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