Phase field benchmark problems for dendritic growth and linear elasticity

Jokisaari, Andrea M.; Voorhees, P. W.; Guyer, Jonathan E.; Warren, James A.; Heinonen, O. G.

doi:10.1016/j.commatsci.2018.03.015

Title: Phase field benchmark problems for dendritic growth and linear elasticity

Abstract

We present the second set of benchmark problems for phase field models that are being jointly developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST) along with input from other members in the phase field community. As the integrated computational materials engineering (ICME) approach to materials design has gained traction, there is an increasing need for quantitative phase field results. New algorithms and numerical implementations increase computational capabilities, necessitating standard problems to evaluate their impact on simulated microstructure evolution as well as their computational performance. We propose one benchmark problem for solidifiication and dendritic growth in a single-component system, and one problem for linear elasticity via the shape evolution of an elastically constrained precipitate. We demonstrate the utility and sensitivity of the benchmark problems by comparing the results of 1) dendritic growth simulations performed with different time integrators and 2) elastically constrained precipitate simulations with different precipitate sizes, initial conditions, and elastic moduli. As a result, these numerical benchmark problems will provide a consistent basis for evaluating different algorithms, both existing and those to be developed in the future, for accuracy and computational efficiency when applied to simulate physics often incorporatedmore » in phase field models.« less

Authors:

Jokisaari, Andrea M. ^[1]; Voorhees, P. W. ^[2]; Guyer, Jonathan E. ^[3]; Warren, James A. ^[3]; Heinonen, O. G. ^[4]

Northwestern Univ., Evanston, IL (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
Northwestern Univ., Evanston, IL (United States)
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
Northwestern-Argonne Institute of Science and Engineering, Evanston, IL (United States); Argonne National Lab. (ANL), Argonne, IL (United States)

Publication Date:: Mon Mar 26 00:00:00 EDT 2018

Research Org.:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Org.:: National Institute of Standards and Technology (NIST); Center for Hierarchical Materials Design (CHiMaD); USDOE

OSTI Identifier:: 1435955

Grant/Contract Number:: AC02-06CH11357

Resource Type:: Accepted Manuscript

Journal Name:: Computational Materials Science

Additional Journal Information:: Journal Volume: 149; Journal Issue: C; Journal ID: ISSN 0927-0256

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; Benchmark; Dendrite; Elasticity; Phase field

Citation Formats


                    Jokisaari, Andrea M., Voorhees, P. W., Guyer, Jonathan E., Warren, James A., and Heinonen, O. G. Phase field benchmark problems for dendritic growth and linear elasticity.  United States: N. p., 2018. 
Web.  doi:10.1016/j.commatsci.2018.03.015.

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                    Jokisaari, Andrea M., Voorhees, P. W., Guyer, Jonathan E., Warren, James A., & Heinonen, O. G. Phase field benchmark problems for dendritic growth and linear elasticity.  United States.  https://doi.org/10.1016/j.commatsci.2018.03.015

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                    Jokisaari, Andrea M., Voorhees, P. W., Guyer, Jonathan E., Warren, James A., and Heinonen, O. G. Mon .  
"Phase field benchmark problems for dendritic growth and linear elasticity".  United States.  https://doi.org/10.1016/j.commatsci.2018.03.015.  https://www.osti.gov/servlets/purl/1435955.

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@article{osti_1435955,

  title        = {Phase field benchmark problems for dendritic growth and linear elasticity},

  author       = {Jokisaari, Andrea M. and Voorhees, P. W. and Guyer, Jonathan E. and Warren, James A. and Heinonen, O. G.},

  abstractNote = {We present the second set of benchmark problems for phase field models that are being jointly developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST) along with input from other members in the phase field community. As the integrated computational materials engineering (ICME) approach to materials design has gained traction, there is an increasing need for quantitative phase field results. New algorithms and numerical implementations increase computational capabilities, necessitating standard problems to evaluate their impact on simulated microstructure evolution as well as their computational performance. We propose one benchmark problem for solidifiication and dendritic growth in a single-component system, and one problem for linear elasticity via the shape evolution of an elastically constrained precipitate. We demonstrate the utility and sensitivity of the benchmark problems by comparing the results of 1) dendritic growth simulations performed with different time integrators and 2) elastically constrained precipitate simulations with different precipitate sizes, initial conditions, and elastic moduli. As a result, these numerical benchmark problems will provide a consistent basis for evaluating different algorithms, both existing and those to be developed in the future, for accuracy and computational efficiency when applied to simulate physics often incorporated in phase field models.},

  doi          = {10.1016/j.commatsci.2018.03.015},

  journal      = {Computational Materials Science},

  number       = C,

  volume       = 149,

  place        = {United States},

  year         = {Mon Mar 26 00:00:00 EDT 2018},

  month        = {Mon Mar 26 00:00:00 EDT 2018}

}

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https://doi.org/10.1016/j.commatsci.2018.03.015

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Cited by: 23 works

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Table 1: Parameterization for the solidification and dendritic growth benchmark problem.

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Works referenced in this record:

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Works referencing / citing this record:

Tusas: A fully implicit parallel approach for coupled phase-field equations
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Ghosh, Supriyo; Newman, Christopher K.; Francois, Marianne M.
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Title: Phase field benchmark problems for dendritic growth and linear elasticity

Abstract

Citation Formats

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Integrated computational materials engineering: A new paradigm for the global materials profession journal, November 2006

Reducing Vehicle Weight and Improving U.S. Energy Efficiency Using Integrated Computational Materials Engineering journal, August 2012

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Phase-Field Formulation for Quantitative Modeling of Alloy Solidification journal, August 2001

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Large scale phase-field simulations of directional ternary eutectic solidification journal, July 2015

Solidification in a Supercomputer: From Crystal Nuclei to Dendrite Assemblages journal, May 2015

Phase-field Modeling and Simulations of Dendrite Growth journal, January 2014

Phase-Field Modeling of Polycrystalline Solidification: From Needle Crystals to Spherulites—A Review journal, November 2013

On spinodal decomposition journal, September 1961

The determination of the elastic field of an ellipsoidal inclusion, and related problems journal, August 1957

The equilibrium shape of a misfitting precipitate journal, June 1994

The dynamics of precipitate evolution in elastically stressed solids—I. Inverse coarsening journal, May 1996

The dynamics of precipitate evolution in elastically stressed solids—II. Particle alignment journal, May 1996

Large-Scale Simulations of Microstructural Evolution in Elastically Stressed Solids journal, October 2001

Shape Evolution of a Coherent Tetragonal Precipitate in Partially Stabilized Cubic ZrO2: A Computer Simulation journal, December 1993

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Topological phase inversion after long-term thermal exposure of nickel-base superalloys: Experiment and phase-field simulation journal, February 2017

Phase Field Simulations of Autocatalytic Formation of Alpha Lamellar Colonies in Ti-6Al-4V journal, September 2016

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Jacobian-free Newton–Krylov methods: a survey of approaches and applications journal, January 2004

libMesh : a C++ library for parallel adaptive mesh refinement/coarsening simulations journal, November 2006

Diagonally Implicit Runge–Kutta Methods for Stiff O.D.E.’s journal, December 1977

Controlling the accuracy of unconditionally stable algorithms in the Cahn-Hilliard equation journal, January 2007

Large-Scale Simulations of Microstructural Evolution in Elastically Stressed Solids journal, October 2001

Solidification in a Supercomputer: From Crystal Nuclei to Dendrite Assemblages journal, May 2015

Effect of antiphase domains on shape and spatial arrangement of coherent ordered intermetallics journal, November 1994

Rôle of elastic inhomogeneity in the development of cuboidal microstructures in Ni-based superalloys journal, August 2015

Phase-field models for anisotropic interfaces journal, September 1993

Tusas: A fully implicit parallel approach for coupled phase-field equations text, January 2020

PFHub: The Phase-Field Community Hub journal, January 2019

Integrated computational materials engineering: A new paradigm for the global materials profession
journal, November 2006

Reducing Vehicle Weight and Improving U.S. Energy Efficiency Using Integrated Computational Materials Engineering
journal, August 2012

Advanced lightweight materials and manufacturing processes for automotive applications
journal, November 2015

Coupling of multicomponent thermodynamic databases to a phase field model: application to solidification and solid state transformations of superalloys
journal, June 2000

Effect of Re on directional $γ^{'}$ -coarsening in commercial single crystal Ni-base superalloys: A phase field study
journal, July 2015

Formation mechanism of gas bubble superlattice in UMo metal fuels: Phase-field modeling investigation
journal, October 2016

Phase-Field Simulation of Solidification
journal, August 2002

Phase-Field Models for Microstructure Evolution
journal, August 2002

Advances of and by phase-field modelling in condensed-matter physics
journal, January 2008

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

Phase-field models in materials science
journal, July 2009

Phase-field modeling of multi-component systems
journal, June 2011

Phase-Field Model for Microstructure Evolution at the Mesoscopic Scale
journal, July 2013

Quantitative phase-field modeling of dendritic growth in two and three dimensions
journal, April 1998

A quantitative comparison between and elements for solving the Cahn–Hilliard equation
journal, March 2013

A nucleation algorithm for the coupled conserved–nonconserved phase field model
journal, February 2016

Benchmark problems for numerical implementations of phase field models
journal, January 2017

Prediction of dendritic growth and microsegregation patterns in a binary alloy using the phase-field method
journal, February 1995

Diffuse interface model of diffusion-limited crystal growth
journal, May 1985

Thermodynamically-consistent phase-field models for solidification
journal, November 1993

Thin interface asymptotics for an energy/entropy approach to phase-field models with unequal conductivities
journal, September 2000

Phase-Field Formulation for Quantitative Modeling of Alloy Solidification
journal, August 2001

Quantitative phase-field model of alloy solidification
journal, December 2004

Large scale phase-field simulations of directional ternary eutectic solidification
journal, July 2015

Solidification in a Supercomputer: From Crystal Nuclei to Dendrite Assemblages
journal, May 2015

Phase-field Modeling and Simulations of Dendrite Growth
journal, January 2014

Phase-Field Modeling of Polycrystalline Solidification: From Needle Crystals to Spherulites—A Review
journal, November 2013

On spinodal decomposition
journal, September 1961

The determination of the elastic field of an ellipsoidal inclusion, and related problems
journal, August 1957

The equilibrium shape of a misfitting precipitate
journal, June 1994

The dynamics of precipitate evolution in elastically stressed solids—I. Inverse coarsening
journal, May 1996

The dynamics of precipitate evolution in elastically stressed solids—II. Particle alignment
journal, May 1996

Large-Scale Simulations of Microstructural Evolution in Elastically Stressed Solids
journal, October 2001

Shape Evolution of a Coherent Tetragonal Precipitate in Partially Stabilized Cubic ZrO2: A Computer Simulation
journal, December 1993

Shape instability during precipitate growth in coherent solids
journal, May 1995

Topological phase inversion after long-term thermal exposure of nickel-base superalloys: Experiment and phase-field simulation
journal, February 2017

Phase Field Simulations of Autocatalytic Formation of Alpha Lamellar Colonies in Ti-6Al-4V
journal, September 2016

Microstructure and transformation texture evolution during α precipitation in polycrystalline α/β titanium alloys – A simulation study
journal, August 2015

Rôle of elastic inhomogeneity in the development of cuboidal microstructures in Ni-based superalloys
journal, August 2015

Coupling the Phase Field Method for diffusive transformations with dislocation density-based crystal plasticity: Application to Ni-based superalloys
journal, September 2016

Modelling inheritance of plastic deformation during migration of phase boundaries using a phase field method
journal, August 2014

An elastoplastic phase-field model for the evolution of hydride precipitation in zirconium. Part I: Smooth specimen
journal, August 2008

Predicting the morphologies of γʹ precipitates in cobalt-based superalloys
journal, December 2017

A diffuse interface model for microstructural evolution in elastically stressed solids
journal, March 1998

Two- and three-dimensional equilibrium morphology of a misfitting particle and the Gibbs–Thomson effect
journal, December 2004

Physics-based multiscale coupling for full core nuclear reactor simulation
journal, October 2015

A second order splitting method for the Cahn-Hilliard equation
journal, September 1989

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

Jacobian-free Newton–Krylov methods: a survey of approaches and applications
journal, January 2004

libMesh : a C++ library for parallel adaptive mesh refinement/coarsening simulations
journal, November 2006

Diagonally Implicit Runge–Kutta Methods for Stiff O.D.E.’s
journal, December 1977

Controlling the accuracy of unconditionally stable algorithms in the Cahn-Hilliard equation
journal, January 2007

Large-Scale Simulations of Microstructural Evolution in Elastically Stressed Solids
journal, October 2001

Solidification in a Supercomputer: From Crystal Nuclei to Dendrite Assemblages
journal, May 2015

Effect of antiphase domains on shape and spatial arrangement of coherent ordered intermetallics
journal, November 1994

Rôle of elastic inhomogeneity in the development of cuboidal microstructures in Ni-based superalloys
journal, August 2015

Phase-field models for anisotropic interfaces
journal, September 1993

Tusas: A fully implicit parallel approach for coupled phase-field equations
text, January 2020

PFHub: The Phase-Field Community Hub
journal, January 2019