DAMASK — the Düsseldorf Advanced Material Simulation Kit

Purpose

At the core of DAMASK is a flexible and hierarchically structured model of material point behavior for the solution of elastoplastic boundary value problems along with damage and thermal physics. Its main purpose is the simulation of crystal plasticity within a finite-strain continuum mechanical framework.

Crystal plasticity

A proper description of plastic deformation in polycrystalline materials (in particular metals) has to take into account the multiscalar hierarchy inherent in this process. At the component engineering scale a valid material description is sought. This is not straightforward in case of appreciably textured and/or multiphase materials and along variable loading paths. The reason is the strongly anisotropic plastic response of each individual grain in the polycrystalline aggregate, thus complicating the problem by many-body interactions. As a necessary basis for its solution, the physical mechanisms that carry the plastic response have to be captured and incorporated to sufficient accuracy at the scale of the individual crystallite.

Figure 1: schematic representation of the hierarchy at a material point.

Image sources: door panel, polygrains, discrete dislocation simulation

The overall simulation task can thus be conceptually split to four essential levels as illustrated in Figure 1 from top to bottom: To arrive (under given boundary conditions) at a solution for equilibrium and compatibility in a finite strain formalism one requires the connection between the deformation gradient $ \bar{\tnsr F} $ and the (first Piola—Kirchhoff) stress $\bar{\tnsr P}$ at each discrete material point. Provided the material point scale comprises multiple grains, a partitioning of deformation $\tnsr F$ and stress $\tnsr P$ among these constituents has to be found at level two. At the third level, a numerically efficient and robust solution to the elastoplastic straining, i.e. $\dot{\tnsr F}_\text e$ and $\dot{\tnsr F}_\text p$, is calculated. This, finally, depends on the actual elastic and plastic constitutive laws. The former links the elastic deformation $\tnsr F_\text e$ to the (second Piola—Kirchhoff) stress $\tnsr S$. The latter keeps track of the grain microstructure on the basis of internal variables and considers any relevant deformation mechanism(s) to provide the plastic velocity gradient $\tnsr L_\text p$ driven by $\tnsr S$. Both are incorporated as the fourth level in the hierarchy.

The flow of information from the topmost problem down to the (crystal) plasticity constitutive response and back can be restricted to very few items as (partly) shown in Figure 1. That decoupling between all four levels is exploited in the implementation of DAMASK and enables one to easily combine different alternatives per each level. Examples for this flexibility would be the exchange of the boundary value problem solver (e.g., MSC.Marc, Abaqus, etc.) or mixing multiple polycrystal homogenization schemes and constitutive laws in one simulation.

Suggested reading

There is no single publication that covers all aspects of DAMASK.

  • The concept is presented in this conference paper:

    F. Roters, P. Eisenlohr, C. Kords, D.D. Tjahjanto, M. Diehl, D. Raabe
    DAMASK: the Düsseldorf Advanced MAterial Simulation Kit for studying crystal plasticity using an FE based or a spectral numerical solver
    IUTAM Symposium on Linking Scales in Computations: From Microstructure to Macro-scale Properties, Procedia IUTAM 3 (2012), 3—10
    Online version (Open Access)

  • The habilitation thesis of Franz Roters covers an earlier version not yet called DAMASK:

    F. Roters
    Advanced material models for the crystal plasticity finite element method: development of a general CPFEM framework
    Habilitationsschrift RWTH Aachen (2011), Fakultät für Georessourcen und Materialtechnik
    Download from the RWTH Aachen library server (Open Access)

  • If you are interested in Crystal Plasticity (FEM) in general you might want to read:

    F. Roters, P. Eisenlohr, L. Hantcherli, D.D. Tjahjanto, T.R. Bieler, D. Raabe
    Overview of constitutive laws, kinematics, homogenization and multiscale methods in crystal plasticity finite-element modeling: Theory, experiments, applications
    Acta Materialia 58 (2010), 1152—1211
    Online version

    F. Roters, P. Eisenlohr, T.R. Bieler, D. Raabe
    Crystal Plasticity Finite Element Methods in Materials Science and Engineering
    Wiley-VCH, 2010
    ISBN: 978-3-527-32447-7

  • Details of the implemented constitutive models for plasticity can be found in:

    A. Alankar, P. Eisenlohr, D. Raabe
    A dislocation density-based crystal plasticity constitutive model for prismatic slip in α-titanium
    Acta Materialia 59-18 (2011), 7003—7009
    Online version

    N. Jia, F. Roters, P. Eisenlohr, D. Raabe
    Non-crystallographic shear banding in crystal plasticity FEM simulations: Example of texture evolution in α-brass
    Acta Materialia 60-3 (2012), 1099—1115
    Online version

    C. Reuber, P. Eisenlohr, F. Roters, D. Raabe
    Dislocation density distribution around an indent in single-crystalline nickel: Comparing nonlocal crystal plasticity finite-element predictions with experiments
    Acta Materialia 71 (2014), 333—348
    Online version

    C. Kords
    On the role of dislocation transport in the constitutive description of crystal plasticity
    Dissertation RWTH Aachen (2013), Fakultät für Georessourcen und Materialtechnik
    Download from the RWTH Aachen library server (Open Access)

    D. Cereceda, M. Diehl, F. Roters, D. Raabe, J.M. Perlado, J. Marian
    Unraveling the temperature dependence of the yield strength in single-crystal tungsten using atomistically-informed crystal plasticity calculations
    International Journal of Plasticity 78 (2016), 242—265
    Online version

    D. Cereceda, M. Diehl, F. Roters, P. Shanthraj, D. Raabe, J.M. Perlado, J. Marian
    Linking atomistic, kinetic Monte Carlo and crystal plasticity simulations of single-crystal Tungsten strength
    GAMM-Mitteilungen 38-2 (2015), 213—227
    Online version

    S.L. Wong, M. Madivala, U. Prahl, F. Roters, D. Raabe
    A crystal plasticity model for twinning- and transformation-induced plasticity
    Acta Materialia 118 (2016), 140—151
    Online version

    T. Maiti, P. Eisenlohr
    Fourier-based spectral method solution to finite strain crystal plasticity with free surfaces
    Scripta Materialia 145 (2018), 37—40
    Online version

  • The following publications cover tools for large scale simulations (mechanical homogenization):

    P. Eisenlohr, F. Roters
    Selecting sets of discrete orientations for accurate texture reconstruction
    Computational Materials Science 42 (2008) 670—678
    Online version

    D.D. Tjahjanto, P. Eisenlohr, F. Roters
    A novel grain cluster-based homogenization scheme
    Modelling and Simulation in Materials Science and Engineering 18 (2010) 015006
    Online version

  • The spectral solver shipped with DAMASK is explained in:

    P. Eisenlohr, M. Diehl, R.A. Lebensohn, F. Roters
    A spectral method solution to crystal elasto-viscoplasticity at finite strains
    International Journal of Plasticity 46 (2013), 37—53
    Online version

    P. Shanthraj, P. Eisenlohr, M. Diehl, F. Roters
    Numerically robust spectral methods for crystal plasticity simulations of heterogeneous materials
    International Journal of Plasticity 66 (2015), 31—45
    Online version

  • Details of the models for damage and fracture are outlined in:

    P. Shanthraj, L. Sharma, B. Svendsen, F. Roters, D. Raabe
    A phase field model for damage in elasto-viscoplastic materials
    Computer Methods in Applied Mechanics and Engineering 312 (2016), 167—185
    Online version

    P. Shanthraj, B. Svendsen, L. Sharma, F. Roters, D. Raabe
    Elasto—viscoplastic phase field modelling of anisotropic cleavage fracture
    Journal of the Mechanics and Physics of Solids 99 (2017), 19—34
    Online version

  • The following publication covers handling of large and heterogeneous data resulting from DAMASK simulations:

    M. Diehl, P. Eisenlohr, C. Zhang, J. Nastola, P. Shanthraj, F. Roters
    A Flexible and Efficient Output File Format for Grain-Scale Multiphysics Simulations
    Integrating Materials and Manufacturing Innovation 6-1 (2017), 83—91
    Online version (Open Access)
    Via Springer Nature SharedIt initiative

  • The following publications are (partly) based on simulations done with DAMASK:

    A. Nonn, A.R. Cerrone, C. Stallybrass, H. Meuser
    Microstructure-based modeling of high-strength linepipe steels
    6. International Pipeline Technology Conference, Ostend Belgium. 6-9 October 2013
    Online version

    O. Güvenc, T. Henke, G. Laschet, B. Böttger, M. Apel, M. Bambach, G. Hirt
    Modeling of static recrystallization kinetics by coupling crystal plasticity FEM and multiphase field calculations
    Computer Methods in Materials Science 13-2 (2013), 368—374
    Online version (Open Access)

    F. Meier, C. Schwarz, E. Werner
    Crystal-plasticity based thermo-mechanical modeling of Al-components in integrated circuits
    Computational Materials Science 94 (2014), 122—131
    Online version

    C.C. Tasan, J.P.M. Hoefnagels, M. Diehl, D. Yan, F. Roters, D. Raabe
    Strain localization and damage in dual phase steels investigated by coupled in-situ deformation experiments-crystal plasticity simulations
    International Journal of Plasticity 63 (2014), 198—210
    Online version

    C.C. Tasan, M. Diehl, D. Yan, C. Zambaldi, P. Shanthraj, F. Roters, D. Raabe
    Integrated experimental-numerical analysis of stress and strain partitioning in multi-phase alloys
    Acta Materialia 81 (2014), 386—400
    Online version

    F Wang, S. Sandlöbes, M. Diehl, L. Sharma, F. Roters, D. Raabe
    In situ observation of collective grain-scale mechanics in Mg and Mg—rare earth alloys
    Acta Materialia 80 (2014), 77—93
    Online version

    C. Zhang, H. Li, P. Eisenlohr, W. Liu, C.J. Boehlert, M.A. Crimp, T.R. Bieler
    Effect of realistic 3D microstructure in crystal plasticity finite element analysis of polycrystalline Ti-5Al-2.5Sn
    International Journal of Plasticity 69 (2015), 21—35
    Online version

    D. Ma, P. Eisenlohr, P. Shanthraj, M. Diehl, F. Roters, D. Raabe
    Analytical bounds of in-plane Young's modulus and full-field simulations of two-dimensional monocrystalline stochastic honeycomb structures
    Computational Materials Science 109 (2015), 323—329
    Online version

    N. Grilli, K.G.F. Janssens, H. Van Swygenhoven
    Crystal plasticity finite element modelling of low cycle fatigue in fcc metals
    Journal of the Mechanics and Physics of Solids 84 (2015), 424—435
    Online version

    D.D. Tjahjanto, P. Eisenlohr, F. Roters
    Multiscale deep drawing analysis of dual-phase steels using grain cluster-based RGC scheme
    Modelling and Simulation in Materials Science and Engineering 23 (2015), 045005
    Online version

    C. Zhang, H. Li, P. Eisenlohr, W. Liu, C.J. Boehlert, M.A. Crimp, T.R. Bieler
    Effect of realistic 3D microstructure in crystal plasticity finite element analysis of polycrystalline Ti-5Al-2.5Sn
    International Journal of Plasticity 69 (2015), 21—35
    Online version

    D. Ma, P. Eisenlohr, E. Epler, C.A. Volkert, P. Shanthraj, M. Diehl, F. Roters, D. Raabe
    Crystal plasticity study of monocrystalline stochastic honeycombs under in-plane compression
    Acta Materialia 103 (2016), 796—808
    Online version

    H. Zhang, M. Diehl, F. Roters, D. Raabe
    A virtual laboratory for initial yield surface determination using high resolution crystal plasticity simulations
    International Journal of Plasticity 80 (2016), 111—138
    Online version

    M. Diehl, P. Shanthraj, P. Eisenlohr, F. Roters
    Neighborhood influences on stress and strain partitioning in dual-phase microstructures. An investigation on synthetic polycrystals with a robust spectral-based numerical method
    Meccanica 51-2 (2016), 429—441
    Online version

    A. Ebrahimi, T. Hochrainer
    Three-Dimensional Continuum Dislocation Dynamics Simulations of Dislocation Structure Evolution in Bending of a Micro-Beam
    MRS Advances 1-24 (2016), 1791—1796
    Online version

    X. Wu, D. Ma, P. Eisenlohr, D. Raabe, H.-O. Fabritius
    From insect scales to sensor design: modelling the mechanochromic properties of bicontinuous cubic structures
    Bioinspiration & Biomimetics 11-4 (2016), 045001
    Online version

    Y. Su, C. Zambaldi, D. Mercier, P. Eisenlohr, T.R. Bieler, M.A. Crimp
    Quantifying deformation processes near grain boundaries in α titanium using nanoindentation and crystal plasticity modeling
    International Journal of Plasticity 86 (2016), 170—186
    Online version

    M. Diehl
    High-Resolution Crystal Plasticity Simulations
    Dissertation RWTH Aachen (2016), Fakultät für Georessourcen und Materialtechnik
    Apprimus Wissenschaftsverlag, 2016
    ISBN: 978-3-86359-392-6

    M. Lin, U. Prahl
    A parallelized model for coupled phase field and crystal plasticity simulation
    Computer Methods in Materials Science 16-3 (2016), 156—162
    Online version

    M. Diehl, M. Groeber, C. Haase, D.A. Molodov, F. Roters, D. Raabe
    Identifying Structure–Property Relationships Through DREAM.3D Representative Volume Elements and DAMASK Crystal Plasticity Simulations: An Integrated Computational Materials Engineering Approach
    JOM 69-5 (2017), 848—855
    Online version (Open Access)
    Via Springer Nature SharedIt initiative

    M. Diehl, M. Wicke, P. Shanthraj, F. Roters, A. Brueckner-Foit, D. Raabe
    Coupled Crystal Plasticity–Phase Field Fracture Simulation Study on Damage Evolution Around a Void: Pore Shape Versus Crystallographic Orientation
    JOM 69-5 (2017), 872—878
    Online version (Open Access)
    Via Springer Nature SharedIt initiative

    M. Stricker
    Die Übertragung von mikrostrukturellen Eigenschaften aus der diskreten Versetzungsdynamik in Kontinuumsbeschreibungen
    Dissertation KIT (2017), Fakultät für Maschinenbau
    Download from the KIT library server (Open Access)

    A. Irastorza-Landa, N. Grilli, H. Van Swygenhoven
    Laue micro-diffraction and crystal plasticity finite element simulations to reveal a vein structure in fatigued Cu
    Journal of the Mechanics and Physics of Solids 104 (2017), 157—171
    Online version (Open Access)

    M. Diehl, D. An, P. Shanthraj, S. Zaefferer, F. Roters, D. Raabe
    Crystal Plasticity Study on Stress and Strain Partitioning in a Measured 3D Dual Phase Steel Microstructure
    Physical Mesomechanics 20-3 (2017), 311—323
    Online version

    P. Jagtap, A. Chakraborty, P. Eisenlohr, P. Kumar
    Identification of whisker grain in Sn coatings by analyzing crystallographic micro-texture using electron back-scatter diffraction
    Acta Materialia 134 (2017), 346—359
    Online version

    A. Chakraborty, P. Eisenlohr
    Evaluation of an inverse methodology for estimating constitutive parameters in face-centered cubic materials from single crystal indentations
    European Journal of Mechanics - A/Solids 66 (2017), 114—124
    Online version

    N. Grilli, K.G.F. Janssens, J. Nellessen, S. Sandlöbes, D. Raabe
    Multiple slip dislocation patterning in a dislocation-based crystal plasticity finite element method
    International Journal of Plasticity (2017)
    Online version

    M. Isaenkova, Y. Perlovich, D. Zhuk, O. Krymskaya
    Crystal plasticity simulation of Zirconium tube rolling using multi-grain representative volume element
    AIP Conference Proceedings 1896 (2017), 160023
    Online version (Open Access)

Topic revision: r60 - 14 Dec 2017, MartinDiehl


  • News
01 Sep 2016
CMCn2016 & DAMASK user meeting to be hosted at Max-Planck-Institut für Eisenforschung
25 Jul 2016
Release of version v2.0.1
08 Mar 2016
Release of version v2.0.0
22 Feb 2016
New webserver up and running
09 Feb 2016
Migrated code repository from Subversion to GitLab
17 Dec 2014
Release of revision 3813
14 May 2014
Release of revision 3108
02 Apr 2014
Release of revision 3062
16 Oct 2013
Release of revision 2689
15 Jul 2013
Release of revision 2555
15 Feb 2013
Release of revision 2174
13 Feb 2013
Doxygen documentation
16 Dec 2012
Powered by MathJax rendering
23 Nov 2012
Release of revision 1955
15 Nov 2012
Release of revision 1924
01 Nov 2012
Updated sidebar
30 Oct 2012
Significant website updates and content extensions


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