diff --git a/code/constitutive_titanmod.f90 b/code/constitutive_titanmod.f90 index 1069358a9..645ddf18c 100644 --- a/code/constitutive_titanmod.f90 +++ b/code/constitutive_titanmod.f90 @@ -146,10 +146,12 @@ implicit none !* Lists of states and physical parameters character(len=*), parameter :: constitutive_titanmod_label = 'titanmod' -character(len=18), dimension(2), parameter:: constitutive_titanmod_listBasicSlipStates = (/'rho_edge ', & +character(len=18), dimension(2), parameter:: constitutive_titanmod_listBasicSlipStates = (/'rho_edge', & 'rho_screw'/) -character(len=18), dimension(1), parameter:: constitutive_titanmod_listBasicTwinStates = (/'twinFraction'/) -character(len=18), dimension(19), parameter:: constitutive_titanmod_listDependentSlipStates =(/'segment_edge', & +character(len=18), dimension(2), parameter:: constitutive_titanmod_listBasicTwinStates = (/'twinrho_edge', & + 'twinrho_screw'/) + +character(len=18), dimension(20), parameter:: constitutive_titanmod_listDependentSlipStates =(/'segment_edge', & 'segment_screw', & 'rss_slip', & 'gamma_dot', & @@ -159,6 +161,7 @@ character(len=18), dimension(19), parameter:: constitutive_titanmod_listDependen 'invLambdaSlipTwin',& 'stressratio_edgep', & 'stressratio_screwp', & + 'rlengthprefactor', & 'velocity_edge', & 'velocity_screw', & 'edge_generation',& @@ -169,10 +172,9 @@ character(len=18), dimension(19), parameter:: constitutive_titanmod_listDependen 'total_annihilation', & 'total_density'/) -character(len=18), dimension(4), parameter:: constitutive_titanmod_listDependentTwinStates =(/'invLambdaTwin ', & - 'meanFreePathTwin', & - 'tauTwinThreshold', & - 'twinVolume '/) +character(len=18), dimension(2), parameter:: constitutive_titanmod_listDependentTwinStates =(/'twin_fraction', & + 'twingamma_dot'/) + real(pReal), parameter :: kB = 1.38e-23_pReal ! Boltzmann constant in J/Kelvin !* Definition of global variables @@ -214,20 +216,32 @@ real(pReal), dimension(:,:,:,:,:), allocatable :: constitutive_titanmod_ real(pReal), dimension(:,:,:,:,:,:), allocatable :: constitutive_titanmod_Ctwin_3333 ! twin elasticity matrix for each instance real(pReal), dimension(:,:), allocatable :: constitutive_titanmod_rho_edge0, & ! initial edge dislocation density per slip system for each family and instance constitutive_titanmod_rho_screw0, & ! initial screw dislocation density per slip system for each family and instance + constitutive_titanmod_twinrho_edge0, & ! initial edge dislocation density per twin system for each family and instance + constitutive_titanmod_twinrho_screw0, & ! initial screw dislocation density per twin system for each family and instance constitutive_titanmod_burgersPerSlipFamily, & ! absolute length of burgers vector [m] for each slip family and instance constitutive_titanmod_burgersPerSlipSystem, & ! absolute length of burgers vector [m] for each slip system and instance constitutive_titanmod_burgersPerTwinFamily, & ! absolute length of burgers vector [m] for each twin family and instance constitutive_titanmod_burgersPerTwinSystem, & ! absolute length of burgers vector [m] for each twin system and instance constitutive_titanmod_f0_PerSlipFamily, & ! activation energy for glide [J] for each slip family and instance constitutive_titanmod_f0_PerSlipSystem, & ! activation energy for glide [J] for each slip system and instance + constitutive_titanmod_twinf0_PerTwinFamily, & ! activation energy for glide [J] for each twin family and instance + constitutive_titanmod_twinf0_PerTwinSystem, & ! activation energy for glide [J] for each twin system and instance constitutive_titanmod_tau0e_PerSlipFamily, & ! Initial yield stress for edge dislocations per slip family constitutive_titanmod_tau0e_PerSlipSystem, & ! Initial yield stress for edge dislocations per slip system constitutive_titanmod_tau0s_PerSlipFamily, & ! Initial yield stress for screw dislocations per slip family constitutive_titanmod_tau0s_PerSlipSystem, & ! Initial yield stress for screw dislocations per slip system + constitutive_titanmod_twintau0e_PerTwinFamily, & ! Initial yield stress for edge dislocations per twin family + constitutive_titanmod_twintau0e_PerTwinSystem, & ! Initial yield stress for edge dislocations per twin system + constitutive_titanmod_twintau0s_PerTwinFamily, & ! Initial yield stress for screw dislocations per twin family + constitutive_titanmod_twintau0s_PerTwinSystem, & ! Initial yield stress for screw dislocations per twin system constitutive_titanmod_capre_PerSlipFamily, & ! Capture radii for edge dislocations per slip family constitutive_titanmod_capre_PerSlipSystem, & ! Capture radii for edge dislocations per slip system constitutive_titanmod_caprs_PerSlipFamily, & ! Capture radii for screw dislocations per slip family constitutive_titanmod_caprs_PerSlipSystem, & ! Capture radii for screw dislocations per slip system + constitutive_titanmod_twincapre_PerTwinFamily, & ! Capture radii for edge dislocations per twin family + constitutive_titanmod_twincapre_PerTwinSystem, & ! Capture radii for edge dislocations per twin system + constitutive_titanmod_twincaprs_PerTwinFamily, & ! Capture radii for screw dislocations per twin family + constitutive_titanmod_twincaprs_PerTwinSystem, & ! Capture radii for screw dislocations per twin system constitutive_titanmod_pe_PerSlipFamily, & ! p-exponent in glide velocity constitutive_titanmod_ps_PerSlipFamily, & ! p-exponent in glide velocity constitutive_titanmod_qe_PerSlipFamily, & ! q-exponent in glide velocity @@ -236,10 +250,22 @@ real(pReal), dimension(:,:), allocatable :: constitutive_titanmod_ constitutive_titanmod_ps_PerSlipSystem, & ! p-exponent in glide velocity constitutive_titanmod_qe_PerSlipSystem, & ! q-exponent in glide velocity constitutive_titanmod_qs_PerSlipSystem, & ! q-exponent in glide velocity + constitutive_titanmod_twinpe_PerTwinFamily, & ! p-exponent in glide velocity + constitutive_titanmod_twinps_PerTwinFamily, & ! p-exponent in glide velocity + constitutive_titanmod_twinqe_PerTwinFamily, & ! q-exponent in glide velocity + constitutive_titanmod_twinqs_PerTwinFamily, & ! q-exponent in glide velocity + constitutive_titanmod_twinpe_PerTwinSystem, & ! p-exponent in glide velocity + constitutive_titanmod_twinps_PerTwinSystem, & ! p-exponent in glide velocity + constitutive_titanmod_twinqe_PerTwinSystem, & ! q-exponent in glide velocity + constitutive_titanmod_twinqs_PerTwinSystem, & ! q-exponent in glide velocity constitutive_titanmod_v0e_PerSlipFamily, & ! edge dislocation velocity prefactor [m/s] for each family and instance constitutive_titanmod_v0e_PerSlipSystem, & ! screw dislocation velocity prefactor [m/s] for each slip system and instance constitutive_titanmod_v0s_PerSlipFamily, & ! edge dislocation velocity prefactor [m/s] for each family and instance constitutive_titanmod_v0s_PerSlipSystem, & ! screw dislocation velocity prefactor [m/s] for each slip system and instance + constitutive_titanmod_twinv0e_PerTwinFamily, & ! edge dislocation velocity prefactor [m/s] for each family and instance + constitutive_titanmod_twinv0e_PerTwinSystem, & ! screw dislocation velocity prefactor [m/s] for each slip system and instance + constitutive_titanmod_twinv0s_PerTwinFamily, & ! edge dislocation velocity prefactor [m/s] for each family and instance + constitutive_titanmod_twinv0s_PerTwinSystem, & ! screw dislocation velocity prefactor [m/s] for each slip system and instance constitutive_titanmod_rlengthscrew_PerSlipFamily, & ! screw dislocation mobility prefactor for kink-pairs per slip family constitutive_titanmod_rlengthscrew_PerSlipSystem, & ! screw dislocation mobility prefactor for kink-pairs per slip system constitutive_titanmod_Ndot0PerTwinFamily, & ! twin nucleation rate [1/m³s] for each twin family and instance @@ -250,6 +276,10 @@ real(pReal), dimension(:,:), allocatable :: constitutive_titanmod_ constitutive_titanmod_CeLambdaSlipPerSlipSystem, & ! Adj. parameter for distance between 2 forest dislocations for each slip system and instance constitutive_titanmod_CsLambdaSlipPerSlipFamily, & ! Adj. parameter for distance between 2 forest dislocations for each slip family and instance constitutive_titanmod_CsLambdaSlipPerSlipSystem, & ! Adj. parameter for distance between 2 forest dislocations for each slip system and instance + constitutive_titanmod_twinCeLambdaSlipPerTwinFamily, & ! Adj. parameter for distance between 2 forest dislocations for each slip family and instance + constitutive_titanmod_twinCeLambdaSlipPerTwinSystem, & ! Adj. parameter for distance between 2 forest dislocations for each slip system and instance + constitutive_titanmod_twinCsLambdaSlipPerTwinFamily, & ! Adj. parameter for distance between 2 forest dislocations for each slip family and instance + constitutive_titanmod_twinCsLambdaSlipPerTwinSystem, & ! Adj. parameter for distance between 2 forest dislocations for each slip system and instance constitutive_titanmod_interactionSlipSlip, & ! coefficients for slip-slip interaction for each interaction type and instance constitutive_titanmod_interaction_ee, & ! coefficients for e-e interaction for each interaction type and instance constitutive_titanmod_interaction_ss, & ! coefficients for s-s interaction for each interaction type and instance @@ -265,7 +295,9 @@ real(pReal), dimension(:,:,:), allocatable :: constitutive_titanmod_ constitutive_titanmod_interactionMatrixTwinSlip, & ! interaction matrix of twin systems with slip systems for each instance constitutive_titanmod_interactionMatrixTwinTwin, & ! interaction matrix of the different twin systems for each instance constitutive_titanmod_forestProjectionEdge, & ! matrix of forest projections of edge dislocations for each instance - constitutive_titanmod_forestProjectionScrew ! matrix of forest projections of screw dislocations for each instance + constitutive_titanmod_forestProjectionScrew, & ! matrix of forest projections of screw dislocations for each instance + constitutive_titanmod_TwinforestProjectionEdge, & ! matrix of forest projections of edge dislocations in twin system for each instance + constitutive_titanmod_TwinforestProjectionScrew ! matrix of forest projections of screw dislocations in twin system for each instance CONTAINS !**************************************** !* - constitutive_titanmod_init @@ -398,6 +430,23 @@ allocate(constitutive_titanmod_Ndot0PerTwinFamily(lattice_maxNtwinFamily,maxNins allocate(constitutive_titanmod_twinsizePerTwinFamily(lattice_maxNtwinFamily,maxNinstance)) allocate(constitutive_titanmod_CeLambdaSlipPerSlipFamily(lattice_maxNslipFamily,maxNinstance)) allocate(constitutive_titanmod_CsLambdaSlipPerSlipFamily(lattice_maxNslipFamily,maxNinstance)) + +allocate(constitutive_titanmod_twinrho_edge0(lattice_maxNtwinFamily,maxNinstance)) +allocate(constitutive_titanmod_twinrho_screw0(lattice_maxNtwinFamily,maxNinstance)) +allocate(constitutive_titanmod_twinf0_PerTwinFamily(lattice_maxNTwinFamily,maxNinstance)) +allocate(constitutive_titanmod_twintau0e_PerTwinFamily(lattice_maxNTwinFamily,maxNinstance)) +allocate(constitutive_titanmod_twintau0s_PerTwinFamily(lattice_maxNTwinFamily,maxNinstance)) +allocate(constitutive_titanmod_twincapre_PerTwinFamily(lattice_maxNTwinFamily,maxNinstance)) +allocate(constitutive_titanmod_twincaprs_PerTwinFamily(lattice_maxNTwinFamily,maxNinstance)) +allocate(constitutive_titanmod_twinpe_PerTwinFamily(lattice_maxNTwinFamily,maxNinstance)) +allocate(constitutive_titanmod_twinps_PerTwinFamily(lattice_maxNTwinFamily,maxNinstance)) +allocate(constitutive_titanmod_twinqe_PerTwinFamily(lattice_maxNTwinFamily,maxNinstance)) +allocate(constitutive_titanmod_twinqs_PerTwinFamily(lattice_maxNTwinFamily,maxNinstance)) +allocate(constitutive_titanmod_twinv0e_PerTwinFamily(lattice_maxNTwinFamily,maxNinstance)) +allocate(constitutive_titanmod_twinv0s_PerTwinFamily(lattice_maxNTwinFamily,maxNinstance)) +allocate(constitutive_titanmod_twinCeLambdaSlipPerTwinFamily(lattice_maxNTwinFamily,maxNinstance)) +allocate(constitutive_titanmod_twinCsLambdaSlipPerTwinFamily(lattice_maxNTwinFamily,maxNinstance)) + constitutive_titanmod_rho_edge0 = 0.0_pReal constitutive_titanmod_rho_screw0 = 0.0_pReal constitutive_titanmod_burgersPerSlipFamily = 0.0_pReal @@ -418,6 +467,23 @@ constitutive_titanmod_pe_PerSlipFamily = 0.0_pReal constitutive_titanmod_ps_PerSlipFamily = 0.0_pReal constitutive_titanmod_qe_PerSlipFamily = 0.0_pReal constitutive_titanmod_qs_PerSlipFamily = 0.0_pReal + +constitutive_titanmod_twinrho_edge0 = 0.0_pReal +constitutive_titanmod_twinrho_screw0 = 0.0_pReal +constitutive_titanmod_twinf0_PerTwinFamily = 0.0_pReal +constitutive_titanmod_twintau0e_PerTwinFamily = 0.0_pReal +constitutive_titanmod_twintau0s_PerTwinFamily = 0.0_pReal +constitutive_titanmod_twincapre_PerTwinFamily = 0.0_pReal +constitutive_titanmod_twincaprs_PerTwinFamily = 0.0_pReal +constitutive_titanmod_twinv0e_PerTwinFamily = 0.0_pReal +constitutive_titanmod_twinv0s_PerTwinFamily = 0.0_pReal +constitutive_titanmod_twinCeLambdaSlipPerTwinFamily = 0.0_pReal +constitutive_titanmod_twinCsLambdaSlipPerTwinFamily = 0.0_pReal +constitutive_titanmod_twinpe_PerTwinFamily = 0.0_pReal +constitutive_titanmod_twinps_PerTwinFamily = 0.0_pReal +constitutive_titanmod_twinqe_PerTwinFamily = 0.0_pReal +constitutive_titanmod_twinqs_PerTwinFamily = 0.0_pReal + allocate(constitutive_titanmod_interactionSlipSlip(lattice_maxNinteraction,maxNinstance)) allocate(constitutive_titanmod_interaction_ee(lattice_maxNinteraction,maxNinstance)) allocate(constitutive_titanmod_interaction_ss(lattice_maxNinteraction,maxNinstance)) @@ -461,7 +527,7 @@ do ! read thru sections of output = output + 1 constitutive_titanmod_output(output,i) = IO_lc(IO_stringValue(line,positions,2)) write(6,*) tag - case ('lattice_structure') + case ('lattice_structure') constitutive_titanmod_structureName(i) = IO_lc(IO_stringValue(line,positions,2)) write(6,*) tag case ('covera_ratio') @@ -502,6 +568,16 @@ do ! read thru sections of constitutive_titanmod_rho_screw0(j,i) = IO_floatValue(line,positions,1+j) write(6,*) tag,constitutive_titanmod_rho_screw0(1,i),constitutive_titanmod_rho_screw0(2,i), & constitutive_titanmod_rho_screw0(3,i), constitutive_titanmod_rho_screw0(4,i) + case ('twinrho_edge0') + forall (j = 1:lattice_maxNtwinFamily) & + constitutive_titanmod_twinrho_edge0(j,i) = IO_floatValue(line,positions,1+j) + write(6,*) tag,constitutive_titanmod_twinrho_edge0(1,i),constitutive_titanmod_twinrho_edge0(2,i), & + constitutive_titanmod_twinrho_edge0(3,i), constitutive_titanmod_twinrho_edge0(4,i) + case ('twinrho_screw0') + forall (j = 1:lattice_maxNtwinFamily) & + constitutive_titanmod_twinrho_screw0(j,i) = IO_floatValue(line,positions,1+j) + write(6,*) tag,constitutive_titanmod_twinrho_screw0(1,i),constitutive_titanmod_twinrho_screw0(2,i), & + constitutive_titanmod_twinrho_screw0(3,i), constitutive_titanmod_twinrho_screw0(4,i) case ('slipburgers') forall (j = 1:lattice_maxNslipFamily) & constitutive_titanmod_burgersPerSlipFamily(j,i) = IO_floatValue(line,positions,1+j) @@ -516,36 +592,71 @@ do ! read thru sections of constitutive_titanmod_f0_PerSlipFamily(j,i) = IO_floatValue(line,positions,1+j) write(6,*) tag,constitutive_titanmod_f0_PerSlipFamily(1,i),constitutive_titanmod_f0_PerSlipFamily(2,i), & constitutive_titanmod_f0_PerSlipFamily(3,i), constitutive_titanmod_f0_PerSlipFamily(4,i) + case ('twinf0') + forall (j = 1:lattice_maxNtwinFamily) & + constitutive_titanmod_twinf0_PerTwinFamily(j,i) = IO_floatValue(line,positions,1+j) + write(6,*) tag,constitutive_titanmod_twinf0_PerTwinFamily(1,i),constitutive_titanmod_twinf0_PerTwinFamily(2,i), & + constitutive_titanmod_twinf0_PerTwinFamily(3,i), constitutive_titanmod_twinf0_PerTwinFamily(4,i) case ('tau0e') forall (j = 1:lattice_maxNslipFamily) & constitutive_titanmod_tau0e_PerSlipFamily(j,i) = IO_floatValue(line,positions,1+j) write(6,*) tag,constitutive_titanmod_tau0e_PerSlipFamily(1,i),constitutive_titanmod_tau0e_PerSlipFamily(2,i), & constitutive_titanmod_tau0e_PerSlipFamily(3,i), constitutive_titanmod_tau0e_PerSlipFamily(4,i) + case ('twintau0e') + forall (j = 1:lattice_maxNtwinFamily) & + constitutive_titanmod_twintau0e_PerTwinFamily(j,i) = IO_floatValue(line,positions,1+j) + write(6,*) tag,constitutive_titanmod_twintau0e_PerTwinFamily(1,i),constitutive_titanmod_twintau0e_PerTwinFamily(2,i), & + constitutive_titanmod_twintau0e_PerTwinFamily(3,i), constitutive_titanmod_twintau0e_PerTwinFamily(4,i) case ('tau0s') forall (j = 1:lattice_maxNslipFamily) & constitutive_titanmod_tau0s_PerSlipFamily(j,i) = IO_floatValue(line,positions,1+j) write(6,*) tag,constitutive_titanmod_tau0s_PerSlipFamily(1,i),constitutive_titanmod_tau0s_PerSlipFamily(2,i), & constitutive_titanmod_tau0s_PerSlipFamily(3,i), constitutive_titanmod_tau0s_PerSlipFamily(4,i) + case ('twintau0s') + forall (j = 1:lattice_maxNtwinFamily) & + constitutive_titanmod_twintau0s_PerTwinFamily(j,i) = IO_floatValue(line,positions,1+j) + write(6,*) tag,constitutive_titanmod_twintau0s_PerTwinFamily(1,i),constitutive_titanmod_twintau0s_PerTwinFamily(2,i), & + constitutive_titanmod_twintau0s_PerTwinFamily(3,i), constitutive_titanmod_twintau0s_PerTwinFamily(4,i) case ('capre') forall (j = 1:lattice_maxNslipFamily) & constitutive_titanmod_capre_PerSlipFamily(j,i) = IO_floatValue(line,positions,1+j) write(6,*) tag,constitutive_titanmod_capre_PerSlipFamily(1,i),constitutive_titanmod_capre_PerSlipFamily(2,i), & constitutive_titanmod_capre_PerSlipFamily(3,i), constitutive_titanmod_capre_PerSlipFamily(4,i) + case ('twincapre') + forall (j = 1:lattice_maxNtwinFamily) & + constitutive_titanmod_twincapre_PerTwinFamily(j,i) = IO_floatValue(line,positions,1+j) + write(6,*) tag,constitutive_titanmod_twincapre_PerTwinFamily(1,i),constitutive_titanmod_twincapre_PerTwinFamily(2,i), & + constitutive_titanmod_twincapre_PerTwinFamily(3,i), constitutive_titanmod_twincapre_PerTwinFamily(4,i) case ('caprs') forall (j = 1:lattice_maxNslipFamily) & constitutive_titanmod_caprs_PerSlipFamily(j,i) = IO_floatValue(line,positions,1+j) write(6,*) tag,constitutive_titanmod_caprs_PerSlipFamily(1,i),constitutive_titanmod_caprs_PerSlipFamily(2,i), & constitutive_titanmod_caprs_PerSlipFamily(3,i), constitutive_titanmod_caprs_PerSlipFamily(4,i) + case ('twincaprs') + forall (j = 1:lattice_maxNtwinFamily) & + constitutive_titanmod_twincaprs_PerTwinFamily(j,i) = IO_floatValue(line,positions,1+j) + write(6,*) tag,constitutive_titanmod_twincaprs_PerTwinFamily(1,i),constitutive_titanmod_twincaprs_PerTwinFamily(2,i), & + constitutive_titanmod_twincaprs_PerTwinFamily(3,i), constitutive_titanmod_twincaprs_PerTwinFamily(4,i) case ('v0e') forall (j = 1:lattice_maxNslipFamily) & constitutive_titanmod_v0e_PerSlipFamily(j,i) = IO_floatValue(line,positions,1+j) write(6,*) tag,constitutive_titanmod_v0e_PerSlipFamily(1,i),constitutive_titanmod_v0e_PerSlipFamily(2,i), & constitutive_titanmod_v0e_PerSlipFamily(3,i), constitutive_titanmod_v0e_PerSlipFamily(4,i) + case ('twinv0e') + forall (j = 1:lattice_maxNtwinFamily) & + constitutive_titanmod_twinv0e_PerTwinFamily(j,i) = IO_floatValue(line,positions,1+j) + write(6,*) tag,constitutive_titanmod_twinv0e_PerTwinFamily(1,i),constitutive_titanmod_twinv0e_PerTwinFamily(2,i), & + constitutive_titanmod_twinv0e_PerTwinFamily(3,i), constitutive_titanmod_twinv0e_PerTwinFamily(4,i) case ('v0s') forall (j = 1:lattice_maxNslipFamily) & constitutive_titanmod_v0s_PerSlipFamily(j,i) = IO_floatValue(line,positions,1+j) write(6,*) tag,constitutive_titanmod_v0s_PerSlipFamily(1,i),constitutive_titanmod_v0s_PerSlipFamily(2,i), & constitutive_titanmod_v0s_PerSlipFamily(3,i), constitutive_titanmod_v0s_PerSlipFamily(4,i) + case ('twinv0s') + forall (j = 1:lattice_maxNtwinFamily) & + constitutive_titanmod_twinv0s_PerTwinFamily(j,i) = IO_floatValue(line,positions,1+j) + write(6,*) tag,constitutive_titanmod_twinv0s_PerTwinFamily(1,i),constitutive_titanmod_twinv0s_PerTwinFamily(2,i), & + constitutive_titanmod_twinv0s_PerTwinFamily(3,i), constitutive_titanmod_twinv0s_PerTwinFamily(4,i) case ('rlengthscrew') forall (j = 1:lattice_maxNslipFamily) & constitutive_titanmod_rlengthscrew_PerSlipFamily(j,i) = IO_floatValue(line,positions,1+j) @@ -564,10 +675,20 @@ do ! read thru sections of forall (j = 1:lattice_maxNslipFamily) & constitutive_titanmod_CeLambdaSlipPerSlipFamily(j,i) = IO_floatValue(line,positions,1+j) write(6,*) tag + case ('twincelambdaslip') + forall (j = 1:lattice_maxNtwinFamily) & + constitutive_titanmod_twincelambdaslipPerTwinFamily(j,i) = IO_floatValue(line,positions,1+j) + write(6,*) tag,constitutive_titanmod_twincelambdaslipPerTwinFamily(1,i),constitutive_titanmod_twincelambdaslipPerTwinFamily(2,i), & + constitutive_titanmod_twincelambdaslipPerTwinFamily(3,i), constitutive_titanmod_twincelambdaslipPerTwinFamily(4,i) case ('cslambdaslip') forall (j = 1:lattice_maxNslipFamily) & constitutive_titanmod_CsLambdaSlipPerSlipFamily(j,i) = IO_floatValue(line,positions,1+j) write(6,*) tag + case ('twincslambdaslip') + forall (j = 1:lattice_maxNtwinFamily) & + constitutive_titanmod_twincslambdaslipPerTwinFamily(j,i) = IO_floatValue(line,positions,1+j) + write(6,*) tag,constitutive_titanmod_twincslambdaslipPerTwinFamily(1,i),constitutive_titanmod_twincslambdaslipPerTwinFamily(2,i), & + constitutive_titanmod_twincslambdaslipPerTwinFamily(3,i), constitutive_titanmod_twincslambdaslipPerTwinFamily(4,i) case ('grainsize') constitutive_titanmod_GrainSize(i) = IO_floatValue(line,positions,2) write(6,*) tag @@ -579,21 +700,41 @@ do ! read thru sections of constitutive_titanmod_pe_PerSlipFamily(j,i) = IO_floatValue(line,positions,2) write(6,*) tag,constitutive_titanmod_pe_PerSlipFamily(1,i),constitutive_titanmod_pe_PerSlipFamily(2,i), & constitutive_titanmod_pe_PerSlipFamily(3,i), constitutive_titanmod_pe_PerSlipFamily(4,i),i + case ('twinpe') + forall (j = 1:lattice_maxNtwinFamily) & + constitutive_titanmod_twinpe_PerTwinFamily(j,i) = IO_floatValue(line,positions,1+j) + write(6,*) tag,constitutive_titanmod_twinpe_PerTwinFamily(1,i),constitutive_titanmod_twinpe_PerTwinFamily(2,i), & + constitutive_titanmod_twinpe_PerTwinFamily(3,i), constitutive_titanmod_twinpe_PerTwinFamily(4,i) case ('ps') forall (j = 1:lattice_maxNslipFamily) & constitutive_titanmod_ps_PerSlipFamily(j,i) = IO_floatValue(line,positions,2) write(6,*) tag,constitutive_titanmod_ps_PerSlipFamily(1,i),constitutive_titanmod_ps_PerSlipFamily(2,i), & constitutive_titanmod_ps_PerSlipFamily(3,i), constitutive_titanmod_ps_PerSlipFamily(4,i),i + case ('twinps') + forall (j = 1:lattice_maxNtwinFamily) & + constitutive_titanmod_twinps_PerTwinFamily(j,i) = IO_floatValue(line,positions,1+j) + write(6,*) tag,constitutive_titanmod_twinps_PerTwinFamily(1,i),constitutive_titanmod_twinps_PerTwinFamily(2,i), & + constitutive_titanmod_twinps_PerTwinFamily(3,i), constitutive_titanmod_twinps_PerTwinFamily(4,i) case ('qe') forall (j = 1:lattice_maxNslipFamily) & constitutive_titanmod_qe_PerSlipFamily(j,i) = IO_floatValue(line,positions,2) write(6,*) tag,constitutive_titanmod_qe_PerSlipFamily(1,i),constitutive_titanmod_qe_PerSlipFamily(2,i), & constitutive_titanmod_qe_PerSlipFamily(3,i), constitutive_titanmod_qe_PerSlipFamily(4,i),i + case ('twinqe') + forall (j = 1:lattice_maxNtwinFamily) & + constitutive_titanmod_twinf0_PerTwinFamily(j,i) = IO_floatValue(line,positions,1+j) + write(6,*) tag,constitutive_titanmod_twinqe_PerTwinFamily(1,i),constitutive_titanmod_twinqe_PerTwinFamily(2,i), & + constitutive_titanmod_twinqe_PerTwinFamily(3,i), constitutive_titanmod_twinqe_PerTwinFamily(4,i) case ('qs') forall (j = 1:lattice_maxNslipFamily) & constitutive_titanmod_qs_PerSlipFamily(j,i) = IO_floatValue(line,positions,2) write(6,*) tag,constitutive_titanmod_qs_PerSlipFamily(1,i),constitutive_titanmod_qs_PerSlipFamily(2,i), & constitutive_titanmod_qs_PerSlipFamily(3,i), constitutive_titanmod_qs_PerSlipFamily(4,i),i + case ('twinqs') + forall (j = 1:lattice_maxNtwinFamily) & + constitutive_titanmod_twinqs_PerTwinFamily(j,i) = IO_floatValue(line,positions,1+j) + write(6,*) tag,constitutive_titanmod_twinqs_PerTwinFamily(1,i),constitutive_titanmod_twinqs_PerTwinFamily(2,i), & + constitutive_titanmod_twinqs_PerTwinFamily(3,i), constitutive_titanmod_twinqs_PerTwinFamily(4,i) case ('rexponent') constitutive_titanmod_r(i) = IO_floatValue(line,positions,2) write(6,*) tag @@ -659,27 +800,36 @@ write(6,*) 'Material Property reading done' !* Sanity checks if (myStructure < 1 .or. myStructure > 3) call IO_error(205) - if (sum(constitutive_titanmod_Nslip(:,i)) <= 0_pInt) call IO_error(225) - if (sum(constitutive_titanmod_Ntwin(:,i)) < 0_pInt) call IO_error(225) !*** + if (sum(constitutive_titanmod_Nslip(:,i)) <= 0_pInt) call IO_error(207) + if (sum(constitutive_titanmod_Ntwin(:,i)) < 0_pInt) call IO_error(208) !*** do f = 1,lattice_maxNslipFamily if (constitutive_titanmod_Nslip(f,i) > 0_pInt) then - if (constitutive_titanmod_rho_edge0(f,i) < 0.0_pReal) call IO_error(220) - if (constitutive_titanmod_rho_screw0(f,i) < 0.0_pReal) call IO_error(220) - if (constitutive_titanmod_burgersPerSlipFamily(f,i) <= 0.0_pReal) call IO_error(221) - if (constitutive_titanmod_f0_PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(228) + if (constitutive_titanmod_rho_edge0(f,i) < 0.0_pReal) call IO_error(209) + if (constitutive_titanmod_rho_screw0(f,i) < 0.0_pReal) call IO_error(210) + if (constitutive_titanmod_burgersPerSlipFamily(f,i) <= 0.0_pReal) call IO_error(211) + if (constitutive_titanmod_f0_PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(212) if (constitutive_titanmod_tau0e_PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(229) if (constitutive_titanmod_tau0s_PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(233) if (constitutive_titanmod_capre_PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(234) if (constitutive_titanmod_caprs_PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(235) if (constitutive_titanmod_v0e_PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(226) - if (constitutive_titanmod_v0s_PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(227) + if (constitutive_titanmod_v0s_PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(226) if (constitutive_titanmod_rlengthscrew_PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(238) endif enddo do f = 1,lattice_maxNtwinFamily - if (constitutive_titanmod_Nslip(f,i) > 0_pInt) then + if (constitutive_titanmod_Ntwin(f,i) > 0_pInt) then + if (constitutive_titanmod_twinrho_edge0(f,i) < 0.0_pReal) call IO_error(209) + if (constitutive_titanmod_twinrho_screw0(f,i) < 0.0_pReal) call IO_error(210) if (constitutive_titanmod_burgersPerTwinFamily(f,i) <= 0.0_pReal) call IO_error(221) !*** if (constitutive_titanmod_Ndot0PerTwinFamily(f,i) < 0.0_pReal) call IO_error(226) !*** + if (constitutive_titanmod_twinf0_PerTwinFamily(f,i) <= 0.0_pReal) call IO_error(228) + if (constitutive_titanmod_twintau0e_PerTwinFamily(f,i) <= 0.0_pReal) call IO_error(229) + if (constitutive_titanmod_twintau0s_PerTwinFamily(f,i) <= 0.0_pReal) call IO_error(233) + if (constitutive_titanmod_twincapre_PerTwinFamily(f,i) <= 0.0_pReal) call IO_error(234) + if (constitutive_titanmod_twincaprs_PerTwinFamily(f,i) <= 0.0_pReal) call IO_error(235) + if (constitutive_titanmod_twinv0e_PerTwinFamily(f,i) <= 0.0_pReal) call IO_error(226) + if (constitutive_titanmod_twinv0s_PerTwinFamily(f,i) <= 0.0_pReal) call IO_error(226) endif enddo ! if (any(constitutive_titanmod_interactionSlipSlip(1:maxval(lattice_interactionSlipSlip(:,:,myStructure)),i) < 1.0_pReal)) call IO_error(229) @@ -717,10 +867,26 @@ allocate(constitutive_titanmod_v0e_PerSlipSystem(maxTotalNslip,maxNinstance)) allocate(constitutive_titanmod_v0s_PerSlipSystem(maxTotalNslip,maxNinstance)) allocate(constitutive_titanmod_rlengthscrew_PerSlipSystem(maxTotalNslip,maxNinstance)) +allocate(constitutive_titanmod_twinf0_PerTwinSystem(maxTotalNTwin,maxNinstance)) +allocate(constitutive_titanmod_twintau0e_PerTwinSystem(maxTotalNTwin,maxNinstance)) +allocate(constitutive_titanmod_twintau0s_PerTwinSystem(maxTotalNTwin,maxNinstance)) +allocate(constitutive_titanmod_twincapre_PerTwinSystem(maxTotalNTwin,maxNinstance)) +allocate(constitutive_titanmod_twincaprs_PerTwinSystem(maxTotalNTwin,maxNinstance)) +allocate(constitutive_titanmod_twinpe_PerTwinSystem(maxTotalNTwin,maxNinstance)) +allocate(constitutive_titanmod_twinps_PerTwinSystem(maxTotalNTwin,maxNinstance)) +allocate(constitutive_titanmod_twinqe_PerTwinSystem(maxTotalNTwin,maxNinstance)) +allocate(constitutive_titanmod_twinqs_PerTwinSystem(maxTotalNTwin,maxNinstance)) +allocate(constitutive_titanmod_twinv0e_PerTwinSystem(maxTotalNTwin,maxNinstance)) +allocate(constitutive_titanmod_twinv0s_PerTwinSystem(maxTotalNTwin,maxNinstance)) + allocate(constitutive_titanmod_Ndot0PerTwinSystem(maxTotalNtwin, maxNinstance)) allocate(constitutive_titanmod_twinsizePerTwinSystem(maxTotalNtwin, maxNinstance)) allocate(constitutive_titanmod_CeLambdaSlipPerSlipSystem(maxTotalNslip, maxNinstance)) allocate(constitutive_titanmod_CsLambdaSlipPerSlipSystem(maxTotalNslip, maxNinstance)) + +allocate(constitutive_titanmod_twinCeLambdaSlipPerTwinSystem(maxTotalNtwin, maxNinstance)) +allocate(constitutive_titanmod_twinCsLambdaSlipPerTwinSystem(maxTotalNtwin, maxNinstance)) + constitutive_titanmod_burgersPerSlipSystem = 0.0_pReal constitutive_titanmod_burgersPerTwinSystem = 0.0_pReal constitutive_titanmod_f0_PerSlipSystem = 0.0_pReal @@ -736,10 +902,24 @@ constitutive_titanmod_ps_PerSlipSystem = 0.0_pReal constitutive_titanmod_qe_PerSlipSystem = 0.0_pReal constitutive_titanmod_qs_PerSlipSystem = 0.0_pReal +constitutive_titanmod_twinf0_PerTwinSystem = 0.0_pReal +constitutive_titanmod_twintau0e_PerTwinSystem = 0.0_pReal +constitutive_titanmod_twintau0s_PerTwinSystem = 0.0_pReal +constitutive_titanmod_twincapre_PerTwinSystem = 0.0_pReal +constitutive_titanmod_twincaprs_PerTwinSystem = 0.0_pReal +constitutive_titanmod_twinv0e_PerTwinSystem = 0.0_pReal +constitutive_titanmod_twinv0s_PerTwinSystem = 0.0_pReal +constitutive_titanmod_twinpe_PerTwinSystem = 0.0_pReal +constitutive_titanmod_twinps_PerTwinSystem = 0.0_pReal +constitutive_titanmod_twinqe_PerTwinSystem = 0.0_pReal +constitutive_titanmod_twinqs_PerTwinSystem = 0.0_pReal + constitutive_titanmod_Ndot0PerTwinSystem = 0.0_pReal constitutive_titanmod_twinsizePerTwinSystem = 0.0_pReal constitutive_titanmod_CeLambdaSlipPerSlipSystem = 0.0_pReal constitutive_titanmod_CsLambdaSlipPerSlipSystem = 0.0_pReal +constitutive_titanmod_twinCeLambdaSlipPerTwinSystem = 0.0_pReal +constitutive_titanmod_twinCsLambdaSlipPerTwinSystem = 0.0_pReal allocate(constitutive_titanmod_interactionMatrixSlipSlip(maxTotalNslip,maxTotalNslip,maxNinstance)) allocate(constitutive_titanmod_interactionMatrix_ee(maxTotalNslip,maxTotalNslip,maxNinstance)) @@ -750,6 +930,8 @@ allocate(constitutive_titanmod_interactionMatrixTwinSlip(maxTotalNtwin,maxTotalN allocate(constitutive_titanmod_interactionMatrixTwinTwin(maxTotalNtwin,maxTotalNtwin,maxNinstance)) allocate(constitutive_titanmod_forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNinstance)) allocate(constitutive_titanmod_forestProjectionScrew(maxTotalNslip,maxTotalNslip,maxNinstance)) +allocate(constitutive_titanmod_TwinforestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNinstance)) +allocate(constitutive_titanmod_TwinforestProjectionScrew(maxTotalNslip,maxTotalNslip,maxNinstance)) constitutive_titanmod_interactionMatrixSlipSlip = 0.0_pReal constitutive_titanmod_interactionMatrix_ee = 0.0_pReal constitutive_titanmod_interactionMatrix_ss = 0.0_pReal @@ -759,11 +941,14 @@ constitutive_titanmod_interactionMatrixTwinSlip = 0.0_pReal constitutive_titanmod_interactionMatrixTwinTwin = 0.0_pReal constitutive_titanmod_forestProjectionEdge = 0.0_pReal constitutive_titanmod_forestProjectionScrew = 0.0_pReal +constitutive_titanmod_TwinforestProjectionEdge = 0.0_pReal +constitutive_titanmod_TwinforestProjectionScrew = 0.0_pReal allocate(constitutive_titanmod_Ctwin_66(6,6,maxTotalNtwin,maxNinstance)) allocate(constitutive_titanmod_Ctwin_3333(3,3,3,3,maxTotalNtwin,maxNinstance)) constitutive_titanmod_Ctwin_66 = 0.0_pReal constitutive_titanmod_Ctwin_3333 = 0.0_pReal + write(6,*) 'Allocated slip system variables' do i = 1,maxNinstance myStructure = constitutive_titanmod_structure(i) @@ -801,30 +986,28 @@ do i = 1,maxNinstance case('rhoedge', & 'rhoscrew', & 'velocity_edge', & - 'velocity_screw', & + 'velocity_screw', & 'segment_edge', & 'segment_screw', & - 'resistance_edge', & - 'resistance_screw', & + 'resistance_edge', & + 'resistance_screw', & 'rss_slip', & - 'gamma_dot', & - 'dgdotdtau', & - 'edge_generation',& - 'screw_generation', & - 'edge_annihilation', & - 'screw_annihilation', & - 'total_generation', & - 'total_annihilation', & - 'total_density', & - 'stressratio_edgep', & - 'stressratio_screwp' & + 'gamma_dot', & + 'dgdotdtau', & + 'edge_generation',& + 'screw_generation', & + 'edge_annihilation', & + 'screw_annihilation', & + 'total_generation', & + 'total_annihilation', & + 'total_density', & + 'stressratio_edgep', & + 'stressratio_screwp', & + 'rlengthprefactor' & ) mySize = constitutive_titanmod_totalNslip(i) case('twin_fraction', & - 'shear_rate_twin', & - 'mfp_twin', & - 'resolved_stress_twin', & - 'threshold_stress_twin' & + 'twingamma_dot' & ) mySize = constitutive_titanmod_totalNtwin(i) case default @@ -909,7 +1092,22 @@ write(6,*) 'Determining elasticity matrix' constitutive_titanmod_burgersPerTwinSystem(s,i) = constitutive_titanmod_burgersPerTwinFamily(f,i) constitutive_titanmod_Ndot0PerTwinSystem(s,i) = constitutive_titanmod_Ndot0PerTwinFamily(f,i) constitutive_titanmod_twinsizePerTwinSystem(s,i) = constitutive_titanmod_twinsizePerTwinFamily(f,i) - enddo + + constitutive_titanmod_twinf0_PerTwinSystem(s,i) = constitutive_titanmod_twinf0_PerTwinFamily(f,i) + constitutive_titanmod_twintau0e_PerTwinSystem(s,i) = constitutive_titanmod_twintau0e_PerTwinFamily(f,i) + constitutive_titanmod_twintau0s_PerTwinSystem(s,i) = constitutive_titanmod_twintau0s_PerTwinFamily(f,i) + constitutive_titanmod_twincapre_PerTwinSystem(s,i) = constitutive_titanmod_twincapre_PerTwinFamily(f,i) + constitutive_titanmod_twincaprs_PerTwinSystem(s,i) = constitutive_titanmod_twincaprs_PerTwinFamily(f,i) + constitutive_titanmod_twinv0e_PerTwinSystem(s,i) = constitutive_titanmod_twinv0e_PerTwinFamily(f,i) + constitutive_titanmod_twinv0s_PerTwinSystem(s,i) = constitutive_titanmod_twinv0s_PerTwinFamily(f,i) + constitutive_titanmod_twinpe_PerTwinSystem(s,i) = constitutive_titanmod_twinpe_PerTwinFamily(f,i) + constitutive_titanmod_twinps_PerTwinSystem(s,i) = constitutive_titanmod_twinps_PerTwinFamily(f,i) + constitutive_titanmod_twinqe_PerTwinSystem(s,i) = constitutive_titanmod_twinqe_PerTwinFamily(f,i) + constitutive_titanmod_twinqs_PerTwinSystem(s,i) = constitutive_titanmod_twinqs_PerTwinFamily(f,i) + constitutive_titanmod_twinCeLambdaSlipPerTwinSystem(s,i) = constitutive_titanmod_twinCeLambdaSlipPerTwinFamily(f,i) + constitutive_titanmod_twinCsLambdaSlipPerTwinSystem(s,i) = constitutive_titanmod_twinCsLambdaSlipPerTwinFamily(f,i) + + enddo !* Construction of interaction matrices do s1 = 1,constitutive_titanmod_totalNslip(i) @@ -984,7 +1182,26 @@ write(6,*) 'Determining elasticity matrix' lattice_sd(:,constitutive_titanmod_slipSystemLattice(s2,i),myStructure))) enddo; enddo -enddo +! Same framework for twins as for slip. + + !* Calculation of forest projections for edge dislocations in twin system + do t1 = 1,constitutive_titanmod_totalNtwin(i) + do t2 = 1,constitutive_titanmod_totalNtwin(i) + constitutive_titanmod_TwinforestProjectionEdge(t1,t2,i) = & + abs(math_mul3x3(lattice_tn(:,constitutive_titanmod_twinSystemLattice(t1,i),myStructure), & + lattice_tt(:,constitutive_titanmod_twinSystemLattice(t2,i),myStructure))) + enddo; enddo + + !* Calculation of forest projections for screw dislocations in twin system + do t1 = 1,constitutive_titanmod_totalNtwin(i) + do t2 = 1,constitutive_titanmod_totalNtwin(i) + constitutive_titanmod_TwinforestProjectionScrew(t1,t2,i) = & + abs(math_mul3x3(lattice_tn(:,constitutive_titanmod_twinSystemLattice(t1,i),myStructure), & + lattice_td(:,constitutive_titanmod_twinSystemLattice(t2,i),myStructure))) + enddo; enddo + + + enddo write(6,*) 'Init All done' return end subroutine @@ -1003,20 +1220,26 @@ implicit none integer(pInt) :: myInstance real(pReal), dimension(constitutive_titanmod_sizeState(myInstance)) :: constitutive_titanmod_stateInit !* Local variables -integer(pInt) s0,s1,s,t,f,ns,nt +integer(pInt) s0,s1,s,t,f,ns,nt,ts0,ts1,tf,ts real(pReal), dimension(constitutive_titanmod_totalNslip(myInstance)) :: rho_edge0, & rho_screw0, & segment_edge0, & segment_screw0, & resistance_edge0, & resistance_screw0 -real(pReal), dimension(constitutive_titanmod_totalNtwin(myInstance)) :: MeanFreePathTwin0,TwinVolume0 +real(pReal), dimension(constitutive_titanmod_totalNtwin(myInstance)) :: twinrho_edge0, & + twinrho_screw0, & + twinsegment_edge0, & + twinsegment_screw0, & + twinresistance_edge0, & + twinresistance_screw0 ns = constitutive_titanmod_totalNslip(myInstance) nt = constitutive_titanmod_totalNtwin(myInstance) constitutive_titanmod_stateInit = 0.0_pReal !* Initialize basic slip state variables +! For slip s1 = 0_pInt do f = 1,lattice_maxNslipFamily s0 = s1 + 1_pInt @@ -1026,45 +1249,88 @@ do f = 1,lattice_maxNslipFamily rho_screw0(s) = constitutive_titanmod_rho_screw0(f,myInstance) enddo enddo + +!* Initialize basic slip state variables +! For twin +ts1 = 0_pInt +do tf = 1,lattice_maxNtwinFamily + ts0 = ts1 + 1_pInt + ts1 = ts0 + constitutive_titanmod_Ntwin(tf,myInstance) - 1_pInt + do ts = ts0,ts1 + twinrho_edge0(ts) = constitutive_titanmod_twinrho_edge0(tf,myInstance) + twinrho_screw0(ts) = constitutive_titanmod_twinrho_screw0(tf,myInstance) + enddo +enddo + constitutive_titanmod_stateInit(1:ns) = rho_edge0 constitutive_titanmod_stateInit(ns+1:2*ns) = rho_screw0 +constitutive_titanmod_stateInit(2*ns+1:2*ns+nt) = twinrho_edge0 +constitutive_titanmod_stateInit(2*ns+nt+1:2*ns+2*nt) = twinrho_screw0 !* Initialize dependent slip microstructural variables forall (s = 1:ns) & segment_edge0(s) = constitutive_titanmod_CeLambdaSlipPerSlipSystem(s,myInstance)/ & sqrt(dot_product((rho_edge0+rho_screw0),constitutive_titanmod_forestProjectionEdge(1:ns,s,myInstance))) -constitutive_titanmod_stateInit(2*ns+nt+1:3*ns+nt) = segment_edge0 +constitutive_titanmod_stateInit(2*ns+2*nt+1:3*ns+2*nt) = segment_edge0 forall (s = 1:ns) & segment_screw0(s) = constitutive_titanmod_CsLambdaSlipPerSlipSystem(s,myInstance)/ & sqrt(dot_product((rho_edge0+rho_screw0),constitutive_titanmod_forestProjectionScrew(1:ns,s,myInstance))) -constitutive_titanmod_stateInit(4*ns+2*nt+1:5*ns+2*nt) = segment_screw0 +constitutive_titanmod_stateInit(3*ns+2*nt+1:4*ns+2*nt) = segment_screw0 forall (s = 1:ns) & resistance_edge0(s) = & constitutive_titanmod_Gmod(myInstance)*constitutive_titanmod_burgersPerSlipSystem(s,myInstance)* & sqrt(dot_product((rho_edge0),constitutive_titanmod_interactionMatrix_ee(1:ns,s,myInstance))+dot_product((rho_screw0), & constitutive_titanmod_interactionMatrix_es(1:ns,s,myInstance))) -constitutive_titanmod_stateInit(5*ns+3*nt+1:6*ns+3*nt) = resistance_edge0 +constitutive_titanmod_stateInit(4*ns+2*nt+1:5*ns+2*nt) = resistance_edge0 forall (s = 1:ns) & resistance_screw0(s) = & constitutive_titanmod_Gmod(myInstance)*constitutive_titanmod_burgersPerSlipSystem(s,myInstance)* & sqrt(dot_product((rho_edge0),constitutive_titanmod_interactionMatrix_es(1:ns,s,myInstance))+dot_product((rho_screw0), & constitutive_titanmod_interactionMatrix_ss(1:ns,s,myInstance))) -constitutive_titanmod_stateInit(6*ns+3*nt+1:7*ns+3*nt) = resistance_screw0 +constitutive_titanmod_stateInit(5*ns+2*nt+1:6*ns+2*nt) = resistance_screw0 !* Initialize dependent twin microstructural variables forall (t = 1:nt) & -MeanFreePathTwin0(t) = constitutive_titanmod_GrainSize(myInstance) -constitutive_titanmod_stateInit(5*ns+2*nt+1:5*ns+3*nt) = MeanFreePathTwin0 +twinsegment_edge0(t) = constitutive_titanmod_twinCeLambdaSlipPertwinSystem(t,myInstance)/ & + sqrt(dot_product((twinrho_edge0+twinrho_screw0),constitutive_titanmod_twinforestProjectionEdge(1:nt,t,myInstance))) + +constitutive_titanmod_stateInit(6*ns+2*nt+1:6*ns+3*nt) = twinsegment_edge0 forall (t = 1:nt) & -TwinVolume0(t) = & -(pi/6.0_pReal)*constitutive_titanmod_twinsizePerTwinSystem(t,myInstance)*MeanFreePathTwin0(t)**(2.0_pReal) -constitutive_titanmod_stateInit(6*ns+4*nt+1:6*ns+5*nt) = TwinVolume0 +twinsegment_screw0(t) = constitutive_titanmod_twinCsLambdaSlipPertwinSystem(t,myInstance)/ & + sqrt(dot_product((twinrho_edge0+twinrho_screw0),constitutive_titanmod_twinforestProjectionScrew(1:nt,t,myInstance))) + +constitutive_titanmod_stateInit(6*ns+3*nt+1:6*ns+4*nt) = twinsegment_edge0 + +forall (t = 1:nt) & +twinresistance_edge0(t) = & +constitutive_titanmod_Gmod(myInstance)*constitutive_titanmod_burgersPerTwinSystem(t,myInstance)* & +sqrt(dot_product((twinrho_edge0),constitutive_titanmod_interactionMatrixTwinTwin(1:nt,t,myInstance))+ & + dot_product((twinrho_screw0),constitutive_titanmod_interactionMatrixTwinTwin(1:nt,t,myInstance))) + +constitutive_titanmod_stateInit(6*ns+4*nt+1:6*ns+5*nt) = twinresistance_edge0 + +forall (t = 1:nt) & +twinresistance_edge0(t) = & +constitutive_titanmod_Gmod(myInstance)*constitutive_titanmod_burgersPerTwinSystem(t,myInstance)* & +sqrt(dot_product((twinrho_edge0),constitutive_titanmod_interactionMatrixTwinTwin(1:nt,t,myInstance))+ & + dot_product((twinrho_screw0),constitutive_titanmod_interactionMatrixTwinTwin(1:nt,t,myInstance))) + +constitutive_titanmod_stateInit(6*ns+5*nt+1:6*ns+6*nt) = twinresistance_edge0 + +!forall (t = 1:nt) & +!MeanFreePathTwin0(t) = constitutive_titanmod_GrainSize(myInstance) +!constitutive_titanmod_stateInit(5*ns+2*nt+1:5*ns+3*nt) = MeanFreePathTwin0 + +!forall (t = 1:nt) & +!TwinVolume0(t) = & +!(pi/6.0_pReal)*constitutive_titanmod_twinsizePerTwinSystem(t,myInstance)*MeanFreePathTwin0(t)**(2.0_pReal) +!constitutive_titanmod_stateInit(6*ns+4*nt+1:6*ns+5*nt) = TwinVolume0 !write(6,*) '#STATEINIT#' !write(6,*) @@ -1122,13 +1388,13 @@ ns = constitutive_titanmod_totalNslip(myInstance) nt = constitutive_titanmod_totalNtwin(myInstance) !* Total twin volume fraction -sumf = sum(state(g,ip,el)%p((2*ns+1):(2*ns+nt))) ! safe for nt == 0 +sumf = sum(state(g,ip,el)%p((6*ns+6*nt+1):(6*ns+7*nt))) ! safe for nt == 0 !* Homogenized elasticity matrix constitutive_titanmod_homogenizedC = (1.0_pReal-sumf)*constitutive_titanmod_Cslip_66(:,:,myInstance) do i=1,nt constitutive_titanmod_homogenizedC = & - constitutive_titanmod_homogenizedC + state(g,ip,el)%p(2*ns+i)*constitutive_titanmod_Ctwin_66(:,:,i,myInstance) + constitutive_titanmod_homogenizedC + state(g,ip,el)%p(6*ns+6*nt+i)*constitutive_titanmod_Ctwin_66(:,:,i,myInstance) enddo return @@ -1166,6 +1432,8 @@ myInstance = phase_constitutionInstance(material_phase(g,ip,el)) myStructure = constitutive_titanmod_structure(myInstance) ns = constitutive_titanmod_totalNslip(myInstance) nt = constitutive_titanmod_totalNtwin(myInstance) + +! Need to update this list !* State: 1 : ns rho_edge !* State: ns+1 : 2*ns rho_screw !* State: 2*ns+1 : 2*ns+nt f @@ -1179,57 +1447,42 @@ nt = constitutive_titanmod_totalNtwin(myInstance) !* State: 6*ns+4*nt+1 : 6*ns+5*nt twin volume !* Total twin volume fraction -sumf = sum(state(g,ip,el)%p((2*ns+1):(2*ns+nt))) ! safe for nt == 0 +sumf = sum(state(g,ip,el)%p((6*ns+6*nt+1):(6*ns+7*nt))) ! safe for nt == 0 !* Stacking fault energy sfe = 0.0002_pReal*Temperature-0.0396_pReal !* rescaled twin volume fraction for topology -forall (t = 1:nt) & - fOverStacksize(t) = & - state(g,ip,el)%p(2*ns+t)/constitutive_titanmod_twinsizePerTwinSystem(t,myInstance) +!forall (t = 1:nt) & +! fOverStacksize(t) = & +! state(g,ip,el)%p(2*ns+t)/constitutive_titanmod_twinsizePerTwinSystem(t,myInstance) -! average segment length for edge dislocations +! average segment length for edge dislocations in matrix forall (s = 1:ns) & - state(g,ip,el)%p(2*ns+nt+s) = constitutive_titanmod_CeLambdaSlipPerSlipSystem(s,myInstance)/ & + state(g,ip,el)%p(2*ns+2*nt+s) = constitutive_titanmod_CeLambdaSlipPerSlipSystem(s,myInstance)/ & sqrt(dot_product((state(g,ip,el)%p(1:ns)+state(g,ip,el)%p(ns:2*ns)), & constitutive_titanmod_forestProjectionEdge(1:ns,s,myInstance))) -!* Average segment length for screw dislocations -do s = 1,ns - if (nt > 0_pInt) then - state(g,ip,el)%p(4*ns+2*nt+s) = & - constitutive_titanmod_CsLambdaSlipPerSlipSystem(s,myInstance) / & +! average segment length for edge dislocations in matrix +forall (s = 1:ns) & + state(g,ip,el)%p(3*ns+2*nt+s) = constitutive_titanmod_CeLambdaSlipPerSlipSystem(s,myInstance)/ & sqrt(dot_product((state(g,ip,el)%p(1:ns)+state(g,ip,el)%p(ns:2*ns)), & - constitutive_titanmod_forestProjectionScrew(1:ns,s,myInstance))) - else - state(g,ip,el)%p(4*ns+s) = & - constitutive_titanmod_CsLambdaSlipPerSlipSystem(s,myInstance) / & - sqrt(dot_product((state(g,ip,el)%p(1:ns)+state(g,ip,el)%p(ns:2*ns)), & - constitutive_titanmod_forestProjectionScrew(1:ns,s,myInstance))) - endif -enddo + constitutive_titanmod_forestProjectionEdge(1:ns,s,myInstance))) -!* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation -!$OMP CRITICAL (evilmatmul) -state(g,ip,el)%p((3*ns+nt+1):(4*ns+nt)) = 0.0_pReal -if (nt > 0_pInt) & - state(g,ip,el)%p((3*ns+nt+1):(4*ns+nt)) = & - matmul(constitutive_titanmod_interactionMatrixSlipTwin(1:ns,1:nt,myInstance),fOverStacksize(1:nt))/(1.0_pReal-sumf) -!$OMP END CRITICAL (evilmatmul) - -!* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin -!$OMP CRITICAL (evilmatmul) -if (nt > 0_pInt) & - state(g,ip,el)%p((4*ns+nt+1):(4*ns+2*nt)) = & - matmul(constitutive_titanmod_interactionMatrixTwinTwin(1:nt,1:nt,myInstance),fOverStacksize(1:nt))/(1.0_pReal-sumf) -!$OMP END CRITICAL (evilmatmul) - -!* mean free path between 2 obstacles seen by a growing twin -forall (t = 1:nt) & - state(g,ip,el)%p(5*ns+2*nt+t) = & - (constitutive_titanmod_Cmfptwin(myInstance)*constitutive_titanmod_GrainSize(myInstance))/& - (1.0_pReal+constitutive_titanmod_GrainSize(myInstance)*state(g,ip,el)%p(4*ns+nt+t)) +!* Average segment length for screw dislocations in matrix +!do s = 1,ns +! if (nt > 0_pInt) then +! state(g,ip,el)%p(4*ns+2*nt+s) = & +! constitutive_titanmod_CsLambdaSlipPerSlipSystem(s,myInstance) / & +! sqrt(dot_product((state(g,ip,el)%p(1:ns)+state(g,ip,el)%p(ns:2*ns)), & +! constitutive_titanmod_forestProjectionScrew(1:ns,s,myInstance))) +! else +! state(g,ip,el)%p(4*ns+s) = & +! constitutive_titanmod_CsLambdaSlipPerSlipSystem(s,myInstance) / & +! sqrt(dot_product((state(g,ip,el)%p(1:ns)+state(g,ip,el)%p(ns:2*ns)), & +! constitutive_titanmod_forestProjectionScrew(1:ns,s,myInstance))) +! endif +!enddo !* threshold stress or slip resistance for edge dislocation motion forall (s = 1:ns) & @@ -1248,19 +1501,82 @@ forall (s = 1:ns) & constitutive_titanmod_interactionMatrix_es(1:ns,s,myInstance))+ & dot_product((state(g,ip,el)%p(ns+1:2*ns)),& constitutive_titanmod_interactionMatrix_ss(1:ns,s,myInstance))) - -!* threshold stress for growing twin -forall (t = 1:nt) & - state(g,ip,el)%p(6*ns+3*nt+t) = & - constitutive_titanmod_Cthresholdtwin(myInstance)*& - (sfe/(3.0_pReal*constitutive_titanmod_burgersPerTwinSystem(t,myInstance))+& - 3.0_pReal*constitutive_titanmod_burgersPerTwinSystem(t,myInstance)*constitutive_titanmod_Gmod(myInstance)/& - state(g,ip,el)%p(5*ns+2*nt+t)) -!* final twin volume after growth +! average segment length for edge dislocations in twin +forall (t = 1:nt) & + state(g,ip,el)%p(6*ns+2*nt+t) = constitutive_titanmod_twinCeLambdaSlipPerTwinSystem(t,myInstance)/ & + sqrt(dot_product((state(g,ip,el)%p(2*ns+1:2*ns+nt)+state(g,ip,el)%p(2*ns+nt+1:2*ns+2*nt)), & + constitutive_titanmod_twinforestProjectionEdge(1:nt,t,myInstance))) + +! average segment length for edge dislocations in twin +forall (t = 1:nt) & + state(g,ip,el)%p(6*ns+3*nt+t) = constitutive_titanmod_twinCeLambdaSlipPerTwinSystem(t,myInstance)/ & + sqrt(dot_product((state(g,ip,el)%p(2*ns+1:2*ns+nt)+state(g,ip,el)%p(2*ns+nt+1:2*ns+2*nt)), & + constitutive_titanmod_twinforestProjectionScrew(1:nt,t,myInstance))) + +!* threshold stress or slip resistance for edge dislocation motion in twin forall (t = 1:nt) & state(g,ip,el)%p(6*ns+4*nt+t) = & - (pi/6.0_pReal)*constitutive_titanmod_twinsizePerTwinSystem(t,myInstance)*state(g,ip,el)%p(5*ns+2*nt+t)**(2.0_pReal) + constitutive_titanmod_Gmod(myInstance)*constitutive_titanmod_burgersPerTwinSystem(t,myInstance)*& + sqrt(dot_product((state(g,ip,el)%p(2*ns+1:2*ns+nt)),& + constitutive_titanmod_interactionMatrixTwinTwin(1:nt,t,myInstance))+ & + dot_product((state(g,ip,el)%p(2*ns+nt+1:2*ns+2*nt)),& + constitutive_titanmod_interactionMatrixTwinTwin(1:nt,t,myInstance))) + +!* threshold stress or slip resistance for screw dislocation motion in twin +forall (t = 1:nt) & + state(g,ip,el)%p(6*ns+5*nt+t) = & + constitutive_titanmod_Gmod(myInstance)*constitutive_titanmod_burgersPerTwinSystem(t,myInstance)*& + sqrt(dot_product((state(g,ip,el)%p(2*ns+1:2*ns+nt)),& + constitutive_titanmod_interactionMatrixTwinTwin(1:nt,t,myInstance))+ & + dot_product((state(g,ip,el)%p(2*ns+nt+1:2*ns+2*nt)),& + constitutive_titanmod_interactionMatrixTwinTwin(1:nt,t,myInstance))) + +!* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation +!$OMP CRITICAL (evilmatmul) +!state(g,ip,el)%p((3*ns+nt+1):(4*ns+nt)) = 0.0_pReal +!if (nt > 0_pInt) & +! state(g,ip,el)%p((3*ns+nt+1):(4*ns+nt)) = & +! matmul(constitutive_titanmod_interactionMatrixSlipTwin(1:ns,1:nt,myInstance),fOverStacksize(1:nt))/(1.0_pReal-sumf) +!$OMP END CRITICAL (evilmatmul) + +!* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin +!$OMP CRITICAL (evilmatmul) +!if (nt > 0_pInt) & +! state(g,ip,el)%p((4*ns+nt+1):(4*ns+2*nt)) = & +! matmul(constitutive_titanmod_interactionMatrixTwinTwin(1:nt,1:nt,myInstance),fOverStacksize(1:nt))/(1.0_pReal-sumf) +!$OMP END CRITICAL (evilmatmul) + +!* mean free path between 2 obstacles seen by a growing twin +!forall (t = 1:nt) & +! state(g,ip,el)%p(5*ns+2*nt+t) = & +! (constitutive_titanmod_Cmfptwin(myInstance)*constitutive_titanmod_GrainSize(myInstance))/& +! (1.0_pReal+constitutive_titanmod_GrainSize(myInstance)*state(g,ip,el)%p(4*ns+nt+t)) + + +!* threshold stress for growing twin +! Hall-patch stress for a growing twin +! Need to add it. Need to determine sin alpha + +! threshold stress for dislocation activity in twin +!No difference in edge and screw activity in twin volume. Therefore only one slip resistance is sufficient +!forall (t = 1:nt) & +! state(g,ip,el)%p(6*ns+3*nt+t) = & +! constitutive_titanmod_Gmod(myInstance)*constitutive_titanmod_burgersPerTwinSystem(t,myInstance)*& +! sqrt(dot_product((state(g,ip,el)%p(1:ns)+state(g,ip,el)%p(ns:2*ns)),& +! constitutive_titanmod_interactionMatrixTwinTwin(1:ns,t,myInstance))) + +!forall (t = 1:nt) & +! state(g,ip,el)%p(6*ns+3*nt+t) = & +! constitutive_titanmod_Cthresholdtwin(myInstance)*& +! (sfe/(3.0_pReal*constitutive_titanmod_burgersPerTwinSystem(t,myInstance))+& +! 3.0_pReal*constitutive_titanmod_burgersPerTwinSystem(t,myInstance)*constitutive_titanmod_Gmod(myInstance)/& +! state(g,ip,el)%p(5*ns+2*nt+t)) + +!* final twin volume after growth +!forall (t = 1:nt) & +! state(g,ip,el)%p(6*ns+4*nt+t) = & +! (pi/6.0_pReal)*constitutive_titanmod_twinsizePerTwinSystem(t,myInstance)*state(g,ip,el)%p(5*ns+2*nt+t)**(2.0_pReal) !if ((ip==1).and.(el==1)) then ! write(6,*) '#MICROSTRUCTURE#' @@ -1307,12 +1623,14 @@ real(pReal), dimension(9,9), intent(out) :: dLp_dTstar integer(pInt) myInstance,myStructure,ns,nt,f,i,j,k,l,m,n,index_myFamily real(pReal) sumf,StressRatio_edge_p,minusStressRatio_edge_p,StressRatio_edge_pminus1,StressRatio_screw_p, & StressRatio_screw_pminus1, StressRatio_r,BoltzmannRatio,DotGamma0, minusStressRatio_screw_p,gdotTotal, & - screwvelocity_kink_prefactor + screwvelocity_kink_prefactor,twinStressRatio_edge_p,twinminusStressRatio_edge_p,twinStressRatio_edge_pminus1, & + twinStressRatio_screw_p, twinStressRatio_screw_pminus1, twinStressRatio_r, twinDotGamma0, & + twinminusStressRatio_screw_p real(pReal), dimension(3,3,3,3) :: dLp_dTstar3333 real(pReal), dimension(constitutive_titanmod_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: & gdot_slip,dgdot_dtauslip,tau_slip, edge_velocity, screw_velocity real(pReal), dimension(constitutive_titanmod_totalNtwin(phase_constitutionInstance(material_phase(g,ip,el)))) :: & - gdot_twin,dgdot_dtautwin,tau_twin + gdot_twin,dgdot_dtautwin,tau_twin, twinedge_velocity, twinscrew_velocity !* Shortened notation myInstance = phase_constitutionInstance(material_phase(g,ip,el)) @@ -1321,7 +1639,7 @@ ns = constitutive_titanmod_totalNslip(myInstance) nt = constitutive_titanmod_totalNtwin(myInstance) !* Total twin volume fraction -sumf = sum(state(g,ip,el)%p((2*ns+1):(2*ns+nt))) ! safe for nt == 0 +sumf = sum(state(g,ip,el)%p((6*ns+6*nt+1):(6*ns+7*nt))) ! safe for nt == 0 Lp = 0.0_pReal dLp_dTstar3333 = 0.0_pReal @@ -1358,34 +1676,36 @@ do f = 1,lattice_maxNslipFamily ! loop over all ! StressRatio_screw_p=0.0_pReal ! endif if(myStructure==3.and.j>3) then ! only for hex and for all the non-basal slip systems - screwvelocity_kink_prefactor=state(g,ip,el)%p(4*ns+2*nt+j)/constitutive_titanmod_rlengthscrew_PerSlipSystem(j,myInstance) + screwvelocity_kink_prefactor=state(g,ip,el)%p(3*ns+2*nt+j)/constitutive_titanmod_rlengthscrew_PerSlipSystem(j,myInstance) else screwvelocity_kink_prefactor=1.0_pReal endif - + + state(g,ip,el)%p(14*ns+3*nt+j)=screwvelocity_kink_prefactor + !* Stress ratio for edge StressRatio_edge_p = ((abs(tau_slip(j)))/ & - ( constitutive_titanmod_tau0e_PerSlipSystem(j,myInstance)+state(g,ip,el)%p(5*ns+3*nt+j)) & + ( constitutive_titanmod_tau0e_PerSlipSystem(j,myInstance)+state(g,ip,el)%p(4*ns+2*nt+j)) & )**constitutive_titanmod_pe_PerSlipSystem(j,myInstance) !* Stress ratio for screw StressRatio_screw_p = ((abs(tau_slip(j)))/ & - ( constitutive_titanmod_tau0s_PerSlipSystem(j,myInstance)+state(g,ip,el)%p(6*ns+3*nt+j)) & + ( constitutive_titanmod_tau0s_PerSlipSystem(j,myInstance)+state(g,ip,el)%p(5*ns+2*nt+j)) & )**constitutive_titanmod_ps_PerSlipSystem(j,myInstance) state(g,ip,el)%p(10*ns+3*nt+j)=StressRatio_edge_p state(g,ip,el)%p(11*ns+3*nt+j)=StressRatio_screw_p - if((1.0_pReal-StressRatio_edge_p)>0.01_pReal) then + if((1.0_pReal-StressRatio_edge_p)>0.001_pReal) then minusStressRatio_edge_p=1.0_pReal-StressRatio_edge_p else - minusStressRatio_edge_p=0.01_pReal + minusStressRatio_edge_p=0.001_pReal endif - if((1.0_pReal-StressRatio_screw_p)>0.01_pReal) then + if((1.0_pReal-StressRatio_screw_p)>0.001_pReal) then minusStressRatio_screw_p=1.0_pReal-StressRatio_screw_p else - minusStressRatio_screw_p=0.01_pReal + minusStressRatio_screw_p=0.001_pReal endif ! !* Stress ratio for edge p minus1 @@ -1417,7 +1737,7 @@ do f = 1,lattice_maxNslipFamily ! loop over all !* Initial shear rates DotGamma0 = & - constitutive_titanmod_burgersPerSlipSystem(j,myInstance)*2.0_pReal*(state(g,ip,el)%p(j)*& + constitutive_titanmod_burgersPerSlipSystem(j,myInstance)*(state(g,ip,el)%p(j)*& + constitutive_titanmod_v0e_PerSlipSystem(j,myInstance)+state(g,ip,el)%p(ns+j)* & constitutive_titanmod_v0e_PerSlipSystem(j,myInstance)) @@ -1430,7 +1750,7 @@ do f = 1,lattice_maxNslipFamily ! loop over all constitutive_titanmod_qs_PerSlipSystem(j,myInstance)) !* Shear rates due to slip - gdot_slip(j) = constitutive_titanmod_burgersPerSlipSystem(j,myInstance)*2.0_pReal*(state(g,ip,el)%p(j)* & + gdot_slip(j) = constitutive_titanmod_burgersPerSlipSystem(j,myInstance)*(state(g,ip,el)%p(j)* & edge_velocity(j)+state(g,ip,el)%p(ns+j) * screw_velocity(j))* sign(1.0_pReal,tau_slip(j)) ! forall (s = 1:ns) & @@ -1440,9 +1760,7 @@ do f = 1,lattice_maxNslipFamily ! loop over all state(g,ip,el)%p(12*ns+3*nt+j)=gdot_slip(j) !* Derivatives of shear rates - dgdot_dtauslip(j) = & - 2.0_pReal* & - ( & + dgdot_dtauslip(j) = ( & ( & ( & ( & @@ -1518,16 +1836,110 @@ do f = 1,lattice_maxNtwinFamily ! loop over all !* Resolved shear stress on twin system tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,myStructure)) - !* Stress ratios - StressRatio_r = (state(g,ip,el)%p(6*ns+3*nt+j)/tau_twin(j))**constitutive_titanmod_r(myInstance) +!************************************************************************************** + !* Stress ratios +! StressRatio_r = (state(g,ip,el)%p(6*ns+3*nt+j)/tau_twin(j))**constitutive_titanmod_r(myInstance) !* Shear rates and their derivatives due to twin ! if ( tau_twin(j) > 0.0_pReal ) !then - gdot_twin(j) = 0.0_pReal!& +! gdot_twin(j) = 0.0_pReal!& ! (constitutive_titanmod_MaxTwinFraction(myInstance)-sumf)*lattice_shearTwin(index_myFamily+i,myStructure)*& ! state(g,ip,el)%p(6*ns+4*nt+j)*constitutive_titanmod_Ndot0PerTwinSystem(f,myInstance)*exp(-StressRatio_r) ! dgdot_dtautwin(j) = ((gdot_twin(j)*constitutive_titanmod_r(myInstance))/tau_twin(j))*StressRatio_r ! endif +!************************************************************************************** + + !* Stress ratio for edge + twinStressRatio_edge_p = ((abs(tau_twin(j)))/ & + ( constitutive_titanmod_twintau0e_PerTwinSystem(j,myInstance)+state(g,ip,el)%p(6*ns+4*nt+j)) & + )**constitutive_titanmod_twinpe_PerTwinSystem(j,myInstance) + + !* Stress ratio for screw + twinStressRatio_screw_p = ((abs(tau_twin(j)))/ & + ( constitutive_titanmod_twintau0s_PerTwinSystem(j,myInstance)+state(g,ip,el)%p(6*ns+5*nt+j)) & + )**constitutive_titanmod_twinps_PerTwinSystem(j,myInstance) + +! state(g,ip,el)%p(10*ns+3*nt+j)=twinStressRatio_edge_p +! state(g,ip,el)%p(11*ns+3*nt+j)=twinStressRatio_screw_p + + if((1.0_pReal-twinStressRatio_edge_p)>0.001_pReal) then + twinminusStressRatio_edge_p=1.0_pReal-twinStressRatio_edge_p + else + twinminusStressRatio_edge_p=0.001_pReal + endif + + if((1.0_pReal-twinStressRatio_screw_p)>0.001_pReal) then + twinminusStressRatio_screw_p=1.0_pReal-twinStressRatio_screw_p + else + twinminusStressRatio_screw_p=0.001_pReal + endif + + twinStressRatio_edge_pminus1 = ((abs(tau_twin(j)))/ & + ( constitutive_titanmod_twintau0e_PerTwinSystem(j,myInstance)+state(g,ip,el)%p(6*ns+4*nt+j)) & + )**(constitutive_titanmod_twinpe_PerTwinSystem(j,myInstance)-1.0_pReal) + + twinStressRatio_screw_pminus1 = ((abs(tau_twin(j)))/ & + ( constitutive_titanmod_twintau0s_PerTwinSystem(j,myInstance)+state(g,ip,el)%p(6*ns+5*nt+j)) & + )**(constitutive_titanmod_twinps_PerTwinSystem(j,myInstance)-1.0_pReal) + + !* Boltzmann ratio + BoltzmannRatio = constitutive_titanmod_twinf0_PerTwinSystem(j,myInstance)/(kB*Temperature) + + !* Initial shear rates + TwinDotGamma0 = & + constitutive_titanmod_burgersPerTwinSystem(j,myInstance)*(state(g,ip,el)%p(2*ns+j)*& + constitutive_titanmod_twinv0e_PerTwinSystem(j,myInstance)+state(g,ip,el)%p(2*ns+nt+j)* & + constitutive_titanmod_twinv0s_PerTwinSystem(j,myInstance)) + + twinedge_velocity(j) =constitutive_titanmod_twinv0e_PerTwinSystem(j,myInstance)*exp(-BoltzmannRatio* & + (twinminusStressRatio_edge_p)** & + constitutive_titanmod_twinqe_PerTwinSystem(j,myInstance)) + + twinscrew_velocity(j) =constitutive_titanmod_twinv0s_PerTwinSystem(j,myInstance)* & + exp(-BoltzmannRatio*(twinminusStressRatio_screw_p)** & + constitutive_titanmod_twinqs_PerTwinSystem(j,myInstance)) + + !* Shear rates due to twin + gdot_twin(j) = constitutive_titanmod_burgersPerTwinSystem(j,myInstance)*(state(g,ip,el)%p(2*ns+j)* & + twinedge_velocity(j)+state(g,ip,el)%p(2*ns+nt+j) * twinscrew_velocity(j))* sign(1.0_pReal,tau_twin(j)) + +! forall (s = 1:ns) & +! state(g,ip,el)%p(7*ns+3*nt+j)= twinedge_velocity(j) +! forall (s = 1:ns) & +! state(g,ip,el)%p(8*ns+3*nt+j)= twinscrew_velocity(j) +! state(g,ip,el)%p(12*ns+3*nt+j)=gdot_twin(j) + + !* Derivatives of shear rates in twin + dgdot_dtautwin(j) = ( & + ( & + ( & + ( & + (abs(gdot_twin(j))) * & + BoltzmannRatio*& + constitutive_titanmod_twinpe_PerTwinSystem(j,myInstance)* & + constitutive_titanmod_twinqe_PerTwinSystem(j,myInstance) & + )/ & + constitutive_titanmod_twintau0e_PerTwinSystem(j,myInstance) & + )*& + twinStressRatio_edge_pminus1*(twinminusStressRatio_edge_p)** & + (constitutive_titanmod_twinqe_PerTwinSystem(j,myInstance)-1.0_pReal) & + ) + & + ( & + ( & + ( & + (abs(gdot_twin(j))) * & + BoltzmannRatio* & + constitutive_titanmod_twinps_PerTwinSystem(j,myInstance)* & + constitutive_titanmod_twinqs_PerTwinSystem(j,myInstance) & + )/ & + constitutive_titanmod_twintau0s_PerTwinSystem(j,myInstance) & + )*& + twinStressRatio_screw_pminus1*(twinminusStressRatio_screw_p)** & + (constitutive_titanmod_twinqs_PerTwinSystem(j,myInstance)-1.0_pReal) & + ) & + ) !* sign(1.0_pReal,tau_slip(j)) + +! state(g,ip,el)%p(13*ns+3*nt+j)=dgdot_dtautwin(j) !* Plastic velocity gradient for mechanical twinning Lp = Lp + gdot_twin(j)*lattice_Stwin(:,:,index_myFamily+i,myStructure) @@ -1587,15 +1999,18 @@ type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), in real(pReal), dimension(constitutive_titanmod_sizeDotState(phase_constitutionInstance(material_phase(g,ip,el)))) :: & constitutive_titanmod_dotState !* Local variables -integer(pInt) MyInstance,MyStructure,ns,nt,f,i,j,k,index_myFamily,s +integer(pInt) MyInstance,MyStructure,ns,nt,f,i,j,k,index_myFamily,s,t real(pReal) sumf,StressRatio_edge_p,minusStressRatio_edge_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,& EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,StressRatio_screw_p,minusStressRatio_screw_p, & - screwvelocity_kink_prefactor + screwvelocity_kink_prefactor,twinStressRatio_edge_p,twinminusStressRatio_edge_p,twinStressRatio_pminus1, & + twinDotGamma0,twinStressRatio_screw_p, & + twinminusStressRatio_screw_p real(pReal), dimension(constitutive_titanmod_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: & gdot_slip,tau_slip,DotRhoEdgeGeneration,EdgeDipDistance,DotRhoEdgeAnnihilation,DotRhoScrewAnnihilation,& ClimbVelocity,DotRhoScrewGeneration, edge_segment, screw_segment,edge_velocity,screw_velocity real(pReal), dimension(constitutive_titanmod_totalNtwin(phase_constitutionInstance(material_phase(g,ip,el)))) :: gdot_twin, & -tau_twin +tau_twin,twinedge_segment,twinscrew_segment,twinedge_velocity,twinscrew_velocity,TwinDotRhoEdgeGeneration, & +TwinDotRhoEdgeAnnihilation,TwinDotRhoScrewGeneration,TwinDotRhoScrewAnnihilation !* Shortened notation myInstance = phase_constitutionInstance(material_phase(g,ip,el)) @@ -1608,21 +2023,36 @@ sumf = sum(state(g,ip,el)%p((2*ns+1):(2*ns+nt))) ! safe for nt == 0 constitutive_titanmod_dotState = 0.0_pReal -!* average segment length for edge dislocations +!* average segment length for edge dislocations in matrix forall (s = 1:ns) & edge_segment(s) = & (constitutive_titanmod_CeLambdaSlipPerSlipSystem(s,myInstance))/ & sqrt(dot_product((state(g,ip,el)%p(1:ns)+state(g,ip,el)%p(ns+1:2*ns)), & constitutive_titanmod_forestProjectionEdge(1:ns,s,myInstance))) -!* average segment length for screw dislocations +!* average segment length for screw dislocations in matrix forall (s = 1:ns) & screw_segment(s) = & (constitutive_titanmod_CsLambdaSlipPerSlipSystem(s,myInstance))/ & sqrt(dot_product((state(g,ip,el)%p(1:ns)+state(g,ip,el)%p(ns+1:2*ns)), & constitutive_titanmod_forestProjectionScrew(1:ns,s,myInstance))) - j = 0_pInt +!* average segment length for edge dislocations in twin +forall (t = 1:nt) & + twinedge_segment(t) = & + (constitutive_titanmod_twinCeLambdaSlipPerTwinSystem(t,myInstance))/ & + sqrt(dot_product((state(g,ip,el)%p(2*ns+1:2*ns+nt)+state(g,ip,el)%p(2*ns+nt+1:2*ns+2*nt)), & + constitutive_titanmod_TwinforestProjectionEdge(1:nt,t,myInstance))) + +!* average segment length for screw dislocations in twin +forall (t = 1:nt) & + twinscrew_segment(t) = & + (constitutive_titanmod_twinCsLambdaSlipPerTwinSystem(t,myInstance))/ & + sqrt(dot_product((state(g,ip,el)%p(2*ns+1:2*ns+nt)+state(g,ip,el)%p(2*ns+nt+1:2*ns+2*nt)), & + constitutive_titanmod_TwinforestProjectionScrew(1:nt,t,myInstance))) + + + j = 0_pInt do f = 1,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1,myStructure)) ! at which index starts my family do i = 1,constitutive_titanmod_Nslip(f,myInstance) ! process each (active) slip system in family @@ -1648,31 +2078,31 @@ forall (s = 1:ns) & ! endif if(myStructure==3.and.j>3) then ! only for hex and for all the non-basal slip systems - screwvelocity_kink_prefactor=state(g,ip,el)%p(4*ns+2*nt+j)/constitutive_titanmod_rlengthscrew_PerSlipSystem(j,myInstance) + screwvelocity_kink_prefactor=state(g,ip,el)%p(3*ns+2*nt+j)/constitutive_titanmod_rlengthscrew_PerSlipSystem(j,myInstance) else screwvelocity_kink_prefactor=1.0_pReal endif !* Stress ratio for edge StressRatio_edge_p = ((abs(tau_slip(j)))/ & - ( constitutive_titanmod_tau0e_PerSlipSystem(j,myInstance)+state(g,ip,el)%p(5*ns+3*nt+j)) & + ( constitutive_titanmod_tau0e_PerSlipSystem(j,myInstance)+state(g,ip,el)%p(4*ns+2*nt+j)) & )**(constitutive_titanmod_pe_PerSlipSystem(j,myInstance)) !* Stress ratio for screw StressRatio_screw_p = ((abs(tau_slip(j)))/ & - ( constitutive_titanmod_tau0s_PerSlipSystem(j,myInstance)+state(g,ip,el)%p(6*ns+3*nt+j)) & + ( constitutive_titanmod_tau0s_PerSlipSystem(j,myInstance)+state(g,ip,el)%p(5*ns+2*nt+j)) & )**(constitutive_titanmod_ps_PerSlipSystem(j,myInstance)) - if((1.0_pReal-StressRatio_edge_p)>0.01_pReal) then + if((1.0_pReal-StressRatio_edge_p)>0.001_pReal) then minusStressRatio_edge_p=1.0_pReal-StressRatio_edge_p else - minusStressRatio_edge_p=0.01_pReal + minusStressRatio_edge_p=0.001_pReal endif - if((1-StressRatio_screw_p)>0.01_pReal) then + if((1-StressRatio_screw_p)>0.001_pReal) then minusStressRatio_screw_p=1.0_pReal-StressRatio_screw_p else - minusStressRatio_screw_p=0.01_pReal + minusStressRatio_screw_p=0.001_pReal endif !* Boltzmann ratio @@ -1728,25 +2158,100 @@ forall (s = 1:ns) & enddo enddo -!* Twin volume fraction evolution +!* Twin fraction evolution j = 0_pInt do f = 1,lattice_maxNtwinFamily ! loop over all twin families index_myFamily = sum(lattice_NtwinSystem(1:f-1,MyStructure)) ! at which index starts my family do i = 1,constitutive_titanmod_Ntwin(f,myInstance) ! process each (active) twin system in family j = j+1_pInt +!************************************************************************* +!This was in dislotwin - keeping it for safety +!************************************************************************* +! !* Resolved shear stress on twin system +! tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,myStructure)) +! !* Stress ratios +! StressRatio_r = (state(g,ip,el)%p(6*ns+3*nt+j)/tau_twin(j))**constitutive_titanmod_r(myInstance) +! +! !* Shear rates and their derivatives due to twin +! if ( tau_twin(j) > 0.0_pReal ) then +! constitutive_titanmod_dotState(2*ns+j) = & +! (constitutive_titanmod_MaxTwinFraction(myInstance)-sumf)*& +! state(g,ip,el)%p(6*ns+4*nt+j)*constitutive_titanmod_Ndot0PerTwinSystem(f,myInstance)*exp(-StressRatio_r) +! endif +!************************************************************************* + !* Resolved shear stress on twin system tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,myStructure)) - !* Stress ratios - StressRatio_r = (state(g,ip,el)%p(6*ns+3*nt+j)/tau_twin(j))**constitutive_titanmod_r(myInstance) - - !* Shear rates and their derivatives due to twin - if ( tau_twin(j) > 0.0_pReal ) then - constitutive_titanmod_dotState(2*ns+j) = & - (constitutive_titanmod_MaxTwinFraction(myInstance)-sumf)*& - state(g,ip,el)%p(6*ns+4*nt+j)*constitutive_titanmod_Ndot0PerTwinSystem(f,myInstance)*exp(-StressRatio_r) - endif - enddo + + !* Stress ratio for edge + twinStressRatio_edge_p = ((abs(tau_twin(j)))/ & + ( constitutive_titanmod_twintau0e_PerTwinSystem(j,myInstance)+state(g,ip,el)%p(6*ns+4*nt+j)) & + )**(constitutive_titanmod_twinpe_PerTwinSystem(j,myInstance)) + + !* Stress ratio for screw + twinStressRatio_screw_p = ((abs(tau_twin(j)))/ & + ( constitutive_titanmod_twintau0s_PerTwinSystem(j,myInstance)+state(g,ip,el)%p(6*ns+5*nt+j)) & + )**(constitutive_titanmod_twinps_PerTwinSystem(j,myInstance)) + + if((1.0_pReal-twinStressRatio_edge_p)>0.001_pReal) then + twinminusStressRatio_edge_p=1.0_pReal-twinStressRatio_edge_p + else + twinminusStressRatio_edge_p=0.001_pReal + endif + + if((1-twinStressRatio_screw_p)>0.001_pReal) then + twinminusStressRatio_screw_p=1.0_pReal-twinStressRatio_screw_p + else + twinminusStressRatio_screw_p=0.001_pReal + endif + + !* Boltzmann ratio + BoltzmannRatio = constitutive_titanmod_twinf0_PerTwinSystem(j,myInstance)/(kB*Temperature) + +! if (tau_slip(j) == 0.0_pReal) then +! edge_velocity(j) = 0.0_pReal +! screw_velocity(j) = 0.0_pReal +! else + twinedge_velocity(j) =constitutive_titanmod_twinv0e_PerTwinSystem(j,myInstance)*exp(-BoltzmannRatio* & + (twinminusStressRatio_edge_p)** & + constitutive_titanmod_twinqe_PerTwinSystem(j,myInstance)) + twinscrew_velocity(j) =constitutive_titanmod_twinv0s_PerTwinSystem(j,myInstance)* & + exp(-BoltzmannRatio*(twinminusStressRatio_screw_p)** & + constitutive_titanmod_twinqs_PerTwinSystem(j,myInstance)) +! endif +! write(6,*) 'edge_segment(j) ',edge_segment(j) +! write(6,*) 'screw_segment(j) ',screw_segment(j) +! write(6,*) 'tau_slip(j) ',tau_slip(j) +! write(6,*) 'Temperature ',Temperature +! write(6,*) 'kB ',kB +! write(6,*) 'constitutive_titanmod_f0_PerSlipSystem(j,myInstance) ',constitutive_titanmod_f0_PerSlipSystem(j,myInstance) +! write(6,*) 'StressRatio_edge_p',StressRatio_edge_p,j +! write(6,*) 'StressRatio_screw_p',StressRatio_screw_p,j +! write(6,*) 'edge_velocity(j)',edge_velocity(j),j +! write(6,*) 'screw_velocity(j)',screw_velocity(j),j + !* Multiplication of edge dislocations + TwinDotRhoEdgeGeneration(j) = 2.0_pReal*(state(g,ip,el)%p(2*ns+nt+j)*twinscrew_velocity(j)/twinscrew_segment(j)) + !* Multiplication of screw dislocations + TwinDotRhoScrewGeneration(j) = 2.0_pReal*(state(g,ip,el)%p(2*ns+j)*twinedge_velocity(j)/twinedge_segment(j)) + + !* Annihilation of edge dislocations + TwinDotRhoEdgeAnnihilation(j) = -((state(g,ip,el)%p(2*ns+j))**2)* & + constitutive_titanmod_twincapre_PerTwinSystem(j,myInstance)*twinedge_velocity(j) + + !* Annihilation of screw dislocations + TwinDotRhoScrewAnnihilation(j) = -((state(g,ip,el)%p(2*ns+nt+j))**2)* & + constitutive_titanmod_twincaprs_PerTwinSystem(j,myInstance)*twinscrew_velocity(j) + + !* Edge dislocation density rate of change + constitutive_titanmod_dotState(2*ns+j) = & + TwinDotRhoEdgeGeneration(j)+TwinDotRhoEdgeAnnihilation(j) + + !* Screw dislocation density rate of change + constitutive_titanmod_dotState(2*ns+nt+j) = & + TwinDotRhoScrewGeneration(j)+TwinDotRhoScrewAnnihilation(j) + + enddo enddo !write(6,*) '#DOTSTATE#' @@ -1952,8 +2457,11 @@ do o = 1,phase_Noutput(material_phase(g,ip,el)) case('total_density') constitutive_titanmod_postResults(c+1:c+ns) = state(g,ip,el)%p(1:ns)+state(g,ip,el)%p(ns+1:2*ns) c = c + ns + case('rlengthprefactor') + constitutive_titanmod_postResults(c+1:c+ns) = state(g,ip,el)%p((14*ns+3*nt+1):(15*ns+3*nt)) + c = c + ns case ('twin_fraction') - constitutive_titanmod_postResults(c+1:c+nt) = state(g,ip,el)%p((2*ns+1):(2*ns+nt)) + constitutive_titanmod_postResults(c+1:c+nt) = state(g,ip,el)%p((6*ns+6*nt+1):(6*ns+7*nt)) c = c + nt end select