diff --git a/code/CPFEM.f90 b/code/CPFEM.f90 index 76fae6c8e..34a99b0f5 100644 --- a/code/CPFEM.f90 +++ b/code/CPFEM.f90 @@ -103,7 +103,9 @@ subroutine CPFEM_general(mode, ffn, ffn1, Temperature, dt, element, IP, cauchySt crystallite_Fp0, & crystallite_Fp, & crystallite_Lp0, & - crystallite_Lp + crystallite_Lp, & + crystallite_Tstar0_v, & + crystallite_Tstar_v use homogenization, only: homogenization_init, & homogenization_sizeState, & homogenization_state, & @@ -198,6 +200,7 @@ subroutine CPFEM_general(mode, ffn, ffn1, Temperature, dt, element, IP, cauchySt crystallite_F0 = crystallite_partionedF ! crystallite deformation (_subF is perturbed...) crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity + crystallite_Tstar0_v = crystallite_Tstar_v ! crystallite 2nd Piola Kirchhoff stress forall ( i = 1:homogenization_maxNgrains, & j = 1:mesh_maxNips, & k = 1:mesh_NcpElems ) & diff --git a/code/constitutive.f90 b/code/constitutive.f90 index 8b341a745..befb3d2a3 100644 --- a/code/constitutive.f90 +++ b/code/constitutive.f90 @@ -327,7 +327,7 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar, Tstar_v, Temperature, ip endsubroutine -subroutine constitutive_collectDotState(Tstar_v, Fp, invFp, Temperature, ipc, ip, el) +subroutine constitutive_collectDotState(Tstar_v, subTstar0_v, Fp, invFp, Temperature, subdt, ipc, ip, el) !********************************************************************* !* This subroutine contains the constitutive equation for * !* calculating the rate of change of microstructure * @@ -351,9 +351,9 @@ subroutine constitutive_collectDotState(Tstar_v, Fp, invFp, Temperature, ipc, ip !* Definition of variables integer(pInt) ipc,ip,el - real(pReal) Temperature + real(pReal) Temperature, subdt real(pReal), dimension(3,3) :: Fp, invFp - real(pReal), dimension(6) :: Tstar_v + real(pReal), dimension(6) :: Tstar_v, subTstar0_v select case (phase_constitution(material_phase(ipc,ip,el))) @@ -367,7 +367,8 @@ subroutine constitutive_collectDotState(Tstar_v, Fp, invFp, Temperature, ipc, ip constitutive_dotState(ipc,ip,el)%p = constitutive_dislobased_dotState(Tstar_v,Temperature,constitutive_state,ipc,ip,el) case (constitutive_nonlocal_label) - call constitutive_nonlocal_dotState(constitutive_dotState,Tstar_v,Fp,invFp,Temperature,constitutive_state,ipc,ip,el) + call constitutive_nonlocal_dotState(constitutive_dotState, Tstar_v, subTstar0_v, Fp, invFp, Temperature, subdt, & + constitutive_state, constitutive_subState0, ipc, ip, el) end select return diff --git a/code/constitutive_nonlocal.f90 b/code/constitutive_nonlocal.f90 index 806402475..207c4a5ea 100644 --- a/code/constitutive_nonlocal.f90 +++ b/code/constitutive_nonlocal.f90 @@ -17,15 +17,17 @@ implicit none !* Definition of parameters character (len=*), parameter :: constitutive_nonlocal_label = 'nonlocal' -character(len=16), dimension(7), parameter :: constitutive_nonlocal_stateList = (/ 'rhoEdgePos ', & +character(len=16), dimension(9), parameter :: constitutive_nonlocal_stateList = (/ 'rhoEdgePos ', & 'rhoEdgeNeg ', & 'rhoScrewPos ', & 'rhoScrewNeg ', & + 'rhoEdgeDip ', & + 'rhoScrewDip ', & 'rhoForest ', & 'tauSlipThreshold', & - 'backStress_v ' /) ! list of microstructural state variables -character(len=16), dimension(4), parameter :: constitutive_nonlocal_stateListBasic = constitutive_nonlocal_stateList(1:4) ! list of "basic" microstructural state variables that are independent from other state variables -character(len=16), dimension(3), parameter :: constitutive_nonlocal_stateListDependent = constitutive_nonlocal_stateList(5:7) ! list of microstructural state variables that depend on other state variables + 'Tdislocation_v ' /) ! list of microstructural state variables +character(len=16), dimension(6), parameter :: constitutive_nonlocal_stateListBasic = constitutive_nonlocal_stateList(1:6) ! list of "basic" microstructural state variables that are independent from other state variables +character(len=16), dimension(3), parameter :: constitutive_nonlocal_stateListDependent = constitutive_nonlocal_stateList(7:9) ! list of microstructural state variables that depend on other state variables real(pReal), parameter :: kB = 1.38e-23_pReal ! Physical parameter, Boltzmann constant in J/Kelvin @@ -50,19 +52,28 @@ real(pReal), dimension(:), allocatable :: constitutive_nonlocal_ constitutive_nonlocal_C33, & ! C33 element in elasticity matrix constitutive_nonlocal_C44, & ! C44 element in elasticity matrix constitutive_nonlocal_Gmod, & ! shear modulus - constitutive_nonlocal_nu ! poisson's ratio + constitutive_nonlocal_nu, & ! poisson's ratio + constitutive_nonlocal_atomicVolume, & ! atomic volume + constitutive_nonlocal_D0, & ! + constitutive_nonlocal_Qsd real(pReal), dimension(:,:,:), allocatable :: constitutive_nonlocal_Cslip_66 ! elasticity matrix in Mandel notation for each instance real(pReal), dimension(:,:,:,:,:), allocatable :: constitutive_nonlocal_Cslip_3333 ! elasticity matrix for each instance real(pReal), dimension(:,:), allocatable :: constitutive_nonlocal_rhoEdgePos0, & ! initial edge_pos dislocation density per slip system for each family and instance constitutive_nonlocal_rhoEdgeNeg0, & ! initial edge_neg dislocation density per slip system for each family and instance constitutive_nonlocal_rhoScrewPos0, & ! initial screw_pos dislocation density per slip system for each family and instance constitutive_nonlocal_rhoScrewNeg0, & ! initial screw_neg dislocation density per slip system for each family and instance - constitutive_nonlocal_v0BySlipFamily, & ! dislocation velocity prefactor [m/s] for each family and instance - constitutive_nonlocal_v0BySlipSystem, & ! dislocation velocity prefactor [m/s] for each slip system and instance - constitutive_nonlocal_lambda0BySlipFamily, & ! mean free path prefactor for each family and instance - constitutive_nonlocal_lambda0BySlipSystem, & ! mean free path prefactor for each slip system and instance - constitutive_nonlocal_burgersBySlipFamily, & ! absolute length of burgers vector [m] for each family and instance - constitutive_nonlocal_burgersBySlipSystem, & ! absolute length of burgers vector [m] for each slip system and instance + constitutive_nonlocal_rhoEdgeDip0, & ! initial edge dipole dislocation density per slip system for each family and instance + constitutive_nonlocal_rhoScrewDip0, & ! initial screw dipole dislocation density per slip system for each family and instance + constitutive_nonlocal_v0PerSlipFamily, & ! dislocation velocity prefactor [m/s] for each family and instance + constitutive_nonlocal_v0PerSlipSystem, & ! dislocation velocity prefactor [m/s] for each slip system and instance + constitutive_nonlocal_lambda0PerSlipFamily, & ! mean free path prefactor for each family and instance + constitutive_nonlocal_lambda0PerSlipSystem, & ! mean free path prefactor for each slip system and instance + constitutive_nonlocal_burgersPerSlipFamily, & ! absolute length of burgers vector [m] for each family and instance + constitutive_nonlocal_burgersPerSlipSystem, & ! absolute length of burgers vector [m] for each slip system and instance + constitutive_nonlocal_dDipMinEdgePerSlipFamily, & ! minimum stable edge dipole height for each family and instance + constitutive_nonlocal_dDipMinEdgePerSlipSystem, & ! minimum stable edge dipole height for each slip system and instance + constitutive_nonlocal_dDipMinScrewPerSlipFamily, & ! minimum stable screw dipole height for each family and instance + constitutive_nonlocal_dDipMinScrewPerSlipSystem, & ! minimum stable screw dipole height for each slip system and instance constitutive_nonlocal_interactionSlipSlip ! coefficients for slip-slip interaction for each interaction type and instance real(pReal), dimension(:,:,:), allocatable :: constitutive_nonlocal_forestProjectionEdge, & ! matrix of forest projections of edge dislocations for each instance @@ -155,43 +166,81 @@ if (maxNinstance == 0) return !*** space allocation for global variables -allocate(constitutive_nonlocal_sizeDotState(maxNinstance)); constitutive_nonlocal_sizeDotState = 0_pInt -allocate(constitutive_nonlocal_sizeState(maxNinstance)); constitutive_nonlocal_sizeState = 0_pInt -allocate(constitutive_nonlocal_sizePostResults(maxNinstance)); constitutive_nonlocal_sizePostResults = 0_pInt -allocate(constitutive_nonlocal_sizePostResult(maxval(phase_Noutput), maxNinstance));constitutive_nonlocal_sizePostResult = 0_pInt -allocate(constitutive_nonlocal_output(maxval(phase_Noutput), maxNinstance)); constitutive_nonlocal_output = '' +allocate(constitutive_nonlocal_sizeDotState(maxNinstance)) +allocate(constitutive_nonlocal_sizeState(maxNinstance)) +allocate(constitutive_nonlocal_sizePostResults(maxNinstance)) +allocate(constitutive_nonlocal_sizePostResult(maxval(phase_Noutput), maxNinstance)) +allocate(constitutive_nonlocal_output(maxval(phase_Noutput), maxNinstance)) +constitutive_nonlocal_sizeDotState = 0_pInt +constitutive_nonlocal_sizeState = 0_pInt +constitutive_nonlocal_sizePostResults = 0_pInt +constitutive_nonlocal_sizePostResult = 0_pInt +constitutive_nonlocal_output = '' -allocate(constitutive_nonlocal_structureName(maxNinstance)); constitutive_nonlocal_structureName = '' -allocate(constitutive_nonlocal_structure(maxNinstance)); constitutive_nonlocal_structure = 0_pInt -allocate(constitutive_nonlocal_Nslip(lattice_maxNslipFamily, maxNinstance)); constitutive_nonlocal_Nslip = 0_pInt -allocate(constitutive_nonlocal_slipFamily(lattice_maxNslip, maxNinstance)); constitutive_nonlocal_slipFamily = 0_pInt -allocate(constitutive_nonlocal_slipSystemLattice(lattice_maxNslip, maxNinstance)); constitutive_nonlocal_slipSystemLattice = 0_pInt -allocate(constitutive_nonlocal_totalNslip(maxNinstance)); constitutive_nonlocal_totalNslip = 0_pInt +allocate(constitutive_nonlocal_structureName(maxNinstance)) +allocate(constitutive_nonlocal_structure(maxNinstance)) +allocate(constitutive_nonlocal_Nslip(lattice_maxNslipFamily, maxNinstance)) +allocate(constitutive_nonlocal_slipFamily(lattice_maxNslip, maxNinstance)) +allocate(constitutive_nonlocal_slipSystemLattice(lattice_maxNslip, maxNinstance)) +allocate(constitutive_nonlocal_totalNslip(maxNinstance)) +constitutive_nonlocal_structureName = '' +constitutive_nonlocal_structure = 0_pInt +constitutive_nonlocal_Nslip = 0_pInt +constitutive_nonlocal_slipFamily = 0_pInt +constitutive_nonlocal_slipSystemLattice = 0_pInt +constitutive_nonlocal_totalNslip = 0_pInt -allocate(constitutive_nonlocal_CoverA(maxNinstance)); constitutive_nonlocal_CoverA = 0.0_pReal -allocate(constitutive_nonlocal_C11(maxNinstance)); constitutive_nonlocal_C11 = 0.0_pReal -allocate(constitutive_nonlocal_C12(maxNinstance)); constitutive_nonlocal_C12 = 0.0_pReal -allocate(constitutive_nonlocal_C13(maxNinstance)); constitutive_nonlocal_C13 = 0.0_pReal -allocate(constitutive_nonlocal_C33(maxNinstance)); constitutive_nonlocal_C33 = 0.0_pReal -allocate(constitutive_nonlocal_C44(maxNinstance)); constitutive_nonlocal_C44 = 0.0_pReal -allocate(constitutive_nonlocal_Gmod(maxNinstance)); constitutive_nonlocal_Gmod = 0.0_pReal -allocate(constitutive_nonlocal_nu(maxNinstance)); constitutive_nonlocal_nu = 0.0_pReal -allocate(constitutive_nonlocal_Cslip_66(6,6,maxNinstance)); constitutive_nonlocal_Cslip_66 = 0.0_pReal -allocate(constitutive_nonlocal_Cslip_3333(3,3,3,3,maxNinstance)); constitutive_nonlocal_Cslip_3333 = 0.0_pReal - -allocate(constitutive_nonlocal_rhoEdgePos0(lattice_maxNslipFamily, maxNinstance)); constitutive_nonlocal_rhoEdgePos0 = 0.0_pReal -allocate(constitutive_nonlocal_rhoEdgeNeg0(lattice_maxNslipFamily, maxNinstance)); constitutive_nonlocal_rhoEdgeNeg0 = 0.0_pReal -allocate(constitutive_nonlocal_rhoScrewPos0(lattice_maxNslipFamily, maxNinstance)); constitutive_nonlocal_rhoScrewPos0 = 0.0_pReal -allocate(constitutive_nonlocal_rhoScrewNeg0(lattice_maxNslipFamily, maxNinstance)); constitutive_nonlocal_rhoScrewNeg0 = 0.0_pReal -allocate(constitutive_nonlocal_v0BySlipFamily(lattice_maxNslipFamily, maxNinstance)); - constitutive_nonlocal_v0BySlipFamily = 0.0_pReal -allocate(constitutive_nonlocal_burgersBySlipFamily(lattice_maxNslipFamily, maxNinstance)); - constitutive_nonlocal_burgersBySlipFamily = 0.0_pReal -allocate(constitutive_nonlocal_Lambda0BySlipFamily(lattice_maxNslipFamily, maxNinstance)); - constitutive_nonlocal_lambda0BySlipFamily = 0.0_pReal +allocate(constitutive_nonlocal_CoverA(maxNinstance)) +allocate(constitutive_nonlocal_C11(maxNinstance)) +allocate(constitutive_nonlocal_C12(maxNinstance)) +allocate(constitutive_nonlocal_C13(maxNinstance)) +allocate(constitutive_nonlocal_C33(maxNinstance)) +allocate(constitutive_nonlocal_C44(maxNinstance)) +allocate(constitutive_nonlocal_Gmod(maxNinstance)) +allocate(constitutive_nonlocal_nu(maxNinstance)) +allocate(constitutive_nonlocal_atomicVolume(maxNinstance)) +allocate(constitutive_nonlocal_D0(maxNinstance)) +allocate(constitutive_nonlocal_Qsd(maxNinstance)) +allocate(constitutive_nonlocal_Cslip_66(6,6,maxNinstance)) +allocate(constitutive_nonlocal_Cslip_3333(3,3,3,3,maxNinstance)) +constitutive_nonlocal_CoverA = 0.0_pReal +constitutive_nonlocal_C11 = 0.0_pReal +constitutive_nonlocal_C12 = 0.0_pReal +constitutive_nonlocal_C13 = 0.0_pReal +constitutive_nonlocal_C33 = 0.0_pReal +constitutive_nonlocal_C44 = 0.0_pReal +constitutive_nonlocal_Gmod = 0.0_pReal +constitutive_nonlocal_atomicVolume = 0.0_pReal +constitutive_nonlocal_D0 = 0.0_pReal +constitutive_nonlocal_Qsd = 0.0_pReal +constitutive_nonlocal_nu = 0.0_pReal +constitutive_nonlocal_Cslip_66 = 0.0_pReal +constitutive_nonlocal_Cslip_3333 = 0.0_pReal +allocate(constitutive_nonlocal_rhoEdgePos0(lattice_maxNslipFamily, maxNinstance)) +allocate(constitutive_nonlocal_rhoEdgeNeg0(lattice_maxNslipFamily, maxNinstance)) +allocate(constitutive_nonlocal_rhoScrewPos0(lattice_maxNslipFamily, maxNinstance)) +allocate(constitutive_nonlocal_rhoScrewNeg0(lattice_maxNslipFamily, maxNinstance)) +allocate(constitutive_nonlocal_rhoEdgeDip0(lattice_maxNslipFamily, maxNinstance)) +allocate(constitutive_nonlocal_rhoScrewDip0(lattice_maxNslipFamily, maxNinstance)) +allocate(constitutive_nonlocal_v0PerSlipFamily(lattice_maxNslipFamily, maxNinstance)) +allocate(constitutive_nonlocal_burgersPerSlipFamily(lattice_maxNslipFamily, maxNinstance)) +allocate(constitutive_nonlocal_Lambda0PerSlipFamily(lattice_maxNslipFamily, maxNinstance)) allocate(constitutive_nonlocal_interactionSlipSlip(lattice_maxNinteraction, maxNinstance)) - constitutive_nonlocal_interactionSlipSlip = 0.0_pReal +allocate(constitutive_nonlocal_dDipMinEdgePerSlipFamily(lattice_maxNslipFamily, maxNinstance)) +allocate(constitutive_nonlocal_dDipMinScrewPerSlipFamily(lattice_maxNslipFamily, maxNinstance)) +constitutive_nonlocal_rhoEdgePos0 = 0.0_pReal +constitutive_nonlocal_rhoEdgeNeg0 = 0.0_pReal +constitutive_nonlocal_rhoScrewPos0 = 0.0_pReal +constitutive_nonlocal_rhoScrewNeg0 = 0.0_pReal +constitutive_nonlocal_rhoEdgeDip0 = 0.0_pReal +constitutive_nonlocal_rhoScrewDip0 = 0.0_pReal +constitutive_nonlocal_v0PerSlipFamily = 0.0_pReal +constitutive_nonlocal_burgersPerSlipFamily = 0.0_pReal +constitutive_nonlocal_lambda0PerSlipFamily = 0.0_pReal +constitutive_nonlocal_interactionSlipSlip = 0.0_pReal +constitutive_nonlocal_dDipMinEdgePerSlipFamily = 0.0_pReal +constitutive_nonlocal_dDipMinScrewPerSlipFamily = 0.0_pReal !*** readout data from material.config file @@ -244,12 +293,28 @@ do forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_rhoScrewPos0(f,i) = IO_floatValue(line,positions,1+f) case ('rhoscrewneg0') forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_rhoScrewNeg0(f,i) = IO_floatValue(line,positions,1+f) + case ('rhoedgedip0') + forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_rhoEdgeDip0(f,i) = IO_floatValue(line,positions,1+f) + case ('rhoscrewdip0') + forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_rhoScrewDip0(f,i) = IO_floatValue(line,positions,1+f) case ('v0') - forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_v0BySlipFamily(f,i) = IO_floatValue(line,positions,1+f) + forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_v0PerSlipFamily(f,i) = IO_floatValue(line,positions,1+f) case ('lambda0') - forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_lambda0BySlipFamily(f,i) = IO_floatValue(line,positions,1+f) + forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_lambda0PerSlipFamily(f,i) = IO_floatValue(line,positions,1+f) case ('burgers') - forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_burgersBySlipFamily(f,i) = IO_floatValue(line,positions,1+f) + forall (f = 1:lattice_maxNslipFamily) constitutive_nonlocal_burgersPerSlipFamily(f,i) = IO_floatValue(line,positions,1+f) + case('ddipminedge') + forall (f = 1:lattice_maxNslipFamily) & + constitutive_nonlocal_dDipMinEdgePerSlipFamily(f,i) = IO_floatValue(line,positions,1+f) + case('ddipminscrew') + forall (f = 1:lattice_maxNslipFamily) & + constitutive_nonlocal_dDipMinScrewPerSlipFamily(f,i) = IO_floatValue(line,positions,1+f) + case('atomicvolume') + constitutive_nonlocal_atomicVolume(i) = IO_floatValue(line,positions,2) + case('d0') + constitutive_nonlocal_D0(i) = IO_floatValue(line,positions,2) + case('qsd') + constitutive_nonlocal_Qsd(i) = IO_floatValue(line,positions,2) case ('interaction_slipslip') forall (it = 1:lattice_maxNinteraction) constitutive_nonlocal_interactionSlipSlip(it,i) = IO_floatValue(line,positions,1+it) end select @@ -274,12 +339,16 @@ enddo if (constitutive_nonlocal_rhoEdgeNeg0(f,i) < 0.0_pReal) call IO_error(220) if (constitutive_nonlocal_rhoScrewPos0(f,i) < 0.0_pReal) call IO_error(220) if (constitutive_nonlocal_rhoScrewNeg0(f,i) < 0.0_pReal) call IO_error(220) - if (constitutive_nonlocal_burgersBySlipFamily(f,i) <= 0.0_pReal) call IO_error(221) - if (constitutive_nonlocal_v0BySlipFamily(f,i) <= 0.0_pReal) call IO_error(-1) - if (constitutive_nonlocal_lambda0BySlipFamily(f,i) <= 0.0_pReal) call IO_error(-1) + if (constitutive_nonlocal_rhoEdgeDip0(f,i) < 0.0_pReal) call IO_error(220) + if (constitutive_nonlocal_rhoScrewDip0(f,i) < 0.0_pReal) call IO_error(220) + if (constitutive_nonlocal_burgersPerSlipFamily(f,i) <= 0.0_pReal) call IO_error(221) + if (constitutive_nonlocal_v0PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(-1) + if (constitutive_nonlocal_lambda0PerSlipFamily(f,i) <= 0.0_pReal) call IO_error(-1) + if (constitutive_nonlocal_dDipMinEdgePerSlipFamily(f,i) <= 0.0_pReal) call IO_error(-1) + if (constitutive_nonlocal_dDipMinScrewPerSlipFamily(f,i) <= 0.0_pReal) call IO_error(-1) endif enddo - if (sum(constitutive_nonlocal_interactionSlipSlip(:,i)) <= 0) call IO_error(-1) + if (sum(constitutive_nonlocal_interactionSlipSlip(:,i)) <= 0.0_pReal) call IO_error(-1) !*** determine total number of active slip systems @@ -294,18 +363,31 @@ enddo !*** allocation of variables whose size depends on the total number of active slip systems maxTotalNslip = maxval(constitutive_nonlocal_totalNslip) -allocate(constitutive_nonlocal_burgersBySlipSystem(maxTotalNslip, maxNinstance)) - constitutive_nonlocal_burgersBySlipSystem = 0.0_pReal -allocate(constitutive_nonlocal_v0BySlipSystem(maxTotalNslip, maxNinstance)) - constitutive_nonlocal_v0BySlipSystem = 0.0_pReal -allocate(constitutive_nonlocal_lambda0BySlipSystem(maxTotalNslip, maxNinstance)) - constitutive_nonlocal_lambda0BySlipSystem = 0.0_pReal + +allocate(constitutive_nonlocal_burgersPerSlipSystem(maxTotalNslip, maxNinstance)) +constitutive_nonlocal_burgersPerSlipSystem = 0.0_pReal + +allocate(constitutive_nonlocal_v0PerSlipSystem(maxTotalNslip, maxNinstance)) +constitutive_nonlocal_v0PerSlipSystem = 0.0_pReal + +allocate(constitutive_nonlocal_lambda0PerSlipSystem(maxTotalNslip, maxNinstance)) +constitutive_nonlocal_lambda0PerSlipSystem = 0.0_pReal + +allocate(constitutive_nonlocal_dDipMinEdgePerSlipSystem(maxTotalNslip, maxNinstance)) +constitutive_nonlocal_dDipMinEdgePerSlipSystem = 0.0_pReal + +allocate(constitutive_nonlocal_dDipMinScrewPerSlipSystem(maxTotalNslip, maxNinstance)) +constitutive_nonlocal_dDipMinScrewPerSlipSystem = 0.0_pReal + allocate(constitutive_nonlocal_forestProjectionEdge(maxTotalNslip, maxTotalNslip, maxNinstance)) - constitutive_nonlocal_forestProjectionEdge = 0.0_pReal +constitutive_nonlocal_forestProjectionEdge = 0.0_pReal + allocate(constitutive_nonlocal_forestProjectionScrew(maxTotalNslip, maxTotalNslip, maxNinstance)) - constitutive_nonlocal_forestProjectionScrew = 0.0_pReal +constitutive_nonlocal_forestProjectionScrew = 0.0_pReal + allocate(constitutive_nonlocal_interactionMatrixSlipSlip(maxTotalNslip, maxTotalNslip, maxNinstance)) - constitutive_nonlocal_interactionMatrixSlipSlip = 0.0_pReal +constitutive_nonlocal_interactionMatrixSlipSlip = 0.0_pReal + do i = 1,maxNinstance @@ -335,9 +417,13 @@ do i = 1,maxNinstance case( 'rho', & 'rho_edge', & 'rho_screw', & + 'excess_rho', & 'excess_rho_edge', & 'excess_rho_screw', & 'rho_forest', & + 'rho_dip', & + 'rho_edge_dip', & + 'rho_screw_dip', & 'shearrate', & 'resolvedstress', & 'resistance') @@ -383,17 +469,17 @@ do i = 1,maxNinstance constitutive_nonlocal_nu(i) = constitutive_nonlocal_C12(i) / constitutive_nonlocal_C11(i) -!*** burgers vector, dislocation velocity prefactor and mean free path prefactor for each slip system +!*** burgers vector, dislocation velocity prefactor, mean free path prefactor and minimum dipole distance for each slip system do s = 1,constitutive_nonlocal_totalNslip(i) - constitutive_nonlocal_burgersBySlipSystem(s,i) & - = constitutive_nonlocal_burgersBySlipFamily( constitutive_nonlocal_slipFamily(s,i), i ) + f = constitutive_nonlocal_slipFamily(s,i) - constitutive_nonlocal_v0BySlipSystem(s,i) = constitutive_nonlocal_v0BySlipFamily(constitutive_nonlocal_slipFamily(s,i),i) - - constitutive_nonlocal_lambda0BySlipSystem(s,i) & - = constitutive_nonlocal_lambda0BySlipFamily( constitutive_nonlocal_slipFamily(s,i), i ) + constitutive_nonlocal_burgersPerSlipSystem(s,i) = constitutive_nonlocal_burgersPerSlipFamily(f,i) + constitutive_nonlocal_v0PerSlipSystem(s,i) = constitutive_nonlocal_v0PerSlipFamily(f,i) + constitutive_nonlocal_lambda0PerSlipSystem(s,i) = constitutive_nonlocal_lambda0PerSlipFamily(f,i) + constitutive_nonlocal_dDipMinEdgePerSlipSystem(s,i) = constitutive_nonlocal_dDipMinEdgePerSlipFamily(f,i) + constitutive_nonlocal_dDipMinScrewPerSlipSystem(s,i) = constitutive_nonlocal_dDipMinScrewPerSlipFamily(f,i) enddo @@ -457,6 +543,8 @@ real(pReal), dimension(constitutive_nonlocal_totalNslip(myInstance)) :: & rhoEdgeNeg, & ! negative edge dislocation density rhoScrewPos, & ! positive screw dislocation density rhoScrewNeg, & ! negative screw dislocation density + rhoEdgeDip, & ! edge dipole dislocation density + rhoScrewDip, & ! screw dipole dislocation density rhoForest, & ! forest dislocation density tauSlipThreshold ! threshold shear stress for slip integer(pInt) ns, & ! short notation for total number of active slip systems @@ -483,22 +571,25 @@ do f = 1,lattice_maxNslipFamily rhoEdgeNeg(s) = constitutive_nonlocal_rhoEdgeNeg0(f, myInstance) rhoScrewPos(s) = constitutive_nonlocal_rhoScrewPos0(f, myInstance) rhoScrewNeg(s) = constitutive_nonlocal_rhoScrewNeg0(f, myInstance) - -enddo; enddo + rhoEdgeDip(s) = constitutive_nonlocal_rhoEdgeDip0(f, myInstance) + rhoScrewDip(s) = constitutive_nonlocal_rhoScrewDip0(f, myInstance) + enddo +enddo !*** calculate the dependent state variables ! forest dislocation density forall (s = 1:ns) & - rhoForest(s) = dot_product( (rhoEdgePos + rhoEdgeNeg), constitutive_nonlocal_forestProjectionEdge(1:ns, s, myInstance) ) & - + dot_product( (rhoScrewPos + rhoScrewNeg), constitutive_nonlocal_forestProjectionScrew(1:ns, s, myInstance) ) ! calculation of forest dislocation density as projection of screw and edge dislocations + rhoForest(s) & + = dot_product( (rhoEdgePos + rhoEdgeNeg + rhoEdgeDip), constitutive_nonlocal_forestProjectionEdge(1:ns, s, myInstance) ) & + + dot_product( (rhoScrewPos + rhoScrewNeg + rhoScrewDip), constitutive_nonlocal_forestProjectionScrew(1:ns, s, myInstance) ) ! calculation of forest dislocation density as projection of screw and edge dislocations ! threshold shear stress for dislocation slip forall (s = 1:ns) & tauSlipThreshold(s) = constitutive_nonlocal_Gmod(myInstance) & - * constitutive_nonlocal_burgersBySlipSystem(s, myInstance) & + * constitutive_nonlocal_burgersPerSlipSystem(s, myInstance) & * sqrt( dot_product( (rhoEdgePos + rhoEdgeNeg + rhoScrewPos + rhoScrewNeg), & constitutive_nonlocal_interactionMatrixSlipSlip(1:ns, s, myInstance) ) ) @@ -509,8 +600,10 @@ constitutive_nonlocal_stateInit( 1: ns) = rhoEdgePos constitutive_nonlocal_stateInit( ns+1:2*ns) = rhoEdgeNeg constitutive_nonlocal_stateInit(2*ns+1:3*ns) = rhoScrewPos constitutive_nonlocal_stateInit(3*ns+1:4*ns) = rhoScrewNeg -constitutive_nonlocal_stateInit(4*ns+1:5*ns) = rhoForest -constitutive_nonlocal_stateInit(5*ns+1:6*ns) = tauSlipThreshold +constitutive_nonlocal_stateInit(4*ns+1:5*ns) = rhoEdgeDip +constitutive_nonlocal_stateInit(5*ns+1:6*ns) = rhoScrewDip +constitutive_nonlocal_stateInit(6*ns+1:7*ns) = rhoForest +constitutive_nonlocal_stateInit(7*ns+1:8*ns) = tauSlipThreshold endfunction @@ -566,6 +659,7 @@ use math, only: math_Plain3333to99, & math_mul3x3, & math_mul33x3, & pi +use debug, only: debugger use mesh, only: mesh_NcpElems, & mesh_maxNips, & mesh_element, & @@ -615,14 +709,16 @@ real(pReal) gb, & ! short notation f y, & ! coordinate in direction of bvec z ! coordinate in direction of nvec real(pReal), dimension(3) :: connectingVector ! vector connecting the centers of gravity of me and my neigbor -real(pReal), dimension(6) :: backStress_v ! backstress resulting from the neighboring excess dislocation densities as 2nd Piola-Kirchhoff stress in Mandel notation +real(pReal), dimension(6) :: Tdislocation_v ! dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress in Mandel notation real(pReal), dimension(3,3) :: transform, & ! orthogonal transformation matrix from slip coordinate system with e1=bxn, e2=b, e3=n to lattice coordinate system - sigma ! backstress resulting from the excess dislocation density of a single slip system and a single neighbor calculated in the coordinate system of the slip system + sigma ! Tdislocation resulting from the excess dislocation density of a single slip system and a single neighbor calculated in the coordinate system of the slip system real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: & rhoEdgePos, & ! positive edge dislocation density rhoEdgeNeg, & ! negative edge dislocation density rhoScrewPos, & ! positive screw dislocation density rhoScrewNeg, & ! negative screw dislocation density + rhoEdgeDip, & ! edge dipole dislocation density + rhoScrewDip, & ! screw dipole dislocation density rhoForest, & ! forest dislocation density tauSlipThreshold, & ! threshold shear stress neighboring_rhoEdgePos, & ! positive edge dislocation density of my neighbor @@ -643,10 +739,12 @@ ns = constitutive_nonlocal_totalNslip(myInstance) !********************************************************************** !*** get basic states -rhoEdgePos = state(g,ip,el)%p( 1: ns) -rhoEdgeNeg = state(g,ip,el)%p( ns+1:2*ns) +rhoEdgePos = state(g,ip,el)%p( 1: ns) +rhoEdgeNeg = state(g,ip,el)%p( ns+1:2*ns) rhoScrewPos = state(g,ip,el)%p(2*ns+1:3*ns) rhoScrewNeg = state(g,ip,el)%p(3*ns+1:4*ns) +rhoEdgeDip = state(g,ip,el)%p(4*ns+1:5*ns) +rhoScrewDip = state(g,ip,el)%p(5*ns+1:6*ns) !********************************************************************** @@ -655,25 +753,27 @@ rhoScrewNeg = state(g,ip,el)%p(3*ns+1:4*ns) !*** calculate the forest dislocation density forall (s = 1:ns) & - rhoForest(s) = dot_product( (rhoEdgePos + rhoEdgeNeg), constitutive_nonlocal_forestProjectionEdge(1:ns, s, myInstance) ) & - + dot_product( (rhoScrewPos + rhoScrewNeg), constitutive_nonlocal_forestProjectionScrew(1:ns, s, myInstance) ) ! calculation of forest dislocation density as projection of screw and edge dislocations - + rhoForest(s) & + = dot_product( (rhoEdgePos + rhoEdgeNeg + rhoEdgeDip), constitutive_nonlocal_forestProjectionEdge(1:ns, s, myInstance) ) & + + dot_product( (rhoScrewPos + rhoScrewNeg + rhoScrewDip), constitutive_nonlocal_forestProjectionScrew(1:ns, s, myInstance) ) ! calculation of forest dislocation density as projection of screw and edge dislocations +! if (debugger) write(6,'(a23,3(i3,x),/,12(e10.3,x),/)') 'forest dislocation density at ',g,ip,el, rhoForest !*** calculate the threshold shear stress for dislocation slip forall (s = 1:ns) & tauSlipThreshold(s) = constitutive_nonlocal_Gmod(myInstance) & - * constitutive_nonlocal_burgersBySlipSystem(s, myInstance) & + * constitutive_nonlocal_burgersPerSlipSystem(s, myInstance) & * sqrt( dot_product( (rhoEdgePos + rhoEdgeNeg + rhoScrewPos + rhoScrewNeg), & constitutive_nonlocal_interactionMatrixSlipSlip(1:ns, s, myInstance) ) ) - - -!*** calculate the backstress of the neighboring excess dislocation densities - -backStress_v = 0.0_pReal +! if (debugger) write(6,'(a26,3(i3,x),/,12(f10.5,x),/)') 'tauSlipThreshold / MPa at ',g,ip,el, tauSlipThreshold/1e6 -! loop through my neighbors (if it exists!) +!*** calculate the dislocation stress of the neighboring excess dislocation densities + +Tdislocation_v = 0.0_pReal + + +! loop through my neighbors (if existent!) do n = 1,FE_NipNeighbors(mesh_element(2,el)) @@ -715,7 +815,7 @@ do n = 1,FE_NipNeighbors(mesh_element(2,el)) ! calculate the back stress in the slip coordinate system for this slip system - gb = constitutive_nonlocal_Gmod(myInstance) * constitutive_nonlocal_burgersBySlipSystem(s,myInstance) / (2.0_pReal*pi) + gb = constitutive_nonlocal_Gmod(myInstance) * constitutive_nonlocal_burgersPerSlipSystem(s,myInstance) / (2.0_pReal*pi) sigma(2,2) = - gb * neighboring_Nedge(s) / (1.0_pReal-constitutive_nonlocal_nu(myInstance)) & * z * (3.0_pReal*y**2.0_pReal + z**2.0_pReal) / (y**2.0_pReal + z**2.0_pReal)**2.0_pReal @@ -737,8 +837,9 @@ do n = 1,FE_NipNeighbors(mesh_element(2,el)) sigma(3,1) = 0.0_pReal ! coordinate transformation from the slip coordinate system to the lattice coordinate system - backStress_v = backStress_v + math_Mandel33to6( math_mul33x33(transpose(transform), math_mul33x33(sigma, transform) ) ) - + Tdislocation_v = Tdislocation_v + math_Mandel33to6( math_mul33x33(transpose(transform), math_mul33x33(sigma, transform) ) ) + ! if (debugger) write(6,'(a15,3(i3,x),/,3(3(f12.3,x)/))') 'sigma / MPa at ',g,ip,el, sigma/1e6 + ! if (debugger) write(6,'(a15,3(i3,x),/,3(3(f12.3,x)/))') 'Tdislocation / MPa at ',g,ip,el, math_Mandel6to33(Tdislocation_v/1e6) enddo enddo @@ -746,9 +847,9 @@ enddo !********************************************************************** !*** set dependent states -state(g,ip,el)%p(4*ns+1:5*ns) = rhoForest -state(g,ip,el)%p(5*ns+1:6*ns) = tauSlipThreshold -state(g,ip,el)%p(6*ns+1:6*ns+6) = backstress_v +state(g,ip,el)%p(6*ns+1:7*ns) = rhoForest +state(g,ip,el)%p(7*ns+1:8*ns) = tauSlipThreshold +state(g,ip,el)%p(8*ns+1:8*ns+6) = Tdislocation_v endsubroutine @@ -800,9 +901,9 @@ integer(pInt) myInstance, & ! curren t, & ! dislocation type s, & ! index of my current slip system sLattice ! index of my current slip system as specified by lattice -real(pReal), dimension(6) :: backStress_v ! backstress resulting from the neighboring excess dislocation densities as 2nd Piola-Kirchhoff stress +real(pReal), dimension(6) :: Tdislocation_v ! dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress real(pReal), dimension(3,3,3,3) :: dLp_dTstar3333 ! derivative of Lp with respect to Tstar (3x3x3x3 matrix) -real(pReal), dimension(4,constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: & +real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: & rho ! dislocation densities real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: & rhoForest, & ! forest dislocation density @@ -827,39 +928,43 @@ ns = constitutive_nonlocal_totalNslip(myInstance) !*** shortcut to state variables -forall (t = 1:4) rho(t,:) = state(g,ip,el)%p((t-1)*ns+1:t*ns) -rhoForest = state(g,ip,el)%p(4*ns+1:5*ns) -tauSlipThreshold = state(g,ip,el)%p(5*ns+1:6*ns) -backStress_v = state(g,ip,el)%p(6*ns+1:6*ns+6) -! if (debugger) write(6,'(a20,3(i3,x),/,3(3(f12.3,x)/))') 'backstress / MPa at ', g,ip,el, math_Mandel6to33(backStress_v/1e6) +forall (t = 1:4) rho(:,t) = state(g,ip,el)%p((t-1)*ns+1:t*ns) +rhoForest = state(g,ip,el)%p(6*ns+1:7*ns) +tauSlipThreshold = state(g,ip,el)%p(7*ns+1:8*ns) +Tdislocation_v = state(g,ip,el)%p(8*ns+1:8*ns+6) +! if (debugger) write(6,'(a20,3(i3,x),/,3(3(f12.3,x)/))') 'Tdislocation / MPa at ', g,ip,el, math_Mandel6to33(Tdislocation_v/1e6) ! if (debugger) write(6,'(a15,3(i3,x),/,3(3(f12.3,x)/))') 'Tstar / MPa at ',g,ip,el, math_Mandel6to33(Tstar_v/1e6) -!*** loop over slip systems + +!*** calculation of resolved stress + +forall (s =1:ns) & + tauSlip(s) = math_mul6x6( Tstar_v + Tdislocation_v, & + lattice_Sslip_v(:,constitutive_nonlocal_slipSystemLattice(s,myInstance),myStructure) ) + + +!*** Calculation of gdot and its tangent + +v = constitutive_nonlocal_v0PerSlipSystem(:,myInstance) & + * exp( - ( tauSlipThreshold - abs(tauSlip) ) * constitutive_nonlocal_burgersPerSlipSystem(:,myInstance)**2.0_pReal & + / ( kB * Temperature * sqrt(rhoForest) ) ) & + * sign(1.0_pReal,tauSlip) + +gdotSlip = sum(rho,2) * constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) * v + +dgdot_dtauSlip = gdotSlip * constitutive_nonlocal_burgersPerSlipSystem(:,myInstance)**2.0_pReal & + / ( kB * Temperature * sqrt(rhoForest) ) + + +!*** Calculation of Lp and its tangent do s = 1,ns sLattice = constitutive_nonlocal_slipSystemLattice(s,myInstance) - - !*** Calculation of Lp - - tauSlip(s) = math_mul6x6( Tstar_v + backStress_v, lattice_Sslip_v(:,sLattice,myStructure) ) - - if (rhoForest(s) > 0.0_pReal) & - v(s) = constitutive_nonlocal_v0BySlipSystem(s,myInstance) & - * exp( - ( tauSlipThreshold(s) - abs(tauSlip(s)) ) * constitutive_nonlocal_burgersBySlipSystem(s,myInstance)**2.0_pReal & - / ( kB * Temperature * sqrt(rhoForest(s)) ) ) & - * sign(1.0_pReal,tauSlip(s)) - - gdotSlip(s) = sum(rho(:,s)) * constitutive_nonlocal_burgersBySlipSystem(s,myInstance) * v(s) Lp = Lp + gdotSlip(s) * lattice_Sslip(:,:,sLattice,myStructure) ! if (debugger) write(6,'(a4,i2,a3,/,3(3(f15.7)/))') 'dLp(',s,'): ',gdotSlip(s) * lattice_Sslip(:,:,sLattice,myStructure) - !*** Calculation of the tangent of Lp - - dgdot_dtauSlip(s) = gdotSlip(s) * constitutive_nonlocal_burgersBySlipSystem(s,myInstance)**2.0_pReal & - / ( kB * Temperature * sqrt(rhoForest(s)) ) - forall (i=1:3,j=1:3,k=1:3,l=1:3) & dLp_dTstar3333(i,j,k,l) = dLp_dTstar3333(i,j,k,l) + dgdot_dtauSlip(s) * lattice_Sslip(i,j, sLattice,myStructure) & * lattice_Sslip(k,l, sLattice,myStructure) @@ -867,12 +972,16 @@ enddo dLp_dTstar99 = math_Plain3333to99(dLp_dTstar3333) -! if (debugger) write(6,'(a23,3(i3,x),/,12(e10.3,x),/)') 'dislocation density at ',g,ip,el, rho -! if (debugger) write(6,'(a26,3(i3,x),/,12(f10.5,x),/)') 'tauSlipThreshold / MPa at ',g,ip,el, tauSlipThreshold/1e6 -! if (debugger) write(6,'(a15,3(i3,x),/,12(f10.5,x),/)') 'tauSlip / MPa at ',g,ip,el, tauSlip/1e6 -! if (debugger) write(6,'(a5,3(i3,x),/,12(e10.3,x),/)') 'v at ',g,ip,el, v -! if (debugger) write(6,'(a15,3(i3,x),/,12(e10.3,x),/)') 'gdotSlip at ',g,ip,el, gdotSlip -! if (debugger) write(6,'(a6,3(i3,x),/,3(3(f15.7)/))') 'Lp at ',g,ip,el, Lp +! if (debugger) then + ! !$OMP CRITICAL (write2out) + ! write(6,*) '::: LpandItsTangent',g,ip,el + ! write(6,*) + ! write(6,'(a,/,12(f12.5,x))') 'gdot/1e-3',gdotSlip*1e3_pReal + ! write(6,*) + ! write(6,'(a,/,3(3(f12.7,x)/))') 'Lp',Lp + ! write(6,*) + ! !$OMPEND CRITICAL (write2out) +! endif endsubroutine @@ -881,7 +990,7 @@ endsubroutine !********************************************************************* !* rate of change of microstructure * !********************************************************************* -subroutine constitutive_nonlocal_dotState(dotState, Tstar_v, Fp, invFp, Temperature, state, g, ip, el) +subroutine constitutive_nonlocal_dotState(dotState, Tstar_v, subTstar0_v, Fp, invFp, Temperature, subdt, state, subState0, g,ip,el) use prec, only: pReal, & pInt, & @@ -891,7 +1000,8 @@ use math, only: math_norm3, & math_mul6x6, & math_mul3x3, & math_mul33x3, & - math_transpose3x3 + math_transpose3x3, & + pi use mesh, only: mesh_NcpElems, & mesh_maxNips, & mesh_element, & @@ -916,12 +1026,15 @@ implicit none integer(pInt), intent(in) :: g, & ! current grain number ip, & ! current integration point el ! current element number -real(pReal), intent(in) :: Temperature ! temperature -real(pReal), dimension(6), intent(in) :: Tstar_v ! 2nd Piola-Kirchhoff stress in Mandel notation +real(pReal), intent(in) :: Temperature, & ! temperature + subdt ! substepped crystallite time increment +real(pReal), dimension(6), intent(in) :: Tstar_v, & ! current 2nd Piola-Kirchhoff stress in Mandel notation + subTstar0_v ! 2nd Piola-Kirchhoff stress in Mandel notation at start of crystallite increment real(pReal), dimension(3,3), intent(in) :: Fp, & ! plastic deformation gradient invFp ! inverse of plastic deformation gradient type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: & - state ! microstructural state + state, & ! current microstructural state + subState0 ! microstructural state at start of crystallite increment !*** input/output variables type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(inout) :: & @@ -935,86 +1048,117 @@ integer(pInt) myInstance, & ! current ns, & ! short notation for the total number of active slip systems neighboring_el, & ! element number of my neighbor neighboring_ip, & ! integration point of my neighbor + c, & ! character of dislocation n, & ! index of my current neighbor t, & ! type of dislocation s ! index of my current slip system -real(pReal), dimension(4,constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: & - rho, & ! dislocation densities +real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: & + rho, & ! dislocation densities (positive/negative screw and edge without dipoles) + rhoDot, & ! rate of change of dislocation densities gdot, & ! shear rates lineLength ! dislocation line length leaving the current interface real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: & rhoForest, & ! forest dislocation density tauSlipThreshold, & ! threshold shear stress - tauSlip, & ! resolved shear stress + tauSlip, & ! current resolved shear stress + subTauSlip0, & ! resolved shear stress at start of crystallite increment v, & ! dislocation velocity - invLambda ! inverse of mean free path for dislocations -real(pReal), dimension(3,4,constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el)))) :: & + invLambda, & ! inverse of mean free path for dislocations + vClimb ! climb velocity of edge dipoles +real(pReal), dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),2) :: & + rhoDip, & ! dipole dislocation densities (screw and edge dipoles) + rhoDipDot, & ! rate of change of dipole dislocation densities + rhoDotTransfer, & ! dislocation density rate that is transferred from single dislocation to dipole dislocation + dDipMin, & ! minimum stable dipole distance for edges and screws + dDipMax, & ! current maximum stable dipole distance for edges and screws + dDipMax0, & ! maximum stable dipole distance for edges and screws at start of crystallite increment + dDipMaxDot ! rate of change of the maximum stable dipole distance for edges and screws +real(pReal), dimension(3,constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(g,ip,el))),4) :: & m ! direction of dislocation motion -real(pReal), dimension(6) :: backStress_v ! backstress resulting from the neighboring excess dislocation densities as 2nd Piola-Kirchhoff stress +real(pReal), dimension(6) :: Tdislocation_v, & ! current dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress + subTdislocation0_v ! dislocation stress (resulting from the neighboring excess dislocation densities) as 2nd Piola-Kirchhoff stress at start of crystallite increment real(pReal), dimension(3) :: surfaceNormal ! surface normal of the current interface real(pReal) norm_surfaceNormal, & ! euclidic norm of the surface normal - area ! area of the current interface + area, & ! area of the current interface + D ! self diffusion + - myInstance = phase_constitutionInstance(material_phase(g,ip,el)) myStructure = constitutive_nonlocal_structure(myInstance) ns = constitutive_nonlocal_totalNslip(myInstance) tauSlip = 0.0_pReal +subTauSlip0 = 0.0_pReal v = 0.0_pReal gdot = 0.0_pReal +dDipMin = 0.0_pReal +dDipMax = 0.0_pReal +dDipMax0 = 0.0_pReal +dDipMaxDot = 0.0_pReal +rhoDot = 0.0_pReal +rhoDipDot = 0.0_pReal +rhoDotTransfer = 0.0_pReal !*** shortcut to state variables -forall (t = 1:4) rho(t,:) = state(g,ip,el)%p((t-1)*ns+1:t*ns) -rhoForest = state(g,ip,el)%p(4*ns+1:5*ns) -tauSlipThreshold = state(g,ip,el)%p(5*ns+1:6*ns) -backStress_v = state(g,ip,el)%p(6*ns+1:6*ns+6) +forall (t = 1:4) rho(:,t) = state(g,ip,el)%p((t-1)*ns+1:t*ns) +forall (c = 1:2) rhoDip(:,c) = state(g,ip,el)%p((3+c)*ns+1:(4+c)*ns) +rhoForest = state(g,ip,el)%p(6*ns+1:7*ns) +tauSlipThreshold = state(g,ip,el)%p(7*ns+1:8*ns) +Tdislocation_v = state(g,ip,el)%p(8*ns+1:8*ns+6) +subTdislocation0_v = subState0(g,ip,el)%p(8*ns+1:8*ns+6) !**************************************************************************** !*** Calculate shear rate -do s = 1,ns +do s = 1,ns ! loop over slip systems - tauSlip(s) = math_mul6x6( Tstar_v + backStress_v, & + tauSlip(s) = math_mul6x6( Tstar_v + Tdislocation_v, & + lattice_Sslip_v(:,constitutive_nonlocal_slipSystemLattice(s,myInstance),myStructure) ) + + subTauSlip0(s) = math_mul6x6( subTstar0_v + subTdislocation0_v, & lattice_Sslip_v(:,constitutive_nonlocal_slipSystemLattice(s,myInstance),myStructure) ) - - forall (s = 1:ns, rhoForest(s) > 0.0_pReal) & - v(s) = constitutive_nonlocal_v0BySlipSystem(s,myInstance) & - * exp( - ( tauSlipThreshold(s) - abs(tauSlip(s)) ) * constitutive_nonlocal_burgersBySlipSystem(s,myInstance)**2.0_pReal & - / ( kB * Temperature * sqrt(rhoForest(s)) ) ) & - * sign(1.0_pReal,tauSlip(s)) - - forall (t = 1:4, s = 1:ns) & - gdot(t,s) = rho(t,s) * constitutive_nonlocal_burgersBySlipSystem(s,myInstance) * v(s) - enddo +v = constitutive_nonlocal_v0PerSlipSystem(:,myInstance) & + * exp( - ( tauSlipThreshold - abs(tauSlip) ) * constitutive_nonlocal_burgersPerSlipSystem(:,myInstance)**2.0_pReal & + / ( kB * Temperature * sqrt(rhoForest) ) ) & + * sign(1.0_pReal,tauSlip) + +forall (t = 1:4) & + gdot(:,t) = rho(:,t) * constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) * v + !**************************************************************************** !*** calculate dislocation multiplication -invLambda = sqrt(rhoForest) / constitutive_nonlocal_lambda0BySlipSystem(:,myInstance) +invLambda = sqrt(rhoForest) / constitutive_nonlocal_lambda0PerSlipSystem(:,myInstance) -forall (t = 1:4) & - dotState(1,ip,el)%p((t-1)*ns+1:t*ns) = dotState(1,ip,el)%p((t-1)*ns+1:t*ns) + 0.25_pReal * sum(abs(gdot),1) * invLambda & - / constitutive_nonlocal_burgersBySlipSystem(:,myInstance) -! if (debugger) write(6,'(a30,3(i3,x),/,12(e10.3,x),/)') 'dislocation multiplication at ',g,ip,el, & - ! 0.25_pReal * sum(abs(gdot),1) * invLambda / constitutive_nonlocal_burgersBySlipSystem(:,myInstance) +rhoDot = rhoDot + spread(0.25_pReal * sum(abs(gdot),2) * invLambda / constitutive_nonlocal_burgersPerSlipSystem(:,myInstance), 2, 4) +if (debugger) then + write(6,*) '::: constitutive_nonlocal_dotState at ',g,ip,el + write(6,*) + write(6,'(a,/,12(f12.5,x),/)') 'tauSlip / MPa', tauSlip/1e6_pReal + write(6,'(a,/,12(f12.5,x),/)') 'tauSlipThreshold / MPa', tauSlipThreshold/1e6_pReal + ! write(6,'(a,/,12(e10.3,x),/)') 'v', v + write(6,'(a,/,4(12(f12.5,x),/))') 'gdot / 1e-3', gdot*1e3_pReal + write(6,'(a,/,(12(f12.5,x),/))') 'gdot total/ 1e-3', sum(gdot,2)*1e3_pReal + write(6,'(a,/,6(12(e12.5,x),/))') 'dislocation multiplication', & + spread(0.25_pReal * sum(abs(gdot),2) * invLambda / constitutive_nonlocal_burgersPerSlipSystem(:,myInstance), 2, 4)*subdt, & + 0.0_pReal*rhoDotTransfer +endif !**************************************************************************** !*** calculate dislocation fluxes -! Direction of dislocation motion -m(:,1,:) = lattice_sd(:, constitutive_nonlocal_slipSystemLattice(:,myInstance), myStructure) -m(:,2,:) = -lattice_sd(:, constitutive_nonlocal_slipSystemLattice(:,myInstance), myStructure) -m(:,3,:) = lattice_st(:, constitutive_nonlocal_slipSystemLattice(:,myInstance), myStructure) -m(:,4,:) = -lattice_st(:, constitutive_nonlocal_slipSystemLattice(:,myInstance), myStructure) +m(:,:,1) = lattice_sd(:, constitutive_nonlocal_slipSystemLattice(:,myInstance), myStructure) +m(:,:,2) = -lattice_sd(:, constitutive_nonlocal_slipSystemLattice(:,myInstance), myStructure) +m(:,:,3) = lattice_st(:, constitutive_nonlocal_slipSystemLattice(:,myInstance), myStructure) +m(:,:,4) = -lattice_st(:, constitutive_nonlocal_slipSystemLattice(:,myInstance), myStructure) -! loop through my neighbors -do n = 1,FE_NipNeighbors(mesh_element(2,el)) +do n = 1,FE_NipNeighbors(mesh_element(2,el)) ! loop through my neighbors neighboring_el = mesh_ipNeighborhood(1,n,ip,el) neighboring_ip = mesh_ipNeighborhood(2,n,ip,el) @@ -1025,36 +1169,125 @@ do n = 1,FE_NipNeighbors(mesh_element(2,el)) surfaceNormal = surfaceNormal / norm_surfaceNormal area = mesh_ipArea(n,ip,el) / norm_surfaceNormal - ! loop through my interfaces - do s = 1,ns + lineLength = 0.0_pReal - lineLength = 0.0_pReal - - ! loop through dislocation types - do t = 1,4 - if ( sign(1.0_pReal,math_mul3x3(m(:,t,s),surfaceNormal)) == sign(1.0_pReal,gdot(t,s)) ) then + do s = 1,ns ! loop over slip systems + + do t = 1,4 ! loop over dislocation types + + if ( sign(1.0_pReal,math_mul3x3(m(:,s,t),surfaceNormal)) == sign(1.0_pReal,gdot(s,t)) ) then - ! dislocation line length that leaves this interface per second - lineLength(t,s) = gdot(t,s) / constitutive_nonlocal_burgersBySlipSystem(s,myInstance) & - * math_mul3x3(m(:,t,s),surfaceNormal) * area + lineLength(s,t) = gdot(s,t) / constitutive_nonlocal_burgersPerSlipSystem(s,myInstance) & + * math_mul3x3(m(:,s,t),surfaceNormal) * area ! dislocation line length that leaves this interface per second - ! subtract dislocation density rate (= line length over volume) that leaves through an interface from my dotState ... - dotState(1,ip,el)%p((t-1)*ns+s) = dotState(1,ip,el)%p((t-1)*ns+s) - lineLength(t,s) / mesh_ipVolume(ip,el) + rhoDot(s,t) = rhoDot(s,t) - lineLength(s,t) / mesh_ipVolume(ip,el) ! subtract dislocation density rate (= line length over volume) that leaves through an interface from my dotState ... - ! ... and add them to the neighboring dotState (if neighbor exists) if ( neighboring_el > 0 .and. neighboring_ip > 0 ) then !***************************************************************************************************** !*** OMP locking for this neighbor missing !***************************************************************************************************** dotState(1,neighboring_ip,neighboring_el)%p((t-1)*ns+s) = dotState(1,neighboring_ip,neighboring_el)%p((t-1)*ns+s) & - + lineLength(t,s) / mesh_ipVolume(neighboring_ip,neighboring_el) + + lineLength(s,t) / mesh_ipVolume(neighboring_ip,neighboring_el) ! ... and add it to the neighboring dotState (if neighbor exists) endif endif enddo - enddo - enddo +if (debugger) write(6,'(a,/,6(12(e12.5,x),/))') 'dislocation flux', lineLength/mesh_ipVolume(ip,el)*subdt, 0.0_pReal*rhoDotTransfer + + +!**************************************************************************** +!*** calculate dipole formation and annihilation + +!*** limits for stable dipole height and its tate of change + +dDipMin(:,1) = constitutive_nonlocal_dDipMinEdgePerSlipSystem(:,myInstance) +dDipMin(:,2) = constitutive_nonlocal_dDipMinScrewPerSlipSystem(:,myInstance) +dDipMax(:,2) = constitutive_nonlocal_Gmod(myInstance) * constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) & + / ( 8.0_pReal * pi * abs(tauSlip) ) +dDipMax(:,1) = dDipMax(:,2) / ( 1.0_pReal - constitutive_nonlocal_nu(myInstance) ) +dDipMax0(:,2) = constitutive_nonlocal_Gmod(myInstance) * constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) & + / ( 8.0_pReal * pi * abs(subTauSlip0) ) +dDipMax0(:,1) = dDipMax0(:,2) / ( 1.0_pReal - constitutive_nonlocal_nu(myInstance) ) + +dDipMaxDot(:,1) = (dDipMax(:,1) - dDipMax0(:,1)) / subdt +dDipMaxDot(:,2) = (dDipMax(:,2) - dDipMax0(:,2)) / subdt +! if (debugger) write(6,'(a,/,2(12(e12.5,x),/))') 'dDipMax:',dDipMax +! if (debugger) write(6,'(a,/,2(12(e12.5,x),/))') 'dDipMaxDot:',dDipMaxDot + + +!*** formation by glide + +forall (c=1:2) & + rhoDotTransfer(:,c) = 2.0_pReal * dDipMax(:,c) / constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) & + * ( rho(:,2*c-1)*gdot(:,2*c) + rho(:,2*c)*gdot(:,2*c-1) ) +if (debugger) write(6,'(a,/,6(12(e12.5,x),/))') 'dipole formation by glide', & + -rhoDotTransfer*subdt,-rhoDotTransfer*subdt,2.0_pReal*rhoDotTransfer*subdt + +rhoDot(:,(/1,3/)) = rhoDot(:,(/1,3/)) - rhoDotTransfer ! subtract from positive single dislocation density of this character +rhoDot(:,(/2,4/)) = rhoDot(:,(/2,4/)) - rhoDotTransfer ! subtract from negative single dislocation density of this character +rhoDipDot = rhoDipDot + 2.0_pReal * rhoDotTransfer ! add twice to dipole dislocation density of this character + + +!*** athermal annihilation + +forall (c=1:2) & + rhoDotTransfer(:,c) = - 2.0_pReal * dDipMin(:,c) / constitutive_nonlocal_burgersPerSlipSystem(:,myInstance) & + * ( rho(:,2*c-1)*gdot(:,2*c) + rho(:,2*c)*gdot(:,2*c-1) ) +if (debugger) write(6,'(a,/,6(12(e12.5,x),/))') 'athermal dipole annihilation', & + 0.0_pReal*rhoDotTransfer,0.0_pReal*rhoDotTransfer,2.0_pReal*rhoDotTransfer*subdt + +rhoDipDot = rhoDipDot + 2.0_pReal * rhoDotTransfer ! add twice to dipole dislocation density of this character + + +!*** thermally activated annihilation + +D = constitutive_nonlocal_D0(myInstance) * exp(-constitutive_nonlocal_Qsd(myInstance) / (kB * Temperature)) + +vClimb = constitutive_nonlocal_atomicVolume(myInstance) * D / ( kB * Temperature ) & + * constitutive_nonlocal_Gmod(myInstance) / ( 2.0_pReal * pi * (1.0_pReal-constitutive_nonlocal_nu(myInstance)) ) & + * 2.0_pReal / ( dDipMax(:,1) + dDipMin(:,1) ) + +rhoDipDot(:,1) = rhoDipDot(:,1) - 4.0_pReal * rho(:,1) * vClimb / ( dDipMax(:,1) - dDipMin(:,1) ) +if (debugger) write(6,'(a,/,6(12(e12.5,x),/))') 'thermally activated dipole annihilation', & + 0.0_pReal*rhoDotTransfer, 0.0_pReal*rhoDotTransfer, - 4.0_pReal * rho(:,1) * vClimb / ( dDipMax(:,1) - dDipMin(:,1) )*subdt, & + 0.0_pReal*vClimb + + +! !*** formation by stress decrease = increase in dDipMax + +! forall (s=1:ns, dDipMaxDot(s,1) > 0.0_pReal) & + ! rhoDotTransfer(s,:) = 4.0_pReal * rho(s,(/1,3/)) * rho(s,(/2,4/)) * dDipMax0(s,:) * dDipMaxDot(s,:) + +! if (debugger) write(6,'(a,/,6(12(e12.5,x),/))') 'dipole formation by stress decrease',& + ! -rhoDotTransfer*subdt,-rhoDotTransfer*subdt,2.0_pReal*rhoDotTransfer*subdt + +! rhoDot(:,(/1,3/)) = rhoDot(:,(/1,3/)) - rhoDotTransfer ! subtract from positive single dislocation density of this character +! rhoDot(:,(/2,4/)) = rhoDot(:,(/2,4/)) - rhoDotTransfer ! subtract from negative single dislocation density of this character +! rhoDipDot = rhoDipDot + 2.0_pReal * rhoDotTransfer ! add twice to dipole dislocation density of this character + + +! !*** dipole dissociation by increased stress = decrease in dDipMax + +! forall (s=1:ns, dDipMaxDot(s,1) < 0.0_pReal) & + ! rhoDotTransfer(s,:) = 0.5_pReal * rhoDip(s,:) * dDipMaxDot(s,:) / (dDipMax0(s,:) - dDipMin(s,:)) + +! if (debugger) write(6,'(a,/,6(12(e12.5,x),/))') 'dipole formation by stress decrease',& + ! -rhoDotTransfer*subdt,-rhoDotTransfer*subdt,2.0_pReal*rhoDotTransfer*subdt + +! rhoDot(:,(/1,3/)) = rhoDot(:,(/1,3/)) - rhoDotTransfer ! subtract from positive single dislocation density of this character +! rhoDot(:,(/2,4/)) = rhoDot(:,(/2,4/)) - rhoDotTransfer ! subtract from negative single dislocation density of this character +! rhoDipDot = rhoDipDot + 2.0_pReal * rhoDotTransfer ! add twice to dipole dislocation density of this character + + +!**************************************************************************** +!*** assign the rates of dislocation densities to my dotState + +dotState(1,ip,el)%p(1:4*ns) = reshape(rhoDot,(/4*ns/)) +dotState(1,ip,el)%p(4*ns+1:6*ns) = reshape(rhoDipDot,(/2*ns/)) + +if (debugger) write(6,'(a,/,4(12(e12.5,x),/))') 'deltaRho:',rhoDot*subdt +if (debugger) write(6,'(a,/,2(12(e12.5,x),/))') 'deltaRhoDip:',rhoDipDot*subdt endsubroutine @@ -1162,6 +1395,11 @@ do o = 1,phase_Noutput(material_phase(g,ip,el)) constitutive_nonlocal_postResults(c+1:c+ns) = state(g,ip,el)%p(2*ns+1:3*ns) + state(g,ip,el)%p(3*ns+1:4*ns) c = c + ns + case ('excess_rho') + constitutive_nonlocal_postResults(c+1:c+ns) = state(g,ip,el)%p(1:ns) - state(g,ip,el)%p(ns+1:2*ns) & + + state(g,ip,el)%p(2*ns+1:3*ns) - state(g,ip,el)%p(3*ns+1:4*ns) + c = c + ns + case ('excess_rho_edge') constitutive_nonlocal_postResults(c+1:c+ns) = state(g,ip,el)%p(1:ns) - state(g,ip,el)%p(ns+1:2*ns) c = c + ns @@ -1171,17 +1409,29 @@ do o = 1,phase_Noutput(material_phase(g,ip,el)) c = c + ns case ('rho_forest') + constitutive_nonlocal_postResults(c+1:c+ns) = state(g,ip,el)%p(6*ns+1:7*ns) + c = c + ns + + case ('rho_dip') + constitutive_nonlocal_postResults(c+1:c+ns) = state(g,ip,el)%p(4*ns+1:5*ns) + state(g,ip,el)%p(5*ns+1:6*ns) + c = c + ns + + case ('rho_edge_dip') constitutive_nonlocal_postResults(c+1:c+ns) = state(g,ip,el)%p(4*ns+1:5*ns) c = c + ns + case ('rho_screw_dip') + constitutive_nonlocal_postResults(c+1:c+ns) = state(g,ip,el)%p(5*ns+1:6*ns) + c = c + ns + case ('shearrate') do s = 1,ns sLattice = constitutive_nonlocal_slipSystemLattice(s,myInstance) - tau = math_mul6x6( Tstar_v + state(g,ip,el)%p(6*ns+1:6*ns+6), lattice_Sslip_v(:,sLattice,myStructure) ) + tau = math_mul6x6( Tstar_v + state(g,ip,el)%p(8*ns+1:8*ns+6), lattice_Sslip_v(:,sLattice,myStructure) ) if (state(g,ip,el)%p(4*ns+s) > 0.0_pReal) then - v = constitutive_nonlocal_v0BySlipSystem(s,myInstance) & - * exp( - ( state(g,ip,el)%p(5*ns+s) - abs(tau) ) * constitutive_nonlocal_burgersBySlipSystem(s,myInstance)**2.0_pReal & + v = constitutive_nonlocal_v0PerSlipSystem(s,myInstance) & + * exp( - ( state(g,ip,el)%p(7*ns+s) - abs(tau) ) * constitutive_nonlocal_burgersPerSlipSystem(s,myInstance)**2.0_pReal & / ( kB * Temperature * sqrt(state(g,ip,el)%p(4*ns+s)) ) ) & * sign(1.0_pReal,tau) else @@ -1190,25 +1440,24 @@ do o = 1,phase_Noutput(material_phase(g,ip,el)) constitutive_nonlocal_postResults(c+s) = ( state(g,ip,el)%p(s) + state(g,ip,el)%p(ns+s) & + state(g,ip,el)%p(2*ns+s) + state(g,ip,el)%p(3*ns+s) ) & - * constitutive_nonlocal_burgersBySlipSystem(s,myInstance) * v + * constitutive_nonlocal_burgersPerSlipSystem(s,myInstance) * v enddo c = c + ns case ('resolvedstress') do s = 1,ns sLattice = constitutive_nonlocal_slipSystemLattice(s,myInstance) - constitutive_nonlocal_postResults(c+s) = math_mul6x6( Tstar_v + state(g,ip,el)%p(6*ns+1:6*ns+6), & + constitutive_nonlocal_postResults(c+s) = math_mul6x6( Tstar_v + state(g,ip,el)%p(8*ns+1:8*ns+6), & lattice_Sslip_v(:,sLattice,myStructure) ) enddo c = c + ns case ('resistance') - constitutive_nonlocal_postResults(c+1:c+ns) = state(g,ip,el)%p(5*ns+1:6*ns) + constitutive_nonlocal_postResults(c+1:c+ns) = state(g,ip,el)%p(7*ns+1:8*ns) c = c + ns end select enddo endfunction - -END MODULE \ No newline at end of file +END MODULE diff --git a/code/crystallite.f90 b/code/crystallite.f90 index 0216332e1..3d3746abb 100644 --- a/code/crystallite.f90 +++ b/code/crystallite.f90 @@ -57,7 +57,7 @@ logical, dimension (:,:,:), allocatable :: crystallite_localConstit crystallite_converged, & ! convergence flag crystallite_stateConverged, & ! flag indicating convergence of state crystallite_temperatureConverged, & ! flag indicating convergence of temperature - crystallite_nonfinished ! requested and ontrack but not converged + crystallite_todo ! requested and ontrack but not converged CONTAINS @@ -138,7 +138,7 @@ subroutine crystallite_init(Temperature) allocate(crystallite_converged(gMax,iMax,eMax)); crystallite_converged = .true. allocate(crystallite_stateConverged(gMax,iMax,eMax)); crystallite_stateConverged = .false. allocate(crystallite_temperatureConverged(gMax,iMax,eMax)); crystallite_temperatureConverged = .false. - allocate(crystallite_nonfinished(gMax,iMax,eMax)); crystallite_nonfinished = .true. + allocate(crystallite_todo(gMax,iMax,eMax)); crystallite_todo = .true. !$OMP PARALLEL DO do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over all cp elements @@ -202,7 +202,7 @@ subroutine crystallite_init(Temperature) write(6,'(a35,x,7(i5,x))') 'crystallite_converged: ', shape(crystallite_converged) write(6,'(a35,x,7(i5,x))') 'crystallite_stateConverged: ', shape(crystallite_stateConverged) write(6,'(a35,x,7(i5,x))') 'crystallite_temperatureConverged: ', shape(crystallite_temperatureConverged) - write(6,'(a35,x,7(i5,x))') 'crystallite_nonfinished: ', shape(crystallite_nonfinished) + write(6,'(a35,x,7(i5,x))') 'crystallite_todo: ', shape(crystallite_todo) write(6,*) write(6,*) 'Number of nonlocal grains: ',count(.not. crystallite_localConstitution) call flush(6) @@ -349,7 +349,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco) myNgrains = homogenization_Ngrains(mesh_element(3,e)) do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed do g = 1,myNgrains - debugger = .false. !(e == 1 .and. i == 1 .and. g == 1) + debugger = (e == 1 .and. i == 1 .and. g == 1) if (crystallite_converged(g,i,e)) then if (debugger) then !$OMP CRITICAL (write2out) @@ -404,7 +404,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco) enddo !$OMPEND PARALLEL DO - crystallite_nonfinished = ( crystallite_requested & + crystallite_todo = ( crystallite_requested & .and. crystallite_onTrack & .and. .not. crystallite_converged) @@ -421,7 +421,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco) myNgrains = homogenization_Ngrains(mesh_element(3,e)) do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed do g = 1,myNgrains - if (crystallite_nonfinished(g,i,e)) & ! all undone crystallites + if (crystallite_todo(g,i,e)) & ! all undone crystallites constitutive_dotState(g,i,e)%p = 0.0_pReal ! zero out dotState enddo; enddo; enddo !$OMPEND PARALLEL DO @@ -430,9 +430,11 @@ subroutine crystallite_stressAndItsTangent(updateJaco) myNgrains = homogenization_Ngrains(mesh_element(3,e)) do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed do g = 1,myNgrains - if (crystallite_nonfinished(g,i,e)) & ! all undone crystallites - call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_Fp(:,:,g,i,e), & - crystallite_invFp(:,:,g,i,e), crystallite_Temperature(g,i,e), g, i, e) + debugger = (e == 1 .and. i == 1 .and. g == 1) + if (crystallite_todo(g,i,e)) & ! all undone crystallites + call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), & + crystallite_Fp(:,:,g,i,e), crystallite_invFp(:,:,g,i,e), & + crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), g, i, e) enddo; enddo; enddo !$OMPEND PARALLEL DO !$OMP PARALLEL DO @@ -440,19 +442,21 @@ subroutine crystallite_stressAndItsTangent(updateJaco) myNgrains = homogenization_Ngrains(mesh_element(3,e)) do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed do g = 1,myNgrains - if (crystallite_nonfinished(g,i,e)) then ! all undone crystallites + debugger = (e == 1 .and. i == 1 .and. g == 1) + if (crystallite_todo(g,i,e)) then ! all undone crystallites crystallite_stateConverged(g,i,e) = crystallite_updateState(g,i,e) ! update state crystallite_temperatureConverged(g,i,e) = crystallite_updateTemperature(g,i,e) ! update temperature crystallite_converged(g,i,e) = .false. ! force at least one iteration step even if state already converged endif enddo; enddo; enddo !$OMPEND PARALLEL DO + write(6,*) count(.not. crystallite_onTrack(1,:,:)),'IPs not onTrack after preguess for state' ! --+>> state loop <<+-- NiterationState = 0_pInt - do while ( any(crystallite_nonfinished(:,:,FEsolving_execELem(1):FEsolving_execElem(2))) & + do while ( any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2))) & .and. NiterationState < nState) ! convergence loop for crystallite NiterationState = NiterationState + 1_pInt @@ -470,14 +474,18 @@ subroutine crystallite_stressAndItsTangent(updateJaco) do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed do g = 1,myNgrains debugger = (e == 1 .and. i == 1 .and. g == 1) - if (crystallite_nonfinished(g,i,e)) & ! all undone crystallites + if (crystallite_todo(g,i,e)) & ! all undone crystallites crystallite_onTrack(g,i,e) = crystallite_integrateStress(g,i,e) enddo enddo enddo !$OMPEND PARALLEL DO - crystallite_nonfinished = crystallite_nonfinished .and. crystallite_onTrack + write(6,*) count(.not. crystallite_onTrack(1,:,:)),'IPs not onTrack after stress integration' + + crystallite_todo = crystallite_todo .and. crystallite_onTrack + if (any(.not. crystallite_onTrack .and. .not. crystallite_localConstitution)) & + crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! all nonlocal crystallites can be skipped ! --+>> state integration <<+-- ! @@ -492,7 +500,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco) myNgrains = homogenization_Ngrains(mesh_element(3,e)) do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed do g = 1,myNgrains - if (crystallite_nonfinished(g,i,e)) & ! all undone crystallites + if (crystallite_todo(g,i,e)) & ! all undone crystallites constitutive_dotState(g,i,e)%p = 0.0_pReal ! zero out dotState enddo; enddo; enddo !$OMPEND PARALLEL DO @@ -501,9 +509,11 @@ subroutine crystallite_stressAndItsTangent(updateJaco) myNgrains = homogenization_Ngrains(mesh_element(3,e)) do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed do g = 1,myNgrains - if (crystallite_nonfinished(g,i,e)) & ! all undone crystallites - call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_Fp(:,:,g,i,e), & - crystallite_invFp(:,:,g,i,e), crystallite_Temperature(g,i,e), g, i, e) + debugger = (e == 1 .and. i == 1 .and. g == 1) + if (crystallite_todo(g,i,e)) & ! all undone crystallites + call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), & + crystallite_Fp(:,:,g,i,e), crystallite_invFp(:,:,g,i,e), & + crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), g, i, e) enddo; enddo; enddo !$OMPEND PARALLEL DO !$OMP PARALLEL DO @@ -511,7 +521,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco) myNgrains = homogenization_Ngrains(mesh_element(3,e)) do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed do g = 1,myNgrains - if (crystallite_nonfinished(g,i,e)) then ! all undone crystallites + debugger = (e == 1 .and. i == 1 .and. g == 1) + if (crystallite_todo(g,i,e)) then ! all undone crystallites crystallite_stateConverged(g,i,e) = crystallite_updateState(g,i,e) ! update state crystallite_temperatureConverged(g,i,e) = crystallite_updateTemperature(g,i,e) ! update temperature crystallite_converged(g,i,e) = crystallite_stateConverged(g,i,e) .and. crystallite_temperatureConverged(g,i,e) @@ -526,9 +537,14 @@ subroutine crystallite_stressAndItsTangent(updateJaco) enddo enddo !$OMPEND PARALLEL DO + + crystallite_todo = crystallite_todo .and. crystallite_onTrack .and. .not. crystallite_converged + if (any(.not. crystallite_onTrack .and. .not. crystallite_localConstitution)) & + crystallite_todo = crystallite_todo .and. crystallite_localConstitution ! all nonlocal crystallites can be skipped -! write(6,*) 'NiterationState: ',NiterationState - crystallite_nonfinished = crystallite_nonfinished .and. crystallite_onTrack .and. .not. crystallite_converged + write(6,*) count(.not. crystallite_onTrack(1,:,:)),'IPs not onTrack after state update' + write(6,*) count(crystallite_converged(1,:,:)),'IPs converged' + write(6,*) count(crystallite_todo(1,:,:)),'IPs todo' enddo ! crystallite convergence loop @@ -536,8 +552,8 @@ subroutine crystallite_stressAndItsTangent(updateJaco) enddo ! cutback loop - ! write (6,'(a,/,8(L,x))') 'crystallite_nonfinished',crystallite_nonfinished - ! write (6,'(a,/,8(L,x))') 'crystallite_converged',crystallite_converged + ! write (6,'(a,/,32(L,x))') 'crystallite_todo',crystallite_todo + ! write (6,'(a,/,32(L,x))') 'crystallite_converged',crystallite_converged ! ------ check for non-converged crystallites ------ @@ -614,8 +630,9 @@ subroutine crystallite_stressAndItsTangent(updateJaco) NiterationState = NiterationState + 1_pInt onTrack = crystallite_integrateStress(g,i,e) ! stress of perturbed situation (overwrites _P,_Tstar_v,_Fp,_Lp,_Fe) if (onTrack) then - call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_Fp(:,:,g,i,e), & - crystallite_invFp(:,:,g,i,e), crystallite_Temperature(g,i,e), g, i, e) + call constitutive_collectDotState(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), & + crystallite_Fp(:,:,g,i,e), crystallite_invFp(:,:,g,i,e), & + crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), g, i, e) stateConverged = crystallite_updateState(g,i,e) ! update state temperatureConverged = crystallite_updateTemperature(g,i,e) ! update temperature @@ -682,7 +699,8 @@ endsubroutine use constitutive, only: constitutive_dotState, & constitutive_sizeDotState, & constitutive_subState0, & - constitutive_state + constitutive_state, & + constitutive_microstructure use debug, only: debugger, & debug_cumDotStateCalls, & debug_cumDotStateTicks @@ -718,7 +736,6 @@ endsubroutine if (any(residuum/=residuum)) then crystallite_updateState = .false. ! indicate state update failed crystallite_onTrack(g,i,e) = .false. ! no need to calculate any further - crystallite_onTrack = crystallite_onTrack .and. crystallite_localConstitution ! all nonlocal crystallites have to be redone if (debugger) then !$OMP CRITICAL (write2out) write(6,*) '::: updateState encountered NaN',g,i,e @@ -729,22 +746,23 @@ endsubroutine ! update the microstructure constitutive_state(g,i,e)%p(1:mySize) = constitutive_state(g,i,e)%p(1:mySize) - residuum + call constitutive_microstructure(crystallite_subTemperature0(g,i,e), crystallite_subFp0, g, i, e) - ! setting flag to true if state is below relative tolerance, otherwise set it to false <<>> - crystallite_updateState = all(constitutive_state(g,i,e)%p(1:mySize) == 0.0_pReal .or. & - abs(residuum) < rTol_crystalliteState*abs(constitutive_state(g,i,e)%p(1:mySize))) + + ! setting flag to true if state is below relative tolerance, otherwise set it to false + crystallite_updateState = all( constitutive_state(g,i,e)%p(1:mySize) == 0.0_pReal & + .or. abs(residuum) < rTol_crystalliteState*abs(constitutive_state(g,i,e)%p(1:mySize))) if (debugger) then !$OMP CRITICAL (write2out) if (crystallite_updateState) then write(6,*) '::: updateState converged',g,i,e - write(6,*) - write(6,'(a10,/,12(e12.3,x))') 'new state ',constitutive_state(g,i,e)%p(1:mySize) - write(6,*) else write(6,*) '::: updateState did not converge',g,i,e - write(6,*) endif - write(6,'(a,/,12(f10.5,x))') 'resid tolerance',abs(residuum/rTol_crystalliteState/constitutive_state(g,i,e)%p(1:mySize)) + write(6,*) + write(6,'(a10,/,12(e12.5,x))') 'new state ',constitutive_state(g,i,e)%p(1:mySize) + write(6,*) + write(6,'(a,/,12(f12.5,x))') 'resid tolerance',abs(residuum/rTol_crystalliteState/constitutive_state(g,i,e)%p(1:mySize)) write(6,*) !$OMPEND CRITICAL (write2out) endif @@ -843,8 +861,7 @@ endsubroutine debug_cumLpCalls, & debug_cumLpTicks, & debug_StressLoopDistribution - use constitutive, only: constitutive_microstructure, & - constitutive_homogenizedC, & + use constitutive, only: constitutive_homogenizedC, & constitutive_LpAndItsTangent use math, only: math_mul33x33, & math_mul66x6, & @@ -921,6 +938,7 @@ endsubroutine Tstar_v = crystallite_Tstar_v(:,g,i,e) Lpguess_old = crystallite_Lp(:,:,g,i,e) ! consider present Lp good (i.e. worth remembering) ... Lpguess = crystallite_Lp(:,:,g,i,e) ! ... and take it as first guess + ! inversion of Fp_current... invFp_current = math_inv3x3(Fp_current) @@ -937,9 +955,6 @@ endsubroutine A = math_mul33x33(transpose(invFp_current), math_mul33x33(transpose(Fg_new),math_mul33x33(Fg_new,invFp_current))) - ! update microstructure - call constitutive_microstructure(crystallite_subTemperature0(g,i,e), crystallite_subFp0, g, i, e) - ! get elasticity tensor C_66 = constitutive_homogenizedC(g,i,e) ! if (debugger) write(6,'(a,/,6(6(f10.4,x)/))') 'elasticity',C_66(1:6,:)/1e9 @@ -1033,6 +1048,7 @@ LpLoop: do write(6,*) write(6,'(a9,3(i3,x),/,9(9(f12.7,x)/))') 'dRdLp at ',g,i,e,dRdLp write(6,'(a20,3(i3,x),/,9(9(e12.2,x)/))') 'dLp_constitutive at ',g,i,e,dLp_constitutive + write(6,'(a19,3(i3,x),/,3(3(f12.7,x)/))') 'Lp_constitutive at ',g,i,e,Lp_constitutive write(6,'(a11,3(i3,x),/,3(3(f12.7,x)/))') 'Lpguess at ',g,i,e,Lpguess !$OMPEND CRITICAL (write2out) endif diff --git a/code/material.config b/code/material.config index 393fe3741..cce7ec698 100644 --- a/code/material.config +++ b/code/material.config @@ -92,7 +92,15 @@ interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 constitution nonlocal /nonlocal/ -(output) dislocation_density +(output) rho +(output) rho_edge +(output) rho_screw +(output) excess_rho_edge +(output) excess_rho_screw +(output) rho_forest +(output) shearrate +(output) resolvedstress +(output) resistance lattice_structure fcc Nslip 12 0 0 0 # per family @@ -101,13 +109,21 @@ c11 106.75e9 c12 60.41e9 c44 28.34e9 -burgers 2.56e-10 0 0 0 # Burgers vector in m -rhoEdgePos0 2.5e12 0 0 0 # Initial positive edge dislocation density in m/m**3 -rhoEdgeNeg0 2.5e12 0 0 0 # Initial negative edge dislocation density in m/m**3 -rhoScrewPos0 2.5e12 0 0 0 # Initial positive screw dislocation density in m/m**3 -rhoScrewNeg0 2.5e12 0 0 0 # Initial negative screw dislocation density in m/m**3 -v0 100 0 0 0 # initial dislocation velocity -interaction_SlipSlip 1.0 2.2 3.0 1.6 3.8 4.5 # Dislocation interaction coefficients +burgers 2.86e-10 0 0 0 # Burgers vector in m +rhoEdgePos0 1.0e10 0 0 0 # Initial positive edge dislocation density in m/m**3 +rhoEdgeNeg0 1.0e10 0 0 0 # Initial negative edge dislocation density in m/m**3 +rhoScrewPos0 1.0e10 0 0 0 # Initial positive screw dislocation density in m/m**3 +rhoScrewNeg0 1.0e10 0 0 0 # Initial negative screw dislocation density in m/m**3 +rhoEdgeDip0 0 0 0 0 # Initial edge dipole dislocation density in m/m**3 +rhoScrewDip0 0 0 0 0 # Initial screw dipole dislocation density in m/m**3 +v0 1e-4 0 0 0 # prefactor for dislocation velocity +dDipMinEdge 1e-9 0 0 0 # minimum distance for stable edge dipoles in m +dDipMinScrew 1e-9 0 0 0 # minimum distance for stable screw dipoles in m +atomicVolume 1.7e-29 +D0 1e-4 +Qsd 2.3e-19 +lambda0 100 0 0 0 # prefactor for mean free path +interaction_SlipSlip 1.0 2.2 3.0 1.6 3.8 4.5 # Dislocation interaction coefficient #####################