Implementation and experimental validation of nonlocal damage in a large-strain elasto-viscoplastic FFT-based framework for predicting ductile fracture in 3D polycrystalline materials

Cocke, Carter K.; Mirmohammad, H.; Zecevic, Miroslav; Phung, B. R.; Lebensohn, Ricardo A.; Kingstedt, O. T.; Spear, Ashley D.

doi:10.1016/j.ijplas.2022.103508

Implementation and experimental validation of nonlocal damage in a large-strain elasto-viscoplastic FFT-based framework for predicting ductile fracture in 3D polycrystalline materials

Journal Article · Fri Jan 06 00:00:00 EST 2023 · International Journal of Plasticity

DOI:https://doi.org/10.1016/j.ijplas.2022.103508· OSTI ID:1922795

^[1]; ^[1]; ^[2]; ^[1]; ^[2]; Kingstedt, O. T. ^[1]; ^[1]

Univ. of Utah, Salt Lake City, UT (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Ductile materials, such as metal alloys, can undergo substantial deformation before failure. Additionally, these materials are usually of polycrystalline composition and exhibit strongly anisotropic behavior at small length scales. Previously developed fast Fourier transform (FFT)-based models can model ductile fracture of isotropic materials or the elastic–plastic behavior of anisotropic polycrystalline materials; however, there remains a need to couple both capabilities. This work extends a large-strain FFT-based crystal plasticity model to simulate ductile fracture of polycrystalline materials. In this work, a triaxiality-based continuum damage mechanics (CDM) formulation is incorporated into a large-strain elasto-viscoplastic FFT (LS-EVPFFT) framework. The CDM formulation is augmented with an integral-based nonlocal regularization approach that correctly handles gas-phase material necessary to model unconstrained surfaces. To validate the damage-enabled LS-EVPFFT framework, mesoscale copper tensile coupons were machined using microwire electrical discharge machining and experimentally characterized using electron backscatter diffraction. In-situ optical digital image correlation was performed during uniaxial testing to provide a side-by-side comparison of the experimental and computational strain fields and stress–strain responses. The damage-enabled LS-EVPFFT framework can simulate the complete macroscopic stress–strain response of ductile polycrystals to failure. The model reproduces necking behavior that qualitatively agrees with experimental observations. By leveraging the relatively low computational cost of the damage-enabled LS-EVPFFT framework, the framework presented here allows the ductile fracture response of 3D polycrystalline materials to be tractably predicted.

View Accepted Manuscript (DOE)

Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Nuclear Energy (NE); USDOE Office of Nuclear Energy (NE), Nuclear Energy University Program (NEUP)

Grant/Contract Number:: 89233218CNA000001; NE0008799

OSTI ID:: 1922795

Alternate ID(s):: OSTI ID: 1958912

Report Number(s):: LA-UR-22-29046

Journal Information:: International Journal of Plasticity, Journal Name: International Journal of Plasticity Vol. 162; ISSN 0749-6419

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (66)

On analysis of the elasto-viscoplastic response of single crystals with anisotropic damage: constitutive modelling and computational aspects Lu, Feng; Guang, Zhang; Ke-shi, Zhang International Journal for Numerical Methods in Engineering, Vol. 61, Issue 3 https://doi.org/10.1002/nme.1072	journal	September 2004
Finite rotation effects in numerical integration of rate constitutive equations arising in large-deformation analysis Hughes, Thomas J. R.; Winget, James International Journal for Numerical Methods in Engineering, Vol. 15, Issue 12 https://doi.org/10.1002/nme.1620151210	journal	December 1980
An algorithm for stress and mixed control in Galerkin‐based FFT homogenization Lucarini, S.; Segurado, J. International Journal for Numerical Methods in Engineering, Vol. 119, Issue 8 https://doi.org/10.1002/nme.6069	journal	April 2019
An FFT‐based method for computing weighted minimal surfaces in microstructures with applications to the computational homogenization of brittle fracture Schneider, Matti International Journal for Numerical Methods in Engineering, Vol. 121, Issue 7 https://doi.org/10.1002/nme.6270	journal	December 2019
Influence of voids on shear band instabilities under plane strain conditions Tvergaard, Viggo International Journal of Fracture, Vol. 17, Issue 4 https://doi.org/10.1007/BF00036191	journal	August 1981
FFT phase-field model combined with cohesive composite voxels for fracture of composite materials with interfaces Chen, Yang; Gélébart, Lionel; Marano, Aldo Computational Mechanics, Vol. 68, Issue 2 https://doi.org/10.1007/s00466-021-02041-1	journal	June 2021
Computing the effective crack energy of heterogeneous and anisotropic microstructures via anisotropic minimal surfaces Ernesti, Felix; Schneider, Matti Computational Mechanics, Vol. 69, Issue 1 https://doi.org/10.1007/s00466-021-02082-6	journal	August 2021
A damage model for crack prediction in brittle and quasi-brittle materials solved by the FFT method Li, Jia; Tian, Xiao-Xiao; Abdelmoula, Radhi International Journal of Fracture, Vol. 173, Issue 2 https://doi.org/10.1007/s10704-011-9671-1	journal	January 2012
The Sandia Fracture Challenge: blind round robin predictions of ductile tearing Boyce, B. L.; Kramer, S. L. B.; Fang, H. E. International Journal of Fracture, Vol. 186, Issue 1-2 https://doi.org/10.1007/s10704-013-9904-6	journal	January 2014
The second Sandia Fracture Challenge: predictions of ductile failure under quasi-static and moderate-rate dynamic loading Boyce, B. L.; Kramer, S. L. B.; Bosiljevac, T. R. International Journal of Fracture, Vol. 198, Issue 1-2 https://doi.org/10.1007/s10704-016-0089-7	journal	March 2016
The third Sandia fracture challenge: predictions of ductile fracture in additively manufactured metal Kramer, Sharlotte L. B.; Jones, Amanda; Mostafa, Ahmed International Journal of Fracture, Vol. 218, Issue 1-2 https://doi.org/10.1007/s10704-019-00361-1	journal	July 2019
Finite element simulation of ductile fracture in polycrystalline materials using a regularized porous crystal plasticity model Khadyko, Mikhail; Frodal, Bjørn Håkon; Hopperstad, Odd Sture International Journal of Fracture, Vol. 228, Issue 1 https://doi.org/10.1007/s10704-020-00503-w	journal	February 2021
The computer simulation of microstructural evolution Holm, Elizabeth A.; Battaile, Corbett C. JOM, Vol. 53, Issue 9 https://doi.org/10.1007/s11837-001-0063-2	journal	September 2001
Coupled Crystal Plasticity–Phase Field Fracture Simulation Study on Damage Evolution Around a Void: Pore Shape Versus Crystallographic Orientation Diehl, Martin; Wicke, Marcel; Shanthraj, Pratheek JOM, Vol. 69, Issue 5 https://doi.org/10.1007/s11837-017-2308-8	journal	March 2017
The AFRL Additive Manufacturing Modeling Challenge: Predicting Micromechanical Fields in AM IN625 Using an FFT-Based Method with Direct Input from a 3D Microstructural Image Cocke, Carter K.; Rollett, Anthony D.; Lebensohn, Ricardo A. Integrating Materials and Manufacturing Innovation, Vol. 10, Issue 2 https://doi.org/10.1007/s40192-021-00211-w	journal	May 2021
Analysis of the cup-cone fracture in a round tensile bar Tvergaard, V.; Needleman, A. Acta Metallurgica, Vol. 32, Issue 1 https://doi.org/10.1016/0001-6160(84)90213-X	journal	January 1984
Yield surfaces for textured polycrystals—I. Crystallographic approach Lequeu, Ph.; Gilormini, P.; Montheillet, F. Acta Metallurgica, Vol. 35, Issue 2 https://doi.org/10.1016/0001-6160(87)90250-1	journal	February 1987
On the ductile enlargement of voids in triaxial stress fields∗ Rice, J. R.; Tracey, D. M. Journal of the Mechanics and Physics of Solids, Vol. 17, Issue 3 https://doi.org/10.1016/0022-5096(69)90033-7	journal	June 1969
Nonlocal models for damage and fracture: Comparison of approaches Jirásek, Milan International Journal of Solids and Structures, Vol. 35, Issue 31-32 https://doi.org/10.1016/S0020-7683(97)00306-5	journal	November 1998
A numerical method for computing the overall response of nonlinear composites with complex microstructure Moulinec, H.; Suquet, P. Computer Methods in Applied Mechanics and Engineering, Vol. 157, Issue 1-2 https://doi.org/10.1016/S0045-7825(97)00218-1	journal	April 1998
Finite deformation plasticity based on the additive split of the rate of deformation and hyperelasticity Fish, Jacob; Shek, Kamlun Computer Methods in Applied Mechanics and Engineering, Vol. 190, Issue 1-2 https://doi.org/10.1016/S0045-7825(99)00415-6	journal	October 2000
The flow stress behavior of OFHC polycrystalline copper Flinn, J. E.; Field, D. P.; Korth, G. E. Acta Materialia, Vol. 49, Issue 11 https://doi.org/10.1016/S1359-6454(01)00102-1	journal	June 2001
Orientation image-based micromechanical modelling of subgrain texture evolution in polycrystalline copper Lebensohn, Ricardo A.; Brenner, Renald; Castelnau, Olivier Acta Materialia, Vol. 56, Issue 15 https://doi.org/10.1016/j.actamat.2008.04.016	journal	September 2008
Intragranular localization induced by softening crystal plasticity: Analysis of slip and kink bands localization modes from high resolution FFT-simulations results Marano, Aldo; Gélébart, Lionel; Forest, Samuel Acta Materialia, Vol. 175 https://doi.org/10.1016/j.actamat.2019.06.010	journal	August 2019
A multiscale approach for modeling progressive damage of composite materials using fast Fourier transforms Spahn, J.; Andrä, H.; Kabel, M. Computer Methods in Applied Mechanics and Engineering, Vol. 268 https://doi.org/10.1016/j.cma.2013.10.017	journal	January 2014
A new visco-plastic self-consistent formulation implicit in dislocation-based hardening within implicit finite elements: Application to high strain rate and impact deformation of tantalum Zecevic, Miroslav; Knezevic, Marko Computer Methods in Applied Mechanics and Engineering, Vol. 341 https://doi.org/10.1016/j.cma.2018.07.027	journal	November 2018
A FFT solver for variational phase-field modeling of brittle fracture Chen, Yang; Vasiukov, Dmytro; Gélébart, Lionel Computer Methods in Applied Mechanics and Engineering, Vol. 349 https://doi.org/10.1016/j.cma.2019.02.017	journal	June 2019
FFT-based solver for higher-order and multi-phase-field fracture models applied to strongly anisotropic brittle materials Ma, Ran; Sun, WaiChing Computer Methods in Applied Mechanics and Engineering, Vol. 362 https://doi.org/10.1016/j.cma.2019.112781	journal	April 2020
An FFT framework for simulating non-local ductile failure in heterogeneous materials Magri, M.; Lucarini, S.; Lemoine, G. Computer Methods in Applied Mechanics and Engineering, Vol. 380 https://doi.org/10.1016/j.cma.2021.113759	journal	July 2021
DAMASK – The Düsseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single crystal up to the component scale Roters, F.; Diehl, M.; Shanthraj, P. Computational Materials Science, Vol. 158 https://doi.org/10.1016/j.commatsci.2018.04.030	journal	February 2019
Spectral methods for full-field micromechanical modelling of polycrystalline materials Lebensohn, Ricardo A.; Rollett, Anthony D. Computational Materials Science, Vol. 173 https://doi.org/10.1016/j.commatsci.2019.109336	journal	February 2020
Progressive damage analysis of 3D braided composites using FFT-based method Wang, Bing; Fang, Guodong; Liu, Shuo Composite Structures, Vol. 192 https://doi.org/10.1016/j.compstruct.2018.02.040	journal	May 2018
A multi-GPU implementation of a full-field crystal plasticity solver for efficient modeling of high-resolution microstructures Eghtesad, Adnan; Germaschewski, Kai; Lebensohn, Ricardo A. Computer Physics Communications, Vol. 254 https://doi.org/10.1016/j.cpc.2020.107231	journal	September 2020
Fourier-based schemes for computing the mechanical response of composites with accurate local fields Willot, François Comptes Rendus Mécanique, Vol. 343, Issue 3 https://doi.org/10.1016/j.crme.2014.12.005	journal	March 2015
A Lode-dependent enhanced Lemaitre model for ductile fracture prediction at low stress triaxiality Cao, T. -S.; Gachet, J. -M.; Montmitonnet, P. Engineering Fracture Mechanics, Vol. 124-125 https://doi.org/10.1016/j.engfracmech.2014.03.021	journal	July 2014
Formulation of nonlocal damage models based on spectral methods for application to complex microstructures Boeff, Martin; Gutknecht, Florian; Engels, Philipp S. Engineering Fracture Mechanics, Vol. 147 https://doi.org/10.1016/j.engfracmech.2015.06.030	journal	October 2015
Integral nonlocal approach to model interface decohesion in FFT solvers Sharma, L.; Peerlings, R. H. J.; Geers, M. G. D. Engineering Fracture Mechanics, Vol. 243 https://doi.org/10.1016/j.engfracmech.2020.107516	journal	February 2021
DBFFT: A displacement based FFT approach for non-linear homogenization of the mechanical behavior Lucarini, S.; Segurado, J. International Journal of Engineering Science, Vol. 144 https://doi.org/10.1016/j.ijengsci.2019.103131	journal	November 2019
A new model of metal plasticity and fracture with pressure and Lode dependence Bai, Yuanli; Wierzbicki, Tomasz International Journal of Plasticity, Vol. 24, Issue 6 https://doi.org/10.1016/j.ijplas.2007.09.004	journal	June 2008
The role of grain boundaries on fatigue crack initiation – An energy approach Sangid, Michael D.; Maier, Hans J.; Sehitoglu, Huseyin International Journal of Plasticity, Vol. 27, Issue 5 https://doi.org/10.1016/j.ijplas.2010.09.009	journal	May 2011
An elasto-viscoplastic formulation based on fast Fourier transforms for the prediction of micromechanical fields in polycrystalline materials Lebensohn, Ricardo A.; Kanjarla, Anand K.; Eisenlohr, Philip International Journal of Plasticity, Vol. 32-33 https://doi.org/10.1016/j.ijplas.2011.12.005	journal	May 2012
A spectral method solution to crystal elasto-viscoplasticity at finite strains Eisenlohr, P.; Diehl, M.; Lebensohn, R. A. International Journal of Plasticity, Vol. 46 https://doi.org/10.1016/j.ijplas.2012.09.012	journal	July 2013
An inverse optimization strategy to determine single crystal mechanical behavior from polycrystal tests: Application to AZ31 Mg alloy Herrera-Solaz, V.; LLorca, J.; Dogan, E. International Journal of Plasticity, Vol. 57 https://doi.org/10.1016/j.ijplas.2014.02.001	journal	June 2014
Assessment of advanced Taylor models, the Taylor factor and yield-surface exponent for FCC metals Zhang, K.; Holmedal, B.; Mánik, T. International Journal of Plasticity, Vol. 114 https://doi.org/10.1016/j.ijplas.2018.10.015	journal	March 2019
On the coupling of damage and single crystal plasticity for ductile polycrystalline materials Frodal, Bjørn Håkon; Thomesen, Susanne; Børvik, Tore International Journal of Plasticity, Vol. 142 https://doi.org/10.1016/j.ijplas.2021.102996	journal	July 2021
A yield function for single crystals containing voids Han, X.; Besson, J.; Forest, S. International Journal of Solids and Structures, Vol. 50, Issue 14-15 https://doi.org/10.1016/j.ijsolstr.2013.02.005	journal	July 2013
Numerical implementation of non-local polycrystal plasticity using fast Fourier transforms Lebensohn, Ricardo A.; Needleman, Alan Journal of the Mechanics and Physics of Solids, Vol. 97 https://doi.org/10.1016/j.jmps.2016.03.023	journal	December 2016
A unified phase-field theory for the mechanics of damage and quasi-brittle failure Wu, Jian-Ying Journal of the Mechanics and Physics of Solids, Vol. 103 https://doi.org/10.1016/j.jmps.2017.03.015	journal	June 2017
Particle size effects in ductile composites: An FFT homogenization study Magri, M.; Adam, L.; Segurado, J. Journal of the Mechanics and Physics of Solids, Vol. 160 https://doi.org/10.1016/j.jmps.2021.104759	journal	March 2022
New large-strain FFT-based formulation and its application to model strain localization in nano-metallic laminates and other strongly anisotropic crystalline materials Zecevic, Miroslav; Lebensohn, Ricardo A.; Capolungo, Laurent Mechanics of Materials, Vol. 166 https://doi.org/10.1016/j.mechmat.2021.104208	journal	March 2022
Effect of annealing twins on Hall–Petch relation in polycrystalline materials Pande, C. S.; Rath, B. B.; Imam, M. A. Materials Science and Engineering: A, Vol. 367, Issue 1-2 https://doi.org/10.1016/j.msea.2003.09.100	journal	February 2004
Reconstruction methods and analysis of subsurface uncertainty for anisotropic microstructures Nicolas, Andrea; Mello, Alberto W.; Sun, Yiwei Materials Science and Engineering: A, Vol. 760 https://doi.org/10.1016/j.msea.2019.05.089	journal	July 2019
SciPy 1.0: fundamental algorithms for scientific computing in Python Virtanen, Pauli; Gommers, Ralf; Oliphant, Travis E. Nature Methods https://doi.org/10.1038/s41592-019-0686-2	journal	February 2020
Continuum Theory for Strain‐Softening Bažant, Zdeněk P.; Belytschko, Ted B.; Chang, Ta‐Peng Journal of Engineering Mechanics, Vol. 110, Issue 12 https://doi.org/10.1061/(ASCE)0733-9399(1984)110:12(1666)	journal	December 1984
Nonlocal Integral Formulations of Plasticity and Damage: Survey of Progress Bažant, Zdeněk P.; Jirásek, Milan Journal of Engineering Mechanics, Vol. 128, Issue 11 https://doi.org/10.1061/(ASCE)0733-9399(2002)128:11(1119)	journal	November 2002
Non local damage model Pijaudier-Cabot, Gilles; Dufour, Frédéric European Journal of Environmental and Civil Engineering, Vol. 14, Issue 6-7 https://doi.org/10.1080/19648189.2010.9693260	journal	June 2010
FFT based approaches in micromechanics: fundamentals, methods and applications Lucarini, S.; Upadhyay, M. V.; Segurado, J. Modelling and Simulation in Materials Science and Engineering, Vol. 30, Issue 2 https://doi.org/10.1088/1361-651X/ac34e1	journal	December 2021
Temperature Variation of the Elastic Constants of Cubic Elements. I. Copper Overton, W. C.; Gaffney, John Physical Review, Vol. 98, Issue 4 https://doi.org/10.1103/PhysRev.98.969	journal	May 1955
The Design and Implementation of FFTW3 Frigo, M.; Johnson, S. G. Proceedings of the IEEE, Vol. 93, Issue 2 https://doi.org/10.1109/JPROC.2004.840301	journal	February 2005
Nonlocal Continuum Damage, Localization Instability and Convergence Bazˇant, Zdeneˇk P.; Pijaudier-Cabot, Gilles Journal of Applied Mechanics, Vol. 55, Issue 2 https://doi.org/10.1115/1.3173674	journal	June 1988
On the Microstructural Origin of Certain Inelastic Models Aifantis, E. C. Journal of Engineering Materials and Technology, Vol. 106, Issue 4 https://doi.org/10.1115/1.3225725	journal	October 1984
A Continuous Damage Mechanics Model for Ductile Fracture Lemaitre, Jean Journal of Engineering Materials and Technology, Vol. 107, Issue 1 https://doi.org/10.1115/1.3225775	journal	January 1985
Continuum Theory of Ductile Rupture by Void Nucleation and Growth: Part I—Yield Criteria and Flow Rules for Porous Ductile Media Gurson, A. L. Journal of Engineering Materials and Technology, Vol. 99, Issue 1 https://doi.org/10.1115/1.3443401	journal	January 1977
A Criterion for Ductile Fracture by the Growth of Holes McClintock, F. A. Journal of Applied Mechanics, Vol. 35, Issue 2 https://doi.org/10.1115/1.3601204	journal	June 1968
DREAM.3D: A Digital Representation Environment for the Analysis of Microstructure in 3D Groeber, Michael A.; Jackson, Michael A. Integrating Materials and Manufacturing Innovation, Vol. 3, Issue 1 https://doi.org/10.1186/2193-9772-3-5	journal	April 2014
FFT-based interface decohesion modelling by a nonlocal interphase Sharma, Luv; Peerlings, Ron H. J.; Shanthraj, Pratheek Advanced Modeling and Simulation in Engineering Sciences, Vol. 5, Issue 1 https://doi.org/10.1186/s40323-018-0100-0	journal	April 2018

Similar Records

New large-strain FFT-based formulation and its application to model strain localization in nano-metallic laminates and other strongly anisotropic crystalline materials

Journal Article · Mon Jan 03 19:00:00 EST 2022 · Mechanics of Materials · OSTI ID:1844163

Generalized grain boundary constitutive description implemented in a strain-gradient large-strain FFT-based formulation: Application to nano-metallic laminates

Journal Article · Wed Sep 11 20:00:00 EDT 2024 · Journal of the Mechanics and Physics of Solids · OSTI ID:2446817

Non-local large-strain FFT-based formulation and its application to interface-dominated plasticity of nano-metallic laminates

Journal Article · Thu Dec 22 19:00:00 EST 2022 · Journal of the Mechanics and Physics of Solids · OSTI ID:1908481

Related Subjects

36 MATERIALS SCIENCE
Crystal plasticity
Ductility
Finite strain Continuum Damage Mechanics (CDM)
Microstructures

Implementation and experimental validation of nonlocal damage in a large-strain elasto-viscoplastic FFT-based framework for predicting ductile fracture in 3D polycrystalline materials

Citation Formats

References (66)

Similar Records

Related Subjects