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split up material.config and added a small helper script to create wiki content from all material.configS 

(Work done by Luv, just his TortoiseSVN is not yet installed)
This commit is contained in:
Martin Diehl 2013-11-27 17:49:34 +00:00
parent 0bc99a9622
commit 345e5cd47c
25 changed files with 503 additions and 546 deletions
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21
code/config/Crystallite_All.config Normal file
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### $Id$ ###
[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) in crystal reference coordinates
(output) grainrotationx # deviation from initial orientation as angle in degrees around sample reference x axis
(output) grainrotationy # deviation from initial orientation as angle in degrees around sample reference y axis
(output) grainrotationz # deviation from initial orientation as angle in degrees around sample reference z axis
(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
(output) elasmatrix # elastic stiffness matrix
(output) ipcoords # current ip coordinates

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code/config/Crystallite_None.config Normal file
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### $Id$ ###
[none]

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code/config/Crystallite_aLittleSomething.config Normal file
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### $Id$ ###
[aLittleSomething]
(output) f
(output) p

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code/config/Homogenization_Isostrain_Parallel3.config Normal file
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### $Id$ ###
[Parallel3]
type isostrain
Ngrains 3
mapping sum # or 'parallel'

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code/config/Homogenization_Isostrain_SX.config Normal file
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### $Id$ ###
[SX]
type isostrain
Ngrains 1

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code/config/Homogenization_Isostrain_Taylor2.config Normal file
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### $Id$ ###
[Taylor2]
type isostrain
Ngrains 2

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code/config/Homogenization_RGC_8Grains.config Normal file
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### $Id$ ###
[8Grains]
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 zxz 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

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code/config/Microstructure_DP_Steel.config Normal file
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### $Id$ ###
[DP_Steel]
/elementhomogeneous/
crystallite 1
(constituent) phase 1 texture 1 fraction 0.82
(constituent) phase 2 texture 2 fraction 0.18

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code/config/Microstructure_ElementHomogeneous.config Normal file
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### $Id$ ###
[ElementHomogeneous]
/elementhomogeneous/ # put this flag to set ips identical in one element (something like reduced integration)
crystallite 1
(constituent) phase 1 texture 1 fraction 1.0

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code/config/Phase_Dislotwin_TWIP_Steel_FeMnC.config Normal file
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### $Id$ ###
[TWIP_Steel_FeMnC]
elasticity hooke
plasticity dislotwin
#(output) edge_density
#(output) dipole_density
#(output) shear_rate_slip
#(output) accumulated_shear_slip
#(output) mfp_slip
#(output) resolved_stress_slip
#(output) threshold_stress_slip
#(output) twin_fraction
#(output) shear_rate_twin
#(output) accumulated_shear_twin
#(output) mfp_twin
#(output) resolved_stress_twin
#(output) threshold_stress_twin
#(output) shear_rate_shearband
#(output) resolved_stress_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 1.0
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
QedgePerSbSystem 3.7e-19 # Activation energy for shear banding [J]
### 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]
xc 1.0e-9 # critical distance for formation of twin nucleus
VcrossSlip 1.67e-29 # cross slip volume
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 1.0 # Dislocation-Twin interaction coefficients
interactionTwinTwin 0.0 1.0 # Twin-Twin interaction coefficients
atol_twinFrac 1.0e-7
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

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code/config/Phase_Elastic_Orthorombic.config Normal file
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### $Id$ ###
[Orthorombic]
elasticity hooke
plasticity none
lattice_structure orthorhombic
c11 106.75e9
c22 106.75e9
c33 106.75e9
c12 60.41e9
c13 60.41e9
c23 60.41e9
c44 28.34e9
c55 28.34e9
c66 28.34e9

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code/config/Phase_J2_Aluminum_Isotropic.config Normal file
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### $Id$ ###
[Aluminum_Isotropic]
# Kuo, J. C., Mikrostrukturmechanik von Bikristallen mit Kippkorngrenzen. Shaker-Verlag 2004. http://edoc.mpg.de/204079
elasticity hooke
plasticity j2
(output) flowstress
(output) strainrate
lattice_structure isotropic
c11 110.9e9
c12 58.34e9
taylorfactor 3
tau0 31e6
gdot0 0.001
n 20
h0 75e6
tausat 63e6
w0 2.25
atol_resistance 1

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code/config/Phase_Nonlocal_Aluminum.config Normal file
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### $Id$ ###
[Aluminum]
elasticity hooke
plasticity 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_sgl2dip_edge
(output) rho_dot_sgl2dip_screw
(output) rho_dot_ann_ath
(output) rho_dot_ann_the
(output) rho_dot_ann_the_edge
(output) rho_dot_ann_the_screw
(output) rho_dot_edgejogs
(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) slipdirection.x
(output) slipdirection.y
(output) slipdirection.z
(output) slipnormal.x
(output) slipnormal.y
(output) slipnormal.z
(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
(output) boundarylayer
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
#rhoSglRandom 1e12 # randomly distributed total dislocation density (sum over all slip systems and types) in m/m**3
#rhoSglRandomBinning 1 # binning size of randomly distributed dislocations (number of dislocations per ip volume)
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
edgeMultiplication 0.1 # factor to which edges contribute to multiplication
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
grainboundaryTransmissivity 0.0 # transmissivity of grain boundaries for dislocation flux (grain bundaries are identified as interfaces with different textures on both sides); if not set or set to negative number, the subroutine automatically determines the transmissivity at the grain boundary
interaction_SlipSlip 0 0 0.625 0.07 0.137 0.122 # Dislocation interaction coefficient
linetension 0.8 # constant indicating the effect of the line tension on the hardening coefficients (0 to 1)
edgejog 1.0 # fraction of annihilated screw dipoles that forms edge jogs (0 to 1)
shortRangeStressCorrection 0 # switch for use of short range correction stress
cutoffRadius 1e-3 # cutoff radius for dislocation stress in m
CFLfactor 2.0 # safety factor for CFL flux check (numerical parameter)
significantRho 1e6 # minimum dislocation density considered relevant in m/m**3
#significantN 0.1 # minimum dislocation number per ip considered relevant
aTol_density 1e4 # absolute tolerance for dislocation density in m/m**3
aTol_shear 1e-20 # absolute tolerance for plasgtic shear
randomMultiplication 0 # switch for probabilistic extension of multiplication rate

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code/config/Phase_Phenopowerlaw_Aluminum.config Normal file
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### $Id$ ###
[Aluminum]
elasticity hooke
plasticity 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

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code/config/Phase_Phenopowerlaw_BCC-Ferrite.config Normal file
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### $Id$ ###
[BCC_Ferrite]
elasticity hooke
plasticity 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

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code/config/Phase_Phenopowerlaw_BCC-Martensite.config Normal file
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### $Id$ ###
[BCC_Martensite]
plasticity 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

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code/config/Phase_Phenopowerlaw_cpTi-alpha.config Normal file
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### $Id$ ###
[cpTi-alpha]
plasticity phenopowerlaw
elasticity hooke
# (output) resistance_slip
# (output) shearrate_slip
# (output) resolvedstress_slip
# (output) totalshear
# (output) resistance_twin
# (output) shearrate_twin
# (output) resolvedstress_twin
# (output) totalvolfrac
lattice_structure hex
covera_ratio 1.587
# M. Levy, Handbook of Elastic Properties of Solids, Liquids, and Gases (2001)
c11 160.0e9
c12 90.0e9
c13 66.0e9
c33 181.7e9
c44 46.5e9
# C. Zambaldi, "Orientation informed nanoindentation of a-titanium: Indentation pileup in hexagonal metals deforming by prismatic slip", J. Mater. Res., Vol. 27, No. 1, Jan 14, 2012
gdot0_slip 0.001
n_slip 20
nslip 3 3 0 6 0 0
tau0_slip 364.3e6 158.9e6 0 1140.9e6 0 0 # 158.9e6 1 1140.9e6 1 1
tausat_slip 619.5e6 50e6 0 3673.1e6 0 0 # 1394.2e6 1 3673.1e6 1 1
a_slip 2
ntwin 0 0 0 0
gdot0_twin 0.001 0 0 0
n_twin 20
tau0_twin 31e6 0 0 0 0
s_pr 0
twin_b 0
twin_c 0
twin_d 0
twin_e 0
h0_slipslip 15e6
h0_sliptwin 15e6
h0_twinslip 15e6
h0_twintwin 15e6
atol_resistance 1
atol_shear 1
# atol_twinfrac
interaction_slipslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_sliptwin 1 1 1 1 1 1 1 1 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 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
#nonschmid_coefficients = 0

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code/config/Texture_FiberExample.config Normal file
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### $Id$ ###
[FiberExample]
axes x y -z # model coordinate x-, y-, z-axes correspond to which axes during texture measurement? this was a left handed coordinate system!
# 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

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code/config/Texture_Gauss_001.config Normal file
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### $Id$ ###
[001]
(gauss) phi1 0.000 Phi 0.000 phi2 0.000 scatter 0.000 fraction 1.000

3
code/config/Texture_Gauss_101.config Normal file
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### $Id$ ###
[101]
(gauss) phi1 0.000 Phi 45.000 phi2 90.000 scatter 0.000 fraction 1.000

3
code/config/Texture_Gauss_111.config Normal file
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### $Id$ ###
[111]
(gauss) phi1 0.000 Phi 54.7356 phi2 45.000 scatter 0.000 fraction 1.000

3
code/config/Texture_Gauss_123.config Normal file
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### $Id$ ###
[123]
(gauss) phi1 209.805 Phi 29.206 phi2 63.435 scatter 0.000 fraction 1.000

3
code/config/Texture_RandomSingleCrystals.config Normal file
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### $Id$ ###
[RandomSingleCrystals]
(random) scatter 0.000 fraction 1.000

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code/config/Texture_Rolling.config Normal file
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### $Id$ ###
[Rolling]
hybridIA DP_EBSD.linearODF
symmetry orthotropic # or monoclinic
axes x +z -y # model coordinate x-, y-, z-axes correspond to which axes during texture measurement?

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code/config/material.config
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#####################
# $Id$
#####################
#-------------------#
<homogenization>
#-------------------#
#/echo/ # uncomment to output homogenization part
[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>
#-------------------#
#/echo/ # uncomment to output microstructure part
[Aluminum_j2]
crystallite 2
(constituent) phase 2 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 3 texture 2 fraction 1.0
[Aluminum_nonlocal_001]
crystallite 2
(constituent) phase 4 texture 3 fraction 1.0
[DP_Steel]
/elementhomogeneous/
crystallite 2
(constituent) phase 5 texture 1 fraction 0.82
(constituent) phase 6 texture 1 fraction 0.18
#-------------------#
<crystallite>
#-------------------#
#/echo/ # uncomment to output crystallite part
[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) in crystal reference coordinates
(output) grainrotationx # deviation from initial orientation as angle in degrees around sample reference x axis
(output) grainrotationy # deviation from initial orientation as angle in degrees around sample reference y axis
(output) grainrotationz # deviation from initial orientation as angle in degrees around sample reference z axis
(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
(output) elasmatrix # elastic stiffness matrix
(output) ipcoords # current ip coordinates
#-------------------#
<phase>
#-------------------#
#/echo/ # uncomment to output phase part
[Aluminium_elastic_only]
elasticity hooke
plasticity none
lattice_structure orthorhombic
c11 106.75e9
c22 106.75e9
c33 106.75e9
c12 60.41e9
c13 60.41e9
c23 60.41e9
c44 28.34e9
c55 28.34e9
c66 28.34e9
[Aluminum_J2isotropic]
# Kuo, J. C., Mikrostrukturmechanik von Bikristallen mit Kippkorngrenzen. Shaker-Verlag 2004. http://edoc.mpg.de/204079
elasticity hooke
plasticity j2
(output) flowstress
(output) strainrate
lattice_structure isotropic
c11 110.9e9
c12 58.34e9
taylorfactor 3
tau0 31e6
gdot0 0.001
n 20
h0 75e6
tausat 63e6
#---- if tausat == 0.0 --------!!!VALUES HERE ARE NOT FOR ALUMINUM!!!
tausat_SinhFitA 2.4175e-7
tausat_SinhFitB 5.9804e-8
tausat_SinhFitC 1.0
tausat_SinhFitD 3.9
# h0_slope
#---------------------------#
a 2.25
atol_resistance 1
[Aluminum_phenopowerlaw]
# slip only
elasticity hooke
plasticity phenopowerlaw
(output) shearrate_slip
(output) accumulatedshear_slip
(output) resolvedstress_slip
(output) resistance_slip
(output) totalshear
(output) shearrate_twin
(output) accumulatedshear_twin
(output) resolvedstress_twin
(output) resistance_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 no effect
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]
elasticity hooke
plasticity 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_sgl2dip_edge
(output) rho_dot_sgl2dip_screw
(output) rho_dot_ann_ath
(output) rho_dot_ann_the
(output) rho_dot_ann_the_edge
(output) rho_dot_ann_the_screw
(output) rho_dot_edgejogs
(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) slipdirection.x
(output) slipdirection.y
(output) slipdirection.z
(output) slipnormal.x
(output) slipnormal.y
(output) slipnormal.z
(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
(output) boundarylayer
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
#rhoSglRandom 1e12 # randomly distributed total dislocation density (sum over all slip systems and types) in m/m**3
#rhoSglRandomBinning 1 # binning size of randomly distributed dislocations (number of dislocations per ip volume)
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
edgeMultiplication 0.1 # factor to which edges contribute to multiplication
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
grainboundaryTransmissivity 0.0 # transmissivity of grain boundaries for dislocation flux (grain bundaries are identified as interfaces with different textures on both sides); if not set or set to negative number, the subroutine automatically determines the transmissivity at the grain boundary
interaction_SlipSlip 0 0 0.625 0.07 0.137 0.122 # Dislocation interaction coefficient
linetension 0.8 # constant indicating the effect of the line tension on the hardening coefficients (0 to 1)
edgejog 1.0 # fraction of annihilated screw dipoles that forms edge jogs (0 to 1)
shortRangeStressCorrection 0 # switch for use of short range correction stress
cutoffRadius 1e-3 # cutoff radius for dislocation stress in m
CFLfactor 2.0 # safety factor for CFL flux check (numerical parameter)
significantRho 1e6 # minimum dislocation density considered relevant in m/m**3
#significantN 0.1 # minimum dislocation number per ip considered relevant
aTol_density 1e4 # absolute tolerance for dislocation density in m/m**3
aTol_shear 1e-20 # absolute tolerance for plasgtic shear
randomMultiplication 0 # switch for probabilistic extension of multiplication rate
[BCC_Ferrite]
elasticity hooke
plasticity 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]
plasticity 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]
elasticity hooke
plasticity dislotwin
#(output) edge_density
#(output) dipole_density
#(output) shear_rate_slip
#(output) accumulated_shear_slip
#(output) mfp_slip
#(output) resolved_stress_slip
#(output) threshold_stress_slip
#(output) twin_fraction
#(output) shear_rate_twin
#(output) accumulated_shear_twin
#(output) mfp_twin
#(output) resolved_stress_twin
#(output) threshold_stress_twin
#(output) shear_rate_shearband
#(output) resolved_stress_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 1.0
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
QedgePerSbSystem 3.7e-19 # Activation energy for shear banding [J]
### 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]
xc 1.0e-9 # critical distance for formation of twin nucleus
VcrossSlip 1.67e-29 # cross slip volume
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 1.0 # Dislocation-Twin interaction coefficients
interactionTwinTwin 0.0 1.0 # Twin-Twin interaction coefficients
atol_twinFrac 1.0e-7
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
[cpTi-alpha]
plasticity phenopowerlaw
elasticity hooke
# (output) resistance_slip
# (output) shearrate_slip
# (output) resolvedstress_slip
# (output) totalshear
# (output) resistance_twin
# (output) shearrate_twin
# (output) resolvedstress_twin
# (output) totalvolfrac
lattice_structure hex
covera_ratio 1.587
# M. Levy, Handbook of Elastic Properties of Solids, Liquids, and Gases (2001)
c11 160e9
c12 90e9
c13 66.0e9
c33 181.7e9
c44 46.5e9
# C. Zambaldi, "Orientation informed nanoindentation of a-titanium: Indentation pileup in hexagonal metals deforming by prismatic slip", J. Mater. Res., Vol. 27, No. 1, Jan 14, 2012
nslip 3 3 0 6 0 0
gdot0_slip 0.001
n_slip 20
tau0_slip 364.3e6 158.9e6 0 1140.9e6 0 0 # 158.9e6 1 1140.9e6 1 1
tausat_slip 619.5e6 50e6 0 3673.1e6 0 0 # 1394.2e6 1 3673.1e6 1 1
a_slip 2
ntwin 0 0 0 0
gdot0_twin 0.001 0 0 0
n_twin 20
tau0_twin 31e6 0 0 0 0
s_pr 0
twin_b 0
twin_c 0
twin_d 0
twin_e 0
h0_slipslip 15e6
h0_sliptwin 15e6
h0_twinslip 15e6
h0_twintwin 15e6
atol_resistance 1
atol_shear 1
# atol_twinfrac
interaction_slipslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_sliptwin 1 1 1 1 1 1 1 1 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 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
#nonschmid_coefficients = 0
#-------------------#
<texture>
#-------------------#
#/echo/ # uncomment to output texture part
[Rolling]
hybridIA DP_EBSD.linearODF
symmetry orthotropic # or monoclinic
axes x +z -y # model coordinate x-, y-, z-axes correspond to which axes during texture measurement?
[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]
axes x y -z # model coordinate x-, y-, z-axes correspond to which axes during texture measurement? this was a left handed coordinate system!
# 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