DAMASK_EICMD/code/config/material.config

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#####################
# $Id$
#####################
#-------------------#
<homogenization>
#-------------------#
[SX]
type isostrain
Ngrains 1
[Grain_Cluster]
type RGC
ngrains 8
clustersize 2 2 2 # product of these numbers must be equal to ngrains(!)
clusterorientation 0.0 0.0 0.0 # orientation of cluster in terms of 313 Euler-angles in degree (random if not present)
# clusterorientation 0.0 26.57 0.0 # [012]
# clusterorientation 0.0 45.00 0.0 # [011]
# clusterorientation 0.0 26.57 24.10 # [112]
# clusterorientation 0.0 45.00 19.47 # [122]
# clusterorientation 0.0 45.00 35.26 # [111]
grainsize 4.0e-6 4.0e-6 2.0e-6 # in [m]
overproportionality 2.0e+0 # typical range between 0.001 to 1000
scalingparameter 1.0e+1 # typical range between 0.001 to 1000
(output) constitutivework
(output) magnitudemismatch
(output) penaltyenergy
(output) volumediscrepancy
(output) averagerelaxrate
(output) maximumrelaxrate
[Taylor2]
type isostrain
Ngrains 2
#-------------------#
<microstructure>
#-------------------#
[Aluminum_j2]
crystallite 2
(constituent) phase 1 texture 2 fraction 1.0
[Aluminum_pheno_Poly]
/elementhomogeneous/ # put this flag to set ips identical in one element (something like reduced integration)
crystallite 2
(constituent) phase 2 texture 2 fraction 1.0
[Aluminum_nonlocal_001]
crystallite 2
(constituent) phase 3 texture 3 fraction 1.0
[DP_Steel]
/elementhomogeneous/
crystallite 2
(constituent) phase 4 texture 1 fraction 0.82
(constituent) phase 5 texture 1 fraction 0.18
#-------------------#
<crystallite>
#-------------------#
[none]
[aLittleSomething]
(output) f
(output) p
[all]
(output) phase
(output) texture
(output) volume
(output) orientation # quaternion
(output) eulerangles # orientation as Bunge triple
(output) grainrotation # deviation from initial orientation as axis (1-3) and angle in degree (4)
(output) f # deformation gradient tensor; synonyms: "defgrad"
(output) fe # elastic deformation gradient tensor
(output) fp # plastic deformation gradient tensor
(output) e # total strain as Green-Lagrange tensor
(output) ee # elastic strain as Green-Lagrange tensor
(output) p # first Piola-Kichhoff stress tensor; synonyms: "firstpiola", "1stpiola"
(output) s # second Piola-Kichhoff stress tensor; synonyms: "tstar", "secondpiola", "2ndpiola"
(output) lp # plastic velocity gradient tensor
#-------------------#
<phase>
#-------------------#
[Aluminum_J2isotropic]
constitution j2
(output) flowstress
(output) strainrate
c11 110.9e9
c12 58.34e9
taylorfactor 3
tau0 31e6
gdot0 0.001
n 20
h0 75e6
tausat 63e6
a 2.25
atol_resistance 1
[Aluminum_phenopowerlaw]
# slip only
constitution phenopowerlaw
(output) resistance_slip
(output) shearrate_slip
(output) resolvedstress_slip
(output) totalshear
(output) resistance_twin
(output) shearrate_twin
(output) resolvedstress_twin
(output) totalvolfrac
lattice_structure fcc
Nslip 12 0 0 0 # per family
Ntwin 0 0 0 0 # per family
c11 106.75e9
c12 60.41e9
c44 28.34e9
gdot0_slip 0.001
n_slip 20
tau0_slip 31e6 # per family
tausat_slip 63e6 # per family
a_slip 2.25
gdot0_twin 0.001
n_twin 20
tau0_twin 31e6 # per family
s_pr 0 # push-up factor for slip saturation due to twinning
twin_b 0
twin_c 0
twin_d 0
twin_e 0
h0_slipslip 75e6
h0_sliptwin 0
h0_twinslip 0
h0_twintwin 0
interaction_slipslip 1 1 1.4 1.4 1.4 1.4
interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
atol_resistance 1
[Aluminum_nonlocal]
constitution nonlocal
/nonlocal/
(output) rho
(output) rho_edge
(output) rho_screw
(output) rho_sgl
(output) rho_sgl_edge
(output) rho_sgl_edge_pos
(output) rho_sgl_edge_neg
(output) rho_sgl_screw
(output) rho_sgl_screw_pos
(output) rho_sgl_screw_neg
(output) rho_sgl_mobile
(output) rho_sgl_edge_mobile
(output) rho_sgl_edge_pos_mobile
(output) rho_sgl_edge_neg_mobile
(output) rho_sgl_screw_mobile
(output) rho_sgl_screw_pos_mobile
(output) rho_sgl_screw_neg_mobile
(output) rho_sgl_immobile
(output) rho_sgl_edge_immobile
(output) rho_sgl_edge_pos_immobile
(output) rho_sgl_edge_neg_immobile
(output) rho_sgl_screw_immobile
(output) rho_sgl_screw_pos_immobile
(output) rho_sgl_screw_neg_immobile
(output) rho_dip
(output) rho_dip_edge
(output) rho_dip_screw
(output) excess_rho
(output) excess_rho_edge
(output) excess_rho_screw
(output) rho_forest
(output) delta
(output) delta_sgl
(output) delta_dip
(output) shearrate
(output) resolvedstress
(output) resolvedstress_back
(output) resolvedstress_external
(output) resistance
(output) rho_dot
(output) rho_dot_sgl
(output) rho_dot_dip
(output) rho_dot_gen
(output) rho_dot_gen_edge
(output) rho_dot_gen_screw
(output) rho_dot_sgl2dip
(output) rho_dot_ann_ath
(output) rho_dot_ann_the
(output) rho_dot_flux
(output) rho_dot_flux_edge
(output) rho_dot_flux_screw
(output) velocity_edge_pos
(output) velocity_edge_neg
(output) velocity_screw_pos
(output) velocity_screw_neg
(output) fluxDensity_edge_pos_x
(output) fluxDensity_edge_pos_y
(output) fluxDensity_edge_pos_z
(output) fluxDensity_edge_neg_x
(output) fluxDensity_edge_neg_y
(output) fluxDensity_edge_neg_z
(output) fluxDensity_screw_pos_x
(output) fluxDensity_screw_pos_y
(output) fluxDensity_screw_pos_z
(output) fluxDensity_screw_neg_x
(output) fluxDensity_screw_neg_y
(output) fluxDensity_screw_neg_z
(output) maximumDipoleHeight_edge
(output) maximumDipoleHeight_screw
(output) accumulatedshear
(output) dislocationstress
lattice_structure fcc
Nslip 12 # number of slip systems
c11 106.75e9 # elastic constants
c12 60.41e9
c44 28.34e9
burgers 2.86e-10 # Burgers vector in m
rhoSglEdgePos0 0.25e10 # Initial positive edge single dislocation density in m/m**3 (per slip family)
rhoSglEdgeNeg0 0.25e10 # Initial negative edge single dislocation density in m/m**3 (per slip family)
rhoSglScrewPos0 0.25e10 # Initial positive screw single dislocation density in m/m**3 (per slip family)
rhoSglScrewNeg0 0.25e10 # Initial negative screw single dislocation density in m/m**3 (per slip family)
rhoDipEdge0 1e8 # Initial edge dipole dislocation density in m/m**3 (per slip family)
rhoDipScrew0 1e8 # Initial screw dipole dislocation density in m/m**3 (per slip family)
rhoSglScatter 0 # standard deviation of scatter in initial single dislocation density
cutoffRadius 1e-3 # cutoff radius for dislocation stress in m
minimumDipoleHeightEdge 2e-9 # minimum distance for stable edge dipoles in m (per slip family)
minimumDipoleHeightScrew 2e-9 # minimum distance for stable screw dipoles in m (per slip family)
lambda0 80 # prefactor for mean free path
atomicVolume 1.7e-29 # atomic volume in m**3
selfdiffusionPrefactor 1e-4 # prefactor for self-diffusion coefficient in m**2/s
selfdiffusionEnergy 2.3e-19 # activation enthalpy for seld-diffusion in J
solidSolutionEnergy 2e-19 # activation energy of solid solution particles in J
solidSolutionConcentration 1e-5 # concentration of solid solution in parts per b^3
solidSolutionSize 2 # size of solid solution obstacles in multiples of burgers vector length
peierlsStressEdge 1e5 # Peierls stress for edges in Pa (per slip family)
peierlsStressScrew 1e5 # Peierls stress for screws in Pa (per slip family)
doublekinkWidth 10 # width of double kinks in multiples of burgers vector length b
viscosity 1e-4 # viscosity for dislocation glide in Pa s
p 1 # exponent for thermal barrier profile
q 1 # exponent for thermal barrier profile
attackFrequency 50e9 # attack frequency in Hz
surfaceTransmissivity 1.0 # transmissivity of free surfaces for dislocation flux
atol_rho 1e3 # dislocation density considered relevant in m/m**3
interaction_SlipSlip 0.122 0.122 0.625 0.07 0.137 0.122 # Dislocation interaction coefficient
[BCC_Ferrite]
constitution phenopowerlaw
lattice_structure bcc
Nslip 12 0 0 0 # per family
Ntwin 0 0 0 0 # per family
c11 233.3e9
c12 135.5e9
c44 118.0e9
gdot0_slip 0.001
n_slip 20
tau0_slip 88.0e6 0 0 0 # per family
tausat_slip 205.0e6 0 0 0 # per family
gdot0_twin 0.001
n_twin 20
tau0_twin 31.0e6 0 0 0 # per family
s_pr 0 # push-up factor for slip saturation due to twinning
twin_b 0
twin_c 0
twin_d 0
twin_e 0
h0_slipslip 495.0e6
h0_sliptwin 0
h0_twinslip 0
h0_twintwin 0
interaction_slipslip 1 1 1.4 1.4 1.4 1.4
interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
a_slip 1.0
atol_resistance 1
[BCC_Martensite]
constitution phenopowerlaw
lattice_structure bcc
Nslip 12 0 0 0 # per family
Ntwin 0 0 0 0 # per family
c11 417.4e9
c12 242.4e9
c44 211.1e9
gdot0_slip 0.001
n_slip 20
tau0_slip 575.00e6 0 0 0 # 460.0e6 # per family
tausat_slip 1280.0e6 0 0 0 # 1020.0e6 # per family
gdot0_twin 0.001
n_twin 20
tau0_twin 31.0e6 0 0 0 # per family
s_pr 0 # push-up factor for slip saturation due to twinning
twin_b 0
twin_c 0
twin_d 0
twin_e 0
h0_slipslip 53500.0e6 # 35000.0e6
h0_sliptwin 0
h0_twinslip 0
h0_twintwin 0
interaction_slipslip 1 1 1.4 1.4 1.4 1.4
interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
a_slip 2.0
atol_resistance 1
[TWIP steel FeMnC]
constitution dislotwin
#(output) edge_density
#(output) dipole_density
#(output) shear_rate_slip
#(output) mfp_slip
#(output) resolved_stress_slip
#(output) threshold_stress_slip
#(output) twin_fraction
#(output) shear_rate_twin
#(output) mfp_twin
#(output) resolved_stress_twin
#(output) threshold_stress_twin
#(output) shear_rate_shearband
#(output) resolved_stress_shearband
#(output) schmid_factor_shearband
#(output) sb_eigenvalues
#(output) sb_eigenvectors
### Material parameters ###
lattice_structure fcc
C11 175.0e9 # From Music et al. Applied Physics Letters 91, 191904 (2007)
C12 115.0e9
C44 135.0e9
grainsize 2.0e-5 # Average grain size [m]
SolidSolutionStrength 1.5e8 # Strength due to elements in solid solution
### Dislocation glide parameters ###
Nslip 12 0 0 0
slipburgers 2.56e-10 0 0 0 # Burgers vector of slip system [m]
rhoedge0 1.0e12 0 0 0 # Initial dislocation density [m/m**3]
rhoedgedip0 1.0 0 0 0 # Initial dislocation density [m/m**3]
Qedge 3.7e-19 0 0 0 # Activation energy for dislocation glide [J]
v0 1.0e-4 0 0 0 # Initial glide velocity [m/s]
CLambdaSlip 10.0 0 0 0 # Adj. parameter controlling dislocation mean free path
D0 4.0e-5 # Vacancy diffusion prefactor [m**2/s]
Qsd 4.5e-19 # Activation energy for climb [J]
pexponent 1.0 # p-exponent in glide velocity
qexponent 1.0 # q-exponent in glide velocity
Catomicvolume 1.0 # Adj. parameter controlling the atomic volume [in b]
Cedgedipmindistance 1.0 # Adj. parameter controlling the minimum dipole distance [in b]
atol_rho 1.0e-200
interactionSlipSlip 0.122 0.122 0.625 0.07 0.137 0.122 # Interaction coefficients (Kubin et al. 2008)
### Shearband parameters ###
shearbandresistance 180e6
shearbandvelocity 1e-4
### Twinning parameters ###
Ntwin 12
twinburgers 1.47e-10 # Burgers vector of twin system [m]
twinsize 5.0e-8 # Twin stack mean thickness [m]
L0 442.0 # Length of twin nuclei in Burgers vectors
maxtwinfraction 1.0 # Maximum admissible twin volume fraction
Ndot0 0.0 # Number of potential sources per volume per time [1/m**3.s]
rexponent 10.0 # r-exponent in twin formation probability
Cmfptwin 1.0 # Adj. parameter controlling twin mean free path
Cthresholdtwin 1.0 # Adj. parameter controlling twin threshold stress
interactionSlipTwin 0.0 1.0 # Dislocation-Twin interaction coefficients
interactionTwinTwin 0.0 1.0 # Twin-Twin interaction coefficients
SFE_0K -0.0396 # stacking fault energy at zero K; TWIP steel: -0.0526; Cu: -0.0396
dSFE_dT 0.0002 # temperature dependance of stacking fault energy
#-------------------#
<texture>
#-------------------#
[Rolling]
hybridIA DP_EBSD.linearODF
symmetry orthotropic # or monoclinic
[random]
[001]
(gauss) phi1 0.000 Phi 0.000 phi2 0.000 scatter 0.000 fraction 1.000
[101]
(gauss) phi1 0.000 Phi 45.000 phi2 90.000 scatter 0.000 fraction 1.000
[111]
(gauss) phi1 0.000 Phi 54.7356 phi2 45.000 scatter 0.000 fraction 1.000
[123]
(gauss) phi1 209.805 Phi 29.206 phi2 63.435 scatter 0.000 fraction 1.000
[fiber example]
# fiber axis in spherical coordinates: alpha crystal system, beta sample system
(fiber) alpha1 123 alpha2 123 beta1 12 beta2 45 scatter 15 fraction 0.333
[random single crystals]
(random) scatter 0.000 fraction 1.000