Combined crystal plasticity and grain boundary modeling of creep in ferritic-martensitic steels: I. Theory and implementation

Nassif, Omar; Truster, Timothy J.; Ma, Ran; Cochran, Kristine B.; Parks, David M.; Messner, M. C.; Sham, T-L

doi:10.1088/1361-651X/ab359c

Title: Combined crystal plasticity and grain boundary modeling of creep in ferritic-martensitic steels: I. Theory and implementation

Abstract

This paper presents a physically-based microstructural model for creep rupture at 600 degrees °C for Grade 91 steel. The model includes constitutive equations that reflect various observed phenomena in Grade 91, and it is incorporated into a mesoscale finite element model with explicit geometry for the prior austenite grains and grain boundaries. Creep within the grains is represented using crystal plasticity for dislocation motion and recovery along with linear viscous diffusional creep for point defect diffusion. The grain boundary models include physics-based models for cavity growth and nucleation that accurately capture tertiary creep and creep rupture. Simulations of creep at 100 MPa are performed, and the contribution of each mechanism is analyzed. The overarching goal is to gain a mechanistic understanding of the material to improve the prediction of creep rupture for long service lives in elevated temperature operating conditions. The creep response of the material at different stress levels, stress states, and temperatures is studied in Part 2 of this paper in order to determine the implications of the simulations on high temperature design practice. Furthermore, the second part explores the effect of triaxial stress states on the creep response and finds a transition from notch-strengthening behavior at highmore »« less

Authors:

Nassif, Omar ^[1];

^[1]; Ma, Ran ^[1]; Cochran, Kristine B.; Parks, David M. ^[2];

^[3]; Sham, T-L ^[3]

Univ. of Tennessee, Knoxville, TN (United States)
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Mechanical Engineering
Argonne National Lab. (ANL), Argonne, IL (United States). Applied Materials Division

Publication Date:: 2019-08-20

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

Sponsoring Org.:: USDOE Office of Nuclear Energy (NE), Reactor Fleet and Advanced Reactor Development. Nuclear Reactor Technologies; USDOE Office of Science (SC)

OSTI Identifier:: 1574947

Grant/Contract Number:: AC02-06CH11357

Resource Type:: Accepted Manuscript

Journal Name:: Modelling and Simulation in Materials Science and Engineering

Additional Journal Information:: Journal Volume: 27; Journal Issue: 7; Journal ID: ISSN 0965-0393

Publisher:: IOP Publishing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; creep; crystal plasticity; grain boundary sliding and cavity growth; interface elements; mesoscale modeling; tempered martensitic steels

Citation Formats


                    Nassif, Omar, Truster, Timothy J., Ma, Ran, Cochran, Kristine B., Parks, David M., Messner, M. C., and Sham, T-L. Combined crystal plasticity and grain boundary modeling of creep in ferritic-martensitic steels: I. Theory and implementation.  United States: N. p., 2019. 
Web.  doi:10.1088/1361-651X/ab359c.

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                    Nassif, Omar, Truster, Timothy J., Ma, Ran, Cochran, Kristine B., Parks, David M., Messner, M. C., & Sham, T-L. Combined crystal plasticity and grain boundary modeling of creep in ferritic-martensitic steels: I. Theory and implementation.  United States.  https://doi.org/10.1088/1361-651X/ab359c

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                    Nassif, Omar, Truster, Timothy J., Ma, Ran, Cochran, Kristine B., Parks, David M., Messner, M. C., and Sham, T-L. Tue .  
"Combined crystal plasticity and grain boundary modeling of creep in ferritic-martensitic steels: I. Theory and implementation".  United States.  https://doi.org/10.1088/1361-651X/ab359c.  https://www.osti.gov/servlets/purl/1574947.

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@article{osti_1574947,

  title        = {Combined crystal plasticity and grain boundary modeling of creep in ferritic-martensitic steels: I. Theory and implementation},

  author       = {Nassif, Omar and Truster, Timothy J. and Ma, Ran and Cochran, Kristine B. and Parks, David M. and Messner, M. C. and Sham, T-L},

  abstractNote = {This paper presents a physically-based microstructural model for creep rupture at 600 degrees °C for Grade 91 steel. The model includes constitutive equations that reflect various observed phenomena in Grade 91, and it is incorporated into a mesoscale finite element model with explicit geometry for the prior austenite grains and grain boundaries. Creep within the grains is represented using crystal plasticity for dislocation motion and recovery along with linear viscous diffusional creep for point defect diffusion. The grain boundary models include physics-based models for cavity growth and nucleation that accurately capture tertiary creep and creep rupture. Simulations of creep at 100 MPa are performed, and the contribution of each mechanism is analyzed. The overarching goal is to gain a mechanistic understanding of the material to improve the prediction of creep rupture for long service lives in elevated temperature operating conditions. The creep response of the material at different stress levels, stress states, and temperatures is studied in Part 2 of this paper in order to determine the implications of the simulations on high temperature design practice. Furthermore, the second part explores the effect of triaxial stress states on the creep response and finds a transition from notch-strengthening behavior at high stress to notch-weakening behavior at lower stresses.},

  doi          = {10.1088/1361-651X/ab359c},

  journal      = {Modelling and Simulation in Materials Science and Engineering},

  number       = 7,

  volume       = 27,

  place        = {United States},

  year         = {2019},

  month        = {8}

}

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Dimmler, G.; Weinert, P.; Kozeschnik, E.
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Creep Rupture Ductility of Creep Strength Enhanced Ferritic Steels
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Kimura, Kazuhiro; Sawada, Kota; Kushima, Hideaki
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Title: Combined crystal plasticity and grain boundary modeling of creep in ferritic-martensitic steels: I. Theory and implementation

Abstract

Citation Formats

Void nucleation and growth in irradiated polycrystalline metals: a phase-field model journal, August 2009

Simulation of inter- and transgranular crack propagation in polycrystalline aggregates due to stress corrosion cracking journal, August 2009

Discontinuous Galerkin/extrinsic cohesive zone modeling: Implementation caveats and applications in computational fracture mechanics journal, September 2014

Application of the finite method in micromechanical analyses of creep fracture problems journal, January 1983

Microstructure based creep constitutive model for precipitation strengthened alloys: theory and application journal, February 2009

A three-dimensional cohesive-frictional grain-boundary micromechanical model for intergranular degradation and failure in polycrystalline materials journal, October 2013

Coarsening behavior of lath and its effect on creep rates in tempered martensitic 9Cr–W steels journal, December 2004

Mesoscale modeling of nonlinear elasticity and fracture in ceramic polycrystals under dynamic shear and compression journal, September 2012

Continuum Damage Mechanics: Part II—Damage Growth, Crack Initiation, and Crack Growth journal, March 1988

In-situ synchrotron X-ray study of microstructural evolution during creep deformation in Grade 91 steel journal, November 2018

A Criterion for Ductile Fracture by the Growth of Holes journal, June 1968

Theory of Steady‐State Creep Based on Dislocation Climb journal, October 1955

On topology-based cohesive interface element insertion along periodic boundary surfaces journal, January 2019

Creep crack growth by grain boundary cavitation under monotonic and cyclic loading journal, November 2017

Diffusional Viscosity of a Polycrystalline Solid journal, May 1950

A Model for Boundary Diffusion Controlled Creep in Polycrystalline Materials journal, June 1963

Macroscopic results of long-term creep on a modified 9Cr–1Mo steel (T91) journal, June 2009

Creep rupture of circular notched P91-specimens: Influence of heat treatment and notch geometry journal, October 1992

Creep deformation mechanisms in modified 9Cr–1Mo steel journal, April 2012

Long-term creep deformation property of modified 9Cr–1Mo steel journal, June 2009

Structural analysis of a power plant component using a stress-range-dependent creep-damage constitutive model journal, June 2009

Effects of grain boundary heterogeneities on creep fracture studied by rate-dependent cohesive model journal, October 2012

Experimental study and multiscale modelling of the high temperature deformation of tempered martensite under multiaxial loading journal, November 2018

The non-uniform flow of polycrystals by grain-boundary sliding accommodated by power-law creep journal, April 1975

Large-scale 3D random polycrystals for the finite element method: Generation, meshing and remeshing journal, April 2011

On the stress singularities in the plane elasticity of the composite wedge journal, October 1979

Three-dimensional analysis of creeping polycrystals using periodic arrays of truncated octahedra journal, April 1993

A creep model for austenitic stainless steels incorporating cavitation and wedge cracking journal, December 2010

Transition from power-law to viscous creep behaviour of p-91 type heat-resistant steel journal, August 1997

Fully periodic RVEs for technological relevant composites: not worth the effort! journal, January 2017

Micromechanics of intergranular creep failure under cyclic loading journal, July 1996

Viscous creep of aluminum near its melting temperature journal, November 1957

Diffusion creep by dislocation climb in beryllium and Be-Cu single crystals journal, May 1973

Diffusive growth of grain-boundary cavities journal, October 1981

Dislocation creep behavior in Mg–Al–Zn alloys journal, October 2005

A Discontinuous/continuous Galerkin method for modeling of interphase damage in fibrous composite systems journal, February 2013

Stress singularities at triple junctions with freely sliding grains journal, May 1996

Advances in Physical Metallurgy and Processing of Steels. Strengthening Mechanisms of Creep Resistant Tempered Martensitic Steel. journal, January 2001

Creep-Fatigue Interactions in a 9 Pct Cr-1 Pct Mo Martensitic Steel: Part II. Microstructural Evolutions journal, December 2008

A variational multiscale discontinuous Galerkin formulation for both implicit and explicit dynamic modeling of interfacial fracture journal, January 2019

Creep deformation mechanisms and CPFE modelling of a nickel-base superalloy journal, March 2018

On grain boundary sliding and diffusional creep journal, April 1971

DEIP, discontinuous element insertion Program — Mesh generation for interfacial finite element modeling journal, January 2018

Creep rupture behavior of Grade 91 steel journal, March 2013

Numerical integration of rate constitutive equations in finite deformation analysis journal, October 1983

Diffusion-coupled cohesive interface simulations of stress corrosion intergranular cracking in polycrystalline materials journal, September 2017

Effects of triaxial stressing on creep cavitation of grain boundaries journal, June 1983

Microtomographic investigation of damage in E911 steel after long term creep journal, November 2010

A dislocation-based model for high temperature cyclic viscoplasticity of 9–12Cr steels journal, September 2014

Analytical homogenization modeling and computational simulation of intergranular fracture in polycrystals journal, April 2015

Free volume as a criterion for grain boundary models journal, June 1972

Nucleation, growth and coalescence of multiple cavities at a grain-boundary journal, July 2004

Investigations on the growth kinetics of Laves phase precipitates in 12% Cr creep-resistant steels: Experimental and DICTRA calculations journal, October 2010

A general theory of an elastic-plastic continuum journal, January 1965

Stress concentration at a sharp edge in contact problems journal, June 1972

Study of the microstructure of the Grade 91 steel after more than 100,000 h of creep exposure at 600 °C journal, June 2010

Creep cavitation in 304 stainless steel journal, July 1981

Plastic creep flow effects in the diffusive cavitation of grain boundaries journal, October 1980

On the parametric sensitivity of cohesive zone models for high-cycle fatigue delamination of composites journal, March 2016

Modelling of creep in a Ni base superalloy using a single crystal plasticity model journal, December 1997

Cavity growth on a sliding grain boundary journal, November 1983

A new methodology for analysis of creep and creep fracture data for 9–12% chromium steels journal, March 2008

Dislocation-based modeling of long-term creep behaviors of Grade 91 steels journal, May 2018

Study of creep cavitation behavior in tempered martensitic steel using synchrotron micro-tomography and serial sectioning techniques journal, March 2013

9%Cr heat resistant steels: Alloy design, microstructure evolution and creep response at 650°C journal, June 2011

Heat-to-heat variation of creep strength and long-term stability of microstructure in Grade 91 steels journal, March 2014

A model for the creep deformation behaviour of single-crystal superalloy CMSX-4 journal, May 2008

Analysis of cavity evolution in 9%Cr heat-resistant steel welded joint during creep journal, October 2018

Constitutive equations for cyclic plasticity and cyclic viscoplasticity journal, January 1989

Numerical simulation of quasi-brittle fracture using damaging cohesive surfaces journal, September 2000

Micromechanical finite element modelling of thermo-mechanical fatigue for P91 steels journal, June 2016

Consistent crystal plasticity kinematics and linearization for the implicit finite element method journal, August 2015

Free volume as a guide to grain boundary phenomena journal, July 1972

A study of the creep behavior of modified 9Cr–1Mo steel using continuum-damage modeling journal, October 2012

An interface element formulation for the analysis of soil-reinforcement interaction journal, January 1989

An experimental study of stress singularities at a sharp corner in a contact problem journal, September 1990

Finite element interface models for the delamination analysis of laminated composites: mechanical and computational issues journal, January 2001

Void nucleation and growth in irradiated polycrystalline metals: a phase-field model
journal, August 2009

Simulation of inter- and transgranular crack propagation in polycrystalline aggregates due to stress corrosion cracking
journal, August 2009

Discontinuous Galerkin/extrinsic cohesive zone modeling: Implementation caveats and applications in computational fracture mechanics
journal, September 2014

Application of the finite method in micromechanical analyses of creep fracture problems
journal, January 1983

Microstructure based creep constitutive model for precipitation strengthened alloys: theory and application
journal, February 2009

A three-dimensional cohesive-frictional grain-boundary micromechanical model for intergranular degradation and failure in polycrystalline materials
journal, October 2013

Coarsening behavior of lath and its effect on creep rates in tempered martensitic 9Cr–W steels
journal, December 2004

Mesoscale modeling of nonlinear elasticity and fracture in ceramic polycrystals under dynamic shear and compression
journal, September 2012

Continuum Damage Mechanics: Part II—Damage Growth, Crack Initiation, and Crack Growth
journal, March 1988

In-situ synchrotron X-ray study of microstructural evolution during creep deformation in Grade 91 steel
journal, November 2018

A Criterion for Ductile Fracture by the Growth of Holes
journal, June 1968

Theory of Steady‐State Creep Based on Dislocation Climb
journal, October 1955

On topology-based cohesive interface element insertion along periodic boundary surfaces
journal, January 2019

Creep crack growth by grain boundary cavitation under monotonic and cyclic loading
journal, November 2017

Diffusional Viscosity of a Polycrystalline Solid
journal, May 1950

A Model for Boundary Diffusion Controlled Creep in Polycrystalline Materials
journal, June 1963

Macroscopic results of long-term creep on a modified 9Cr–1Mo steel (T91)
journal, June 2009

Creep rupture of circular notched P91-specimens: Influence of heat treatment and notch geometry
journal, October 1992

Creep deformation mechanisms in modified 9Cr–1Mo steel
journal, April 2012

Long-term creep deformation property of modified 9Cr–1Mo steel
journal, June 2009

Structural analysis of a power plant component using a stress-range-dependent creep-damage constitutive model
journal, June 2009

Effects of grain boundary heterogeneities on creep fracture studied by rate-dependent cohesive model
journal, October 2012

Experimental study and multiscale modelling of the high temperature deformation of tempered martensite under multiaxial loading
journal, November 2018

The non-uniform flow of polycrystals by grain-boundary sliding accommodated by power-law creep
journal, April 1975

Large-scale 3D random polycrystals for the finite element method: Generation, meshing and remeshing
journal, April 2011

On the stress singularities in the plane elasticity of the composite wedge
journal, October 1979

Three-dimensional analysis of creeping polycrystals using periodic arrays of truncated octahedra
journal, April 1993

A creep model for austenitic stainless steels incorporating cavitation and wedge cracking
journal, December 2010

Transition from power-law to viscous creep behaviour of p-91 type heat-resistant steel
journal, August 1997

Fully periodic RVEs for technological relevant composites: not worth the effort!
journal, January 2017

Micromechanics of intergranular creep failure under cyclic loading
journal, July 1996

Viscous creep of aluminum near its melting temperature
journal, November 1957

Diffusion creep by dislocation climb in beryllium and Be-Cu single crystals
journal, May 1973

Diffusive growth of grain-boundary cavities
journal, October 1981

Dislocation creep behavior in Mg–Al–Zn alloys
journal, October 2005

A Discontinuous/continuous Galerkin method for modeling of interphase damage in fibrous composite systems
journal, February 2013

Stress singularities at triple junctions with freely sliding grains
journal, May 1996

Advances in Physical Metallurgy and Processing of Steels. Strengthening Mechanisms of Creep Resistant Tempered Martensitic Steel.
journal, January 2001

Creep-Fatigue Interactions in a 9 Pct Cr-1 Pct Mo Martensitic Steel: Part II. Microstructural Evolutions
journal, December 2008

A variational multiscale discontinuous Galerkin formulation for both implicit and explicit dynamic modeling of interfacial fracture
journal, January 2019

Creep deformation mechanisms and CPFE modelling of a nickel-base superalloy
journal, March 2018

On grain boundary sliding and diffusional creep
journal, April 1971

DEIP, discontinuous element insertion Program — Mesh generation for interfacial finite element modeling
journal, January 2018

Creep rupture behavior of Grade 91 steel
journal, March 2013

Numerical integration of rate constitutive equations in finite deformation analysis
journal, October 1983

Diffusion-coupled cohesive interface simulations of stress corrosion intergranular cracking in polycrystalline materials
journal, September 2017

Effects of triaxial stressing on creep cavitation of grain boundaries
journal, June 1983

Microtomographic investigation of damage in E911 steel after long term creep
journal, November 2010

A dislocation-based model for high temperature cyclic viscoplasticity of 9–12Cr steels
journal, September 2014

Analytical homogenization modeling and computational simulation of intergranular fracture in polycrystals
journal, April 2015

Free volume as a criterion for grain boundary models
journal, June 1972

Nucleation, growth and coalescence of multiple cavities at a grain-boundary
journal, July 2004

Investigations on the growth kinetics of Laves phase precipitates in 12% Cr creep-resistant steels: Experimental and DICTRA calculations
journal, October 2010

A general theory of an elastic-plastic continuum
journal, January 1965

Stress concentration at a sharp edge in contact problems
journal, June 1972

Study of the microstructure of the Grade 91 steel after more than 100,000 h of creep exposure at 600 °C
journal, June 2010

Creep cavitation in 304 stainless steel
journal, July 1981

Plastic creep flow effects in the diffusive cavitation of grain boundaries
journal, October 1980

On the parametric sensitivity of cohesive zone models for high-cycle fatigue delamination of composites
journal, March 2016

Modelling of creep in a Ni base superalloy using a single crystal plasticity model
journal, December 1997

Cavity growth on a sliding grain boundary
journal, November 1983

A new methodology for analysis of creep and creep fracture data for 9–12% chromium steels
journal, March 2008

Dislocation-based modeling of long-term creep behaviors of Grade 91 steels
journal, May 2018

Study of creep cavitation behavior in tempered martensitic steel using synchrotron micro-tomography and serial sectioning techniques
journal, March 2013

9%Cr heat resistant steels: Alloy design, microstructure evolution and creep response at 650°C
journal, June 2011

Heat-to-heat variation of creep strength and long-term stability of microstructure in Grade 91 steels
journal, March 2014

A model for the creep deformation behaviour of single-crystal superalloy CMSX-4
journal, May 2008

Analysis of cavity evolution in 9%Cr heat-resistant steel welded joint during creep
journal, October 2018

Constitutive equations for cyclic plasticity and cyclic viscoplasticity
journal, January 1989

Numerical simulation of quasi-brittle fracture using damaging cohesive surfaces
journal, September 2000

Micromechanical finite element modelling of thermo-mechanical fatigue for P91 steels
journal, June 2016

Consistent crystal plasticity kinematics and linearization for the implicit finite element method
journal, August 2015

Free volume as a guide to grain boundary phenomena
journal, July 1972

A study of the creep behavior of modified 9Cr–1Mo steel using continuum-damage modeling
journal, October 2012

An interface element formulation for the analysis of soil-reinforcement interaction
journal, January 1989

An experimental study of stress singularities at a sharp corner in a contact problem
journal, September 1990

Finite element interface models for the delamination analysis of laminated composites: mechanical and computational issues
journal, January 2001

A unified formulation for interface coupling and frictional contact modeling with embedded error estimation: UNIFIED FORMULATION FOR INTERFACE COUPLING AND FRICTIONAL CONTACT MODELING
journal, June 2012

Structural materials issues for the next generation fission reactors
journal, September 2010

On the numerical integration of interface elements
journal, January 1993