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.
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
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
- 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 unstructured data:
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
- 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
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
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
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)
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)