Merge remote-tracking branch 'origin/nonlocal-examples' into preparing-alpha4
This commit is contained in:
Martin Diehl
commit
5973ef5b13
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@ -1,63 +0,0 @@
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[Aluminum]
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plasticity nonlocal
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/nonlocal/
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(output) rho_sgl_mob_edg_pos
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(output) rho_sgl_imm_edg_pos
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(output) rho_sgl_mob_edg_neg
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(output) rho_sgl_imm_edg_neg
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(output) rho_sgl_mob_scr_pos
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(output) rho_sgl_imm_scr_pos
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(output) rho_sgl_mob_scr_neg
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(output) rho_sgl_imm_scr_neg
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(output) rho_dip_edg
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(output) rho_dip_scr
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(output) rho_forest
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(output) gamma
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(output) tau_pass
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(output) v_edg_pos
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(output) v_edg_neg
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(output) v_scr_pos
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(output) v_scr_neg
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lattice_structure fcc
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Nslip 12 # number of slip systems
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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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#rhoSglRandom 1e12 # randomly distributed total dislocation density (sum over all slip systems and types) in m/m**3
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#rhoSglRandomBinning 1 # binning size of randomly distributed dislocations (number of dislocations per ip volume)
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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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edgeMultiplication 0.1 # factor to which edges contribute to multiplication
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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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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
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interaction_SlipSlip 0 0 0.625 0.07 0.137 0.137 0.122 # Dislocation interaction coefficient
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linetension 0.8 # constant indicating the effect of the line tension on the hardening coefficients (0 to 1)
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edgejog 1.0 # fraction of annihilated screw dipoles that forms edge jogs (0 to 1)
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shortRangeStressCorrection 0 # switch for use of short range correction stress
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cutoffRadius 1e-3 # cutoff radius for dislocation stress in m
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CFLfactor 2.0 # safety factor for CFL flux check (numerical parameter)
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significantRho 1e6 # minimum dislocation density considered relevant in m/m**3
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#significantN 0.1 # minimum dislocation number per ip considered relevant
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randomMultiplication 0 # switch for probabilistic extension of multiplication rate
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@ -1,62 +0,0 @@
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[Ni_nonlocal]
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elasticity hooke
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plasticity nonlocal
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/nonlocal/
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(output) rho_sgl_mob_edg_pos
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(output) rho_sgl_imm_edg_pos
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(output) rho_sgl_mob_edg_neg
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(output) rho_sgl_imm_edg_neg
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(output) rho_sgl_mob_scr_pos
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(output) rho_sgl_imm_scr_pos
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(output) rho_sgl_mob_scr_neg
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(output) rho_sgl_imm_scr_neg
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(output) rho_dip_edg
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(output) rho_dip_scr
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(output) rho_forest
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(output) gamma
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(output) tau_pass
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(output) v_edg_pos
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(output) v_edg_neg
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(output) v_scr_pos
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(output) v_scr_neg
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lattice_structure fcc
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Nslip 12 # number of slip systems per family
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burgers 2.48e-10 # Burgers vector in m
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rhoSglEdgePos0 6e10 # Initial positive edge single dislocation density in m/m**3
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rhoSglEdgeNeg0 6e10 # Initial negative edge single dislocation density in m/m**3
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rhoSglScrewPos0 6e10 # Initial positive screw single dislocation density in m/m**3
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rhoSglScrewNeg0 6e10 # Initial negative screw single dislocation density in m/m**3
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rhoDipEdge0 0 # Initial edge dipole dislocation density in m/m**3
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rhoDipScrew0 0 # Initial screw dipole dislocation density in m/m**3
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rhoSglScatter 0
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minimumDipoleHeightEdge 2.6e-9 # 3.0e-9 # minimum distance for stable edge dipoles in m
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minimumDipoleHeightScrew 12.0e-9 # 50e-9 # minimum distance for stable screw dipoles in m
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lambda0 45 # 33 # prefactor for mean free path
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edgeMultiplication 0.1
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randomMultiplication 0
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atomicVolume 1.2e-29
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selfdiffusionPrefactor 1.9e-4 # Gottstein p.168 # prefactor for self-diffusion coefficient
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selfdiffusionEnergy 5.1e-19 # Gottstein p.168 # activation energy self-diffusion
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solidSolutionEnergy 1.8e-19 # activation energy of solid solution particles in J
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solidSolutionConcentration 5e-7 # 1e-7
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solidSolutionSize 1.0
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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-3 # 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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grainBoundaryTransmissivity 0.0
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significantRho 1e8 # dislocation density considered relevant in m/m**3
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significantN 1
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shortRangeStressCorrection 0
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CFLfactor 1.1 # safety factor for CFL flux check (numerical parameter)
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r 1
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interaction_SlipSlip 0 0 0.625 0.07 0.137 0.137 0.122 # Dislocation interaction coefficient
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linetension 0.8
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edgejog 0.01 # 0.2
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@ -0,0 +1,49 @@
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type: nonlocal
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references:
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C. Kords,
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On the role of dislocation transport in the constitutive description of crystal plasticity,
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RWTH Aachen 2013
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output: [rho_u_ed_pos, rho_b_ed_pos, rho_u_ed_neg, rho_b_ed_neg, rho_u_sc_pos, rho_b_sc_pos, rho_u_sc_neg, rho_b_sc_neg, rho_d_ed, rho_d_sc]
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N_sl: [12]
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b_sl: [2.86e-10]
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V_at: 0.017e-27 # Omega
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d_ed: [1.6e-9]
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d_sc: [10.e-9]
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i_sl: [60] # k_2 (lambda_0 in Tab. 7.1)
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f_ed_mult: 0.1 # k_1
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rho_u_ed_neg_0: [1.25e9] # 6e10 / (12*4)
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rho_u_ed_pos_0: [1.25e9] # 6e10 / (12*4)
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rho_u_sc_neg_0: [1.25e9] # 6e10 / (12*4)
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rho_u_sc_pos_0: [1.25e9] # 6e10 / (12*4)
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rho_d_ed_0: [0]
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rho_d_sc_0: [0]
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D_0: 7.e-29
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Q_cl: 0.0 # no temperature dependency
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Q_sol: 2.00272e-19 # 1.25 eV
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c_sol: 1.5e-6 # correct unit?
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f_sol: 2.0 # d_obst in multiples of b
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tau_Peierls_ed: [.1e6]
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tau_Peierls_sc: [.1e6]
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w: 10 # w_k in multiple of b
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p_sl: 1
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q_sl: 1
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nu_a: 50.e9
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B: 1.e-2
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f_ed: 1.0 # k_3
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h_sl-sl: [0, 0, 0.625, 0.07, 0.137, 0.137, 0.122] # Table 3.4
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chi_GB: 0.0 # full blocking at GB
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chi_surface: 1.0 # no blocking at surface
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f_F: 0.0 # no line tension correction
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sigma_rho_u: 0 # no random distribution
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short_range_stress_correction: false
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rho_significant: 1e6
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@ -0,0 +1,49 @@
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type: nonlocal
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references:
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C. Kords,
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On the role of dislocation transport in the constitutive description of crystal plasticity,
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RWTH Aachen 2013
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output: [rho_u_ed_pos, rho_b_ed_pos, rho_u_ed_neg, rho_b_ed_neg, rho_u_sc_pos, rho_b_sc_pos, rho_u_sc_neg, rho_b_sc_neg, rho_d_ed, rho_d_sc]
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N_sl: [12]
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b_sl: [2.48e-10]
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V_at: 0.012e-27 # Omega
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d_ed: [2.6e-9]
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d_sc: [12.e-9]
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i_sl: [45] # k_2
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f_ed_mult: 0.1 # k_1
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rho_u_ed_neg_0: [6.e10] # 2.88e12 / (12*4)
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rho_u_ed_pos_0: [6.e10] # 2.88e12 / (12*4)
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rho_u_sc_neg_0: [6.e10] # 2.88e12 / (12*4)
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rho_u_sc_pos_0: [6.e10] # 2.88e12 / (12*4)
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rho_d_ed_0: [0]
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rho_d_sc_0: [0]
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D_0: 3.e-53
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Q_cl: 0.0 # no temperature dependency
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Q_sol: 1.79444e-19 # 1.12 eV
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c_sol: 5.e-7 # correct unit?
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f_sol: 1. # d_obst
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tau_Peierls_ed: [.1e6]
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tau_Peierls_sc: [.1e6]
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w: 10 # w_k
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p_sl: 1
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q_sl: 1
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nu_a: 50.e9
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B: 1.e-3
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f_ed: 0.01 # k_3
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h_sl-sl: [0, 0, 0.625, 0.07, 0.137, 0.137, 0.122] # Table 3.4
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chi_GB: 0.0 # full blocking at GB
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chi_surface: 1.0 # no blocking at surface
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f_F: 0.0 # no line tension correction
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sigma_rho_u: 0 # no random distribution
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short_range_stress_correction: false
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rho_significant: 1e6
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@ -981,13 +981,13 @@ module subroutine nonlocal_dotState(Mp, Temperature,timestep, &
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gdot !< shear rates
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gdot !< shear rates
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real(pReal), dimension(param(ph)%sum_N_sl) :: &
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real(pReal), dimension(param(ph)%sum_N_sl) :: &
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tau, & !< current resolved shear stress
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tau, & !< current resolved shear stress
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vClimb !< climb velocity of edge dipoles
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v_climb !< climb velocity of edge dipoles
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real(pReal), dimension(param(ph)%sum_N_sl,2) :: &
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real(pReal), dimension(param(ph)%sum_N_sl,2) :: &
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rhoDip, & !< current dipole dislocation densities (screw and edge dipoles)
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rhoDip, & !< current dipole dislocation densities (screw and edge dipoles)
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dLower, & !< minimum stable dipole distance for edges and screws
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dLower, & !< minimum stable dipole distance for edges and screws
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dUpper !< current maximum stable dipole distance for edges and screws
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dUpper !< current maximum stable dipole distance for edges and screws
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real(pReal) :: &
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real(pReal) :: &
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selfDiffusion !< self diffusion
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D_SD
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if (timestep <= 0.0_pReal) then
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if (timestep <= 0.0_pReal) then
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plasticState(ph)%dotState = 0.0_pReal
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plasticState(ph)%dotState = 0.0_pReal
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@ -1047,7 +1047,7 @@ module subroutine nonlocal_dotState(Mp, Temperature,timestep, &
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else isBCC
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else isBCC
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rhoDotMultiplication(:,1:4) = spread( &
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rhoDotMultiplication(:,1:4) = spread( &
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(sum(abs(gdot(:,1:2)),2) * prm%f_ed_mult + sum(abs(gdot(:,3:4)),2)) &
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(sum(abs(gdot(:,1:2)),2) * prm%f_ed_mult + sum(abs(gdot(:,3:4)),2)) &
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* sqrt(stt%rho_forest(:,en)) / prm%i_sl / prm%b_sl, 2, 4)
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* sqrt(stt%rho_forest(:,en)) / prm%i_sl / prm%b_sl, 2, 4) ! eq. 3.26
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endif isBCC
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endif isBCC
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forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,ph),en)
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forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,ph),en)
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@ -1098,11 +1098,11 @@ module subroutine nonlocal_dotState(Mp, Temperature,timestep, &
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! thermally activated annihilation of edge dipoles by climb
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! thermally activated annihilation of edge dipoles by climb
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rhoDotThermalAnnihilation = 0.0_pReal
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rhoDotThermalAnnihilation = 0.0_pReal
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selfDiffusion = prm%D_0 * exp(-prm%Q_cl / (kB * Temperature))
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D_SD = prm%D_0 * exp(-prm%Q_cl / (kB * Temperature)) ! eq. 3.53
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vClimb = prm%V_at * selfDiffusion * prm%mu &
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v_climb = D_SD * prm%mu * prm%V_at &
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/ ( kB * Temperature * PI * (1.0_pReal-prm%nu) * (dUpper(:,1) + dLower(:,1)))
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/ (PI * (1.0_pReal-prm%nu) * (dUpper(:,1) + dLower(:,1)) * kB * Temperature) ! eq. 3.54
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forall (s = 1:ns, dUpper(s,1) > dLower(s,1)) &
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forall (s = 1:ns, dUpper(s,1) > dLower(s,1)) &
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rhoDotThermalAnnihilation(s,9) = max(- 4.0_pReal * rhoDip(s,1) * vClimb(s) / (dUpper(s,1) - dLower(s,1)), &
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rhoDotThermalAnnihilation(s,9) = max(- 4.0_pReal * rhoDip(s,1) * v_climb(s) / (dUpper(s,1) - dLower(s,1)), &
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- rhoDip(s,1) / timestep - rhoDotAthermalAnnihilation(s,9) &
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- rhoDip(s,1) / timestep - rhoDotAthermalAnnihilation(s,9) &
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- rhoDotSingle2DipoleGlide(s,9)) ! make sure that we do not annihilate more dipoles than we have
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- rhoDotSingle2DipoleGlide(s,9)) ! make sure that we do not annihilate more dipoles than we have
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