, Jason M. and Beeler, Benjamin and Zhang, Yongfeng and Lian, Jie},

  abstractNote = {The purpose of this work is to develop a model for normal grain growth in U3Si2. The average grain boundary energy was determined from previously published molecular dynamics simulations. The grain growth kinetics were quantified at various temperatures by annealing nanocrystalline samples. Here, the mobility was determined by comparing phase field grain growth simulations to the experimental data.},

  doi          = {10.1016/j.jnucmat.2020.152069},

  journal      = {Journal of Nuclear Materials},

  number       = C,

  volume       = 532,

  place        = {United States},

  year         = {Sat Feb 22 00:00:00 EST 2020},

  month        = {Sat Feb 22 00:00:00 EST 2020}

}

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https://doi.org/10.1016/j.jnucmat.2020.152069

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Similar Records

Title: Development of a grain growth model for U3Si2 using experimental data, phase field simulation and molecular dynamics

Abstract

Citation Formats

Multidimensional multiphysics simulation of nuclear fuel behavior journal, April 2012

Microstructure Effects on Fracture Strength of U0 2 Fuel Pellets journal, December 1982

A modified Embedded-Atom Method interatomic potential for uranium-silicide journal, November 2017

Order parameter re-mapping algorithm for 3D phase field model of grain growth using FEM journal, April 2016

Computer simulation of grain growth using a continuum field model journal, February 1997

Dependence of the grain boundary energy on the alloy composition in the bcc iron–chromium alloy: A molecular dynamics study journal, February 2009

Fracture properties of sintered UO2 ceramic pellets with duplex microstructure journal, June 2007

A phase field model for the simulation of grain growth in materials containing finely dispersed incoherent second-phase particles journal, April 2005

A phase-field model of solidification with convection journal, January 2000

Molecular dynamics investigation of grain boundaries and surfaces in U3Si2 journal, February 2019

Multi-phase-field simulations for dynamic recrystallization journal, June 2009

Computer Simulation of Grain Growth by the Phase Field Model. Effect of Interfacial Energy on Kinetics of Grain Growth journal, January 2003

Multidimensional multiphysics simulation of TRISO particle fuel journal, November 2013

Development Status of Accident-tolerant Fuel for Light Water Reactors in Korea journal, February 2016

Grain boundary energy and grain growth in Al films: Comparison of experiments and simulations journal, March 2006

An object-oriented finite element framework for multiphysics phase field simulations journal, January 2012

Phase field formulations for modeling the Ostwald ripening in two-phase systems journal, January 1998

Comparative study of two phase-field models for grain growth journal, August 2009

Temperature dependence of grain boundary free energy and elastic constants journal, March 2010

Radiation-induced grain subdivision and bubble formation in U3Si2 at LWR temperature journal, January 2018

Spark plasma sintering and microstructural analysis of pure and Mo doped U 3 Si 2 pellets journal, December 2017

Demonstrating the Temperature Gradient Impact on Grain Growth in UO 2 Using the Phase Field Method journal, October 2013

Thermophysical properties of U 3 Si 2 to 1773 K journal, September 2015

The strength and fracture of stoichiometric polycrystalline UO2 journal, December 1969

Phase field modeling of solidification microstructure evolution during welding journal, May 2018

Uranium silicide pellet fabrication by powder metallurgy for accident tolerant fuel evaluation and irradiation journal, November 2015

An introduction to phase-field modeling of microstructure evolution journal, June 2008

MOOSE: A parallel computational framework for coupled systems of nonlinear equations journal, October 2009

Title: Development of a grain growth model for U₃Si₂ using experimental data, phase field simulation and molecular dynamics

Multidimensional multiphysics simulation of nuclear fuel behavior
journal, April 2012

Microstructure Effects on Fracture Strength of U0 ² Fuel Pellets
journal, December 1982

A modified Embedded-Atom Method interatomic potential for uranium-silicide
journal, November 2017

Order parameter re-mapping algorithm for 3D phase field model of grain growth using FEM
journal, April 2016

Computer simulation of grain growth using a continuum field model
journal, February 1997

Dependence of the grain boundary energy on the alloy composition in the bcc iron–chromium alloy: A molecular dynamics study
journal, February 2009

Fracture properties of sintered UO2 ceramic pellets with duplex microstructure
journal, June 2007

A phase field model for the simulation of grain growth in materials containing finely dispersed incoherent second-phase particles
journal, April 2005

A phase-field model of solidification with convection
journal, January 2000

Molecular dynamics investigation of grain boundaries and surfaces in U3Si2
journal, February 2019

Multi-phase-field simulations for dynamic recrystallization
journal, June 2009

Computer Simulation of Grain Growth by the Phase Field Model. Effect of Interfacial Energy on Kinetics of Grain Growth
journal, January 2003

Multidimensional multiphysics simulation of TRISO particle fuel
journal, November 2013

Development Status of Accident-tolerant Fuel for Light Water Reactors in Korea
journal, February 2016

Grain boundary energy and grain growth in Al films: Comparison of experiments and simulations
journal, March 2006

An object-oriented finite element framework for multiphysics phase field simulations
journal, January 2012

Phase field formulations for modeling the Ostwald ripening in two-phase systems
journal, January 1998

Comparative study of two phase-field models for grain growth
journal, August 2009

Temperature dependence of grain boundary free energy and elastic constants
journal, March 2010

Radiation-induced grain subdivision and bubble formation in U3Si2 at LWR temperature
journal, January 2018

Spark plasma sintering and microstructural analysis of pure and Mo doped U 3 Si 2 pellets
journal, December 2017

Demonstrating the Temperature Gradient Impact on Grain Growth in UO ₂ Using the Phase Field Method
journal, October 2013

Thermophysical properties of $U_{3} {Si}_{2}$ to 1773 K
journal, September 2015

The strength and fracture of stoichiometric polycrystalline UO2
journal, December 1969

Phase field modeling of solidification microstructure evolution during welding
journal, May 2018

Uranium silicide pellet fabrication by powder metallurgy for accident tolerant fuel evaluation and irradiation
journal, November 2015

An introduction to phase-field modeling of microstructure evolution
journal, June 2008

MOOSE: A parallel computational framework for coupled systems of nonlinear equations
journal, October 2009