diff --git a/DAMASK_prerequisites.sh b/DAMASK_prerequisites.sh index 9c850aa4d..4877d4b22 100755 --- a/DAMASK_prerequisites.sh +++ b/DAMASK_prerequisites.sh @@ -68,6 +68,7 @@ echo PYTHONPATH: $PYTHONPATH echo SHELL: $SHELL echo PETSC_ARCH: $PETSC_ARCH echo PETSC_DIR: $PETSC_DIR +ls $PETSC_DIR/lib echo echo ============================================================================================== echo Python diff --git a/PRIVATE b/PRIVATE index 7c69abfc5..b7d1d3091 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit 7c69abfc5bf54c083b9096511abde7d74b806b7f +Subproject commit b7d1d309146e017caa5744333c2e4a4532a6fc20 diff --git a/VERSION b/VERSION index 35415784e..6ac87b4cc 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.1-1115-gb429068 +v2.0.1-1183-g991c917 diff --git a/examples/ConfigFiles/numerics.config b/examples/ConfigFiles/numerics.config index ab8903927..3a654513e 100644 --- a/examples/ConfigFiles/numerics.config +++ b/examples/ConfigFiles/numerics.config @@ -67,7 +67,7 @@ maxCutBack 3 # maximum cut back level (0: 1, 1: 0.5, 2 memory_efficient 1 # Precalculate Gamma-operator (81 double per point) update_gamma 0 # Update Gamma-operator with current dPdF (not possible if memory_efficient=1) divergence_correction 2 # Use size-independent divergence criterion -spectralsolver basicPETSc # Type of spectral solver (basicPETSc: basic with PETSc, AL: augmented Lagrange) +spectralsolver basicPETSc # Type of spectral solver (basicPETSc/polarisation) spectralfilter none # Type of filtering method to mitigate Gibb's phenomenon (none, cosine, ...) petsc_options -snes_type ngmres -snes_ngmres_anderson # PetSc solver options regridMode 0 # 0: no regrid; 1: regrid if DAMASK doesn't converge; 2: regrid if DAMASK or BVP Solver doesn't converge diff --git a/lib/damask/util.py b/lib/damask/util.py old mode 100755 new mode 100644 diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index eade66e17..9789ec67d 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -74,6 +74,7 @@ add_library (PLASTIC OBJECT "plastic_disloUCLA.f90" "plastic_isotropic.f90" "plastic_phenopowerlaw.f90" + "plastic_kinematichardening.f90" "plastic_nonlocal.f90" "plastic_none.f90") add_dependencies(PLASTIC DAMASK_HELPERS) @@ -165,7 +166,6 @@ if ("${PROJECT_NAME}" STREQUAL "DAMASK_spectral") add_library(SPECTRAL_SOLVER OBJECT "spectral_thermal.f90" "spectral_damage.f90" - "spectral_mech_AL.f90" "spectral_mech_Polarisation.f90" "spectral_mech_Basic.f90") add_dependencies(SPECTRAL_SOLVER SPECTRAL_UTILITIES) diff --git a/src/CPFEM.f90 b/src/CPFEM.f90 index 44e7e5693..66aa11433 100644 --- a/src/CPFEM.f90 +++ b/src/CPFEM.f90 @@ -162,6 +162,7 @@ subroutine CPFEM_init write(6,'(/,a)') ' <<<+- CPFEM init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" + flush(6) endif mainProcess ! initialize stress and jacobian to zero @@ -242,8 +243,8 @@ subroutine CPFEM_init write(6,'(a32,1x,6(i8,1x))') 'CPFEM_dcsdE: ', shape(CPFEM_dcsdE) write(6,'(a32,1x,6(i8,1x),/)') 'CPFEM_dcsdE_knownGood: ', shape(CPFEM_dcsdE_knownGood) write(6,'(a32,l1)') 'symmetricSolver: ', symmetricSolver + flush(6) endif - flush(6) end subroutine CPFEM_init diff --git a/src/DAMASK_abaqus_exp.f b/src/DAMASK_abaqus_exp.f index 1fab2472d..cfd02cbed 100644 --- a/src/DAMASK_abaqus_exp.f +++ b/src/DAMASK_abaqus_exp.f @@ -37,6 +37,7 @@ subroutine DAMASK_interface_init dateAndTime ! type default integer call date_and_time(values = dateAndTime) write(6,'(/,a)') ' <<<+- DAMASK_abaqus_exp -+>>>' + write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018' write(6,'(/,a)') ' Version: '//DAMASKVERSION write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',& dateAndTime(2),'/',& diff --git a/src/DAMASK_abaqus_std.f b/src/DAMASK_abaqus_std.f index d15682c58..e91cbb0bb 100644 --- a/src/DAMASK_abaqus_std.f +++ b/src/DAMASK_abaqus_std.f @@ -37,6 +37,7 @@ subroutine DAMASK_interface_init dateAndTime ! type default integer call date_and_time(values = dateAndTime) write(6,'(/,a)') ' <<<+- DAMASK_abaqus_std -+>>>' + write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018' write(6,'(/,a)') ' Version: '//DAMASKVERSION write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',& dateAndTime(2),'/',& diff --git a/src/DAMASK_marc.f90 b/src/DAMASK_marc.f90 index 27640e5f2..81465350c 100644 --- a/src/DAMASK_marc.f90 +++ b/src/DAMASK_marc.f90 @@ -54,6 +54,7 @@ subroutine DAMASK_interface_init call date_and_time(values = dateAndTime) write(6,'(/,a)') ' <<<+- DAMASK_Marc -+>>>' + write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018' write(6,'(/,a)') ' Version: '//DAMASKVERSION write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',& dateAndTime(2),'/',& diff --git a/src/DAMASK_spectral.f90 b/src/DAMASK_spectral.f90 index 068aebbc6..c5bf70397 100644 --- a/src/DAMASK_spectral.f90 +++ b/src/DAMASK_spectral.f90 @@ -80,7 +80,6 @@ program DAMASK_spectral FIELD_THERMAL_ID, & FIELD_DAMAGE_ID use spectral_mech_Basic - use spectral_mech_AL use spectral_mech_Polarisation use spectral_damage use spectral_thermal @@ -161,6 +160,7 @@ program DAMASK_spectral ! init DAMASK (all modules) call CPFEM_initAll(el = 1_pInt, ip = 1_pInt) write(6,'(/,a)') ' <<<+- DAMASK_spectral init -+>>>' + write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" @@ -366,11 +366,7 @@ program DAMASK_spectral select case (spectral_solver) case (DAMASK_spectral_SolverBasicPETSc_label) call basicPETSc_init - case (DAMASK_spectral_SolverAL_label) - if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) & - call IO_warning(42_pInt, ext_msg='debug Divergence') - call AL_init - + case (DAMASK_spectral_SolverPolarisation_label) if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) & call IO_warning(42_pInt, ext_msg='debug Divergence') @@ -533,12 +529,7 @@ program DAMASK_spectral deformation_BC = loadCases(currentLoadCase)%deformation, & stress_BC = loadCases(currentLoadCase)%stress, & rotation_BC = loadCases(currentLoadCase)%rotation) - case (DAMASK_spectral_SolverAL_label) - call AL_forward (& - guess,timeinc,timeIncOld,remainingLoadCaseTime, & - deformation_BC = loadCases(currentLoadCase)%deformation, & - stress_BC = loadCases(currentLoadCase)%stress, & - rotation_BC = loadCases(currentLoadCase)%rotation) + case (DAMASK_spectral_SolverPolarisation_label) call Polarisation_forward (& guess,timeinc,timeIncOld,remainingLoadCaseTime, & @@ -567,12 +558,6 @@ program DAMASK_spectral stress_BC = loadCases(currentLoadCase)%stress, & rotation_BC = loadCases(currentLoadCase)%rotation) - case (DAMASK_spectral_SolverAL_label) - solres(field) = AL_solution (& - incInfo,timeinc,timeIncOld, & - stress_BC = loadCases(currentLoadCase)%stress, & - rotation_BC = loadCases(currentLoadCase)%rotation) - case (DAMASK_spectral_SolverPolarisation_label) solres(field) = Polarisation_solution (& incInfo,timeinc,timeIncOld, & @@ -701,8 +686,6 @@ subroutine quit(stop_id) pInt use spectral_mech_Basic, only: & BasicPETSC_destroy - use spectral_mech_AL, only: & - AL_destroy use spectral_mech_Polarisation, only: & Polarisation_destroy use spectral_damage, only: & @@ -726,7 +709,6 @@ subroutine quit(stop_id) MPI_finalize call BasicPETSC_destroy() - call AL_destroy() call Polarisation_destroy() call spectral_damage_destroy() call spectral_thermal_destroy() diff --git a/src/IO.f90 b/src/IO.f90 index 9e8033f73..7291f36ad 100644 --- a/src/IO.f90 +++ b/src/IO.f90 @@ -560,6 +560,9 @@ function IO_hybridIA(Nast,ODFfileName) IO_hybridIA = 0.0_pReal ! initialize return value for case of error write(6,'(/,a,/)',advance='no') ' Using linear ODF file: '//trim(ODFfileName) + write(6,'(/,a)') 'Eisenlohr et al., Computational Materials Science, 42(4):670–678, 2008' + write(6,'(/,a)') 'https://doi.org/10.1016/j.commatsci.2007.09.015' + !-------------------------------------------------------------------------------------------------- ! parse header of ODF file diff --git a/src/commercialFEM_fileList.f90 b/src/commercialFEM_fileList.f90 index 51848ece5..f57f03467 100644 --- a/src/commercialFEM_fileList.f90 +++ b/src/commercialFEM_fileList.f90 @@ -28,6 +28,7 @@ #include "plastic_none.f90" #include "plastic_isotropic.f90" #include "plastic_phenopowerlaw.f90" +#include "plastic_kinematichardening.f90" #include "plastic_dislotwin.f90" #include "plastic_disloUCLA.f90" #include "plastic_nonlocal.f90" diff --git a/src/constitutive.f90 b/src/constitutive.f90 index 8efd387e0..a62245f99 100644 --- a/src/constitutive.f90 +++ b/src/constitutive.f90 @@ -74,6 +74,7 @@ subroutine constitutive_init() PLASTICITY_none_ID, & PLASTICITY_isotropic_ID, & PLASTICITY_phenopowerlaw_ID, & + PLASTICITY_kinehardening_ID, & PLASTICITY_dislotwin_ID, & PLASTICITY_disloucla_ID, & PLASTICITY_nonlocal_ID ,& @@ -95,6 +96,7 @@ subroutine constitutive_init() PLASTICITY_NONE_label, & PLASTICITY_ISOTROPIC_label, & PLASTICITY_PHENOPOWERLAW_label, & + PLASTICITY_KINEHARDENING_label, & PLASTICITY_DISLOTWIN_label, & PLASTICITY_DISLOUCLA_label, & PLASTICITY_NONLOCAL_label, & @@ -113,6 +115,7 @@ subroutine constitutive_init() use plastic_none use plastic_isotropic use plastic_phenopowerlaw + use plastic_kinehardening use plastic_dislotwin use plastic_disloucla use plastic_nonlocal @@ -156,6 +159,7 @@ subroutine constitutive_init() if (any(phase_plasticity == PLASTICITY_NONE_ID)) call plastic_none_init if (any(phase_plasticity == PLASTICITY_ISOTROPIC_ID)) call plastic_isotropic_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID)) call plastic_phenopowerlaw_init(FILEUNIT) + if (any(phase_plasticity == PLASTICITY_KINEHARDENING_ID)) call plastic_kinehardening_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_DISLOTWIN_ID)) call plastic_dislotwin_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_DISLOUCLA_ID)) call plastic_disloucla_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_NONLOCAL_ID)) then @@ -214,6 +218,11 @@ subroutine constitutive_init() thisNoutput => plastic_phenopowerlaw_Noutput thisOutput => plastic_phenopowerlaw_output thisSize => plastic_phenopowerlaw_sizePostResult + case (PLASTICITY_KINEHARDENING_ID) plasticityType + outputName = PLASTICITY_KINEHARDENING_label + thisNoutput => plastic_kinehardening_Noutput + thisOutput => plastic_kinehardening_output + thisSize => plastic_kinehardening_sizePostResult case (PLASTICITY_DISLOTWIN_ID) plasticityType outputName = PLASTICITY_DISLOTWIN_label thisNoutput => plastic_dislotwin_Noutput @@ -472,6 +481,7 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar3333, dLp_dFi3333, Tstar_v PLASTICITY_NONE_ID, & PLASTICITY_ISOTROPIC_ID, & PLASTICITY_PHENOPOWERLAW_ID, & + PLASTICITY_KINEHARDENING_ID, & PLASTICITY_DISLOTWIN_ID, & PLASTICITY_DISLOUCLA_ID, & PLASTICITY_NONLOCAL_ID @@ -479,6 +489,8 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar3333, dLp_dFi3333, Tstar_v plastic_isotropic_LpAndItsTangent use plastic_phenopowerlaw, only: & plastic_phenopowerlaw_LpAndItsTangent + use plastic_kinehardening, only: & + plastic_kinehardening_LpAndItsTangent use plastic_dislotwin, only: & plastic_dislotwin_LpAndItsTangent use plastic_disloucla, only: & @@ -522,18 +534,20 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar3333, dLp_dFi3333, Tstar_v Lp = 0.0_pReal dLp_dMstar = 0.0_pReal case (PLASTICITY_ISOTROPIC_ID) plasticityType - call plastic_isotropic_LpAndItsTangent(Lp,dLp_dMstar,Mstar_v,ipc,ip,el) + call plastic_isotropic_LpAndItsTangent (Lp,dLp_dMstar,Mstar_v,ipc,ip,el) case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType - call plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMstar,Mstar_v,ipc,ip,el) + call plastic_phenopowerlaw_LpAndItsTangent (Lp,dLp_dMstar,Mstar_v,ipc,ip,el) + case (PLASTICITY_KINEHARDENING_ID) plasticityType + call plastic_kinehardening_LpAndItsTangent (Lp,dLp_dMstar,Mstar_v,ipc,ip,el) case (PLASTICITY_NONLOCAL_ID) plasticityType - call plastic_nonlocal_LpAndItsTangent(Lp,dLp_dMstar,Mstar_v, & - temperature(ho)%p(tme),ip,el) + call plastic_nonlocal_LpAndItsTangent (Lp,dLp_dMstar,Mstar_v, & + temperature(ho)%p(tme),ip,el) case (PLASTICITY_DISLOTWIN_ID) plasticityType - call plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMstar,Mstar_v, & - temperature(ho)%p(tme),ipc,ip,el) + call plastic_dislotwin_LpAndItsTangent (Lp,dLp_dMstar,Mstar_v, & + temperature(ho)%p(tme),ipc,ip,el) case (PLASTICITY_DISLOUCLA_ID) plasticityType - call plastic_disloucla_LpAndItsTangent(Lp,dLp_dMstar,Mstar_v, & - temperature(ho)%p(tme), ipc,ip,el) + call plastic_disloucla_LpAndItsTangent (Lp,dLp_dMstar,Mstar_v, & + temperature(ho)%p(tme), ipc,ip,el) end select plasticityType dLp_dTstar3333 = math_Plain99to3333(dLp_dMstar) @@ -717,7 +731,7 @@ end function constitutive_initialFi !-------------------------------------------------------------------------------------------------- !> @brief returns the 2nd Piola-Kirchhoff stress tensor and its tangent with respect to !> the elastic deformation gradient depending on the selected elastic law (so far no case switch -!! because only hooke is implemented +!! because only Hooke is implemented !-------------------------------------------------------------------------------------------------- subroutine constitutive_TandItsTangent(T, dT_dFe, dT_dFi, Fe, Fi, ipc, ip, el) use prec, only: & @@ -844,6 +858,7 @@ subroutine constitutive_collectDotState(Tstar_v, FeArray, FpArray, subdt, subfra PLASTICITY_none_ID, & PLASTICITY_isotropic_ID, & PLASTICITY_phenopowerlaw_ID, & + PLASTICITY_kinehardening_ID, & PLASTICITY_dislotwin_ID, & PLASTICITY_disloucla_ID, & PLASTICITY_nonlocal_ID, & @@ -855,6 +870,8 @@ subroutine constitutive_collectDotState(Tstar_v, FeArray, FpArray, subdt, subfra plastic_isotropic_dotState use plastic_phenopowerlaw, only: & plastic_phenopowerlaw_dotState + use plastic_kinehardening, only: & + plastic_kinehardening_dotState use plastic_dislotwin, only: & plastic_dislotwin_dotState use plastic_disloucla, only: & @@ -905,6 +922,8 @@ subroutine constitutive_collectDotState(Tstar_v, FeArray, FpArray, subdt, subfra call plastic_isotropic_dotState (Tstar_v,ipc,ip,el) case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType call plastic_phenopowerlaw_dotState(Tstar_v,ipc,ip,el) + case (PLASTICITY_KINEHARDENING_ID) plasticityType + call plastic_kinehardening_dotState(Tstar_v,ipc,ip,el) case (PLASTICITY_DISLOTWIN_ID) plasticityType call plastic_dislotwin_dotState (Tstar_v,temperature(ho)%p(tme), & ipc,ip,el) @@ -959,10 +978,13 @@ subroutine constitutive_collectDeltaState(Tstar_v, Fe, ipc, ip, el) phase_source, & phase_Nsources, & material_phase, & + PLASTICITY_KINEHARDENING_ID, & PLASTICITY_NONLOCAL_ID, & SOURCE_damage_isoBrittle_ID, & SOURCE_vacancy_irradiation_ID, & SOURCE_vacancy_thermalfluc_ID + use plastic_kinehardening, only: & + plastic_kinehardening_deltaState use plastic_nonlocal, only: & plastic_nonlocal_deltaState use source_damage_isoBrittle, only: & @@ -991,15 +1013,18 @@ subroutine constitutive_collectDeltaState(Tstar_v, Fe, ipc, ip, el) if (iand(debug_level(debug_constitutive), debug_levelBasic) /= 0_pInt) & call system_clock(count=tick,count_rate=tickrate,count_max=maxticks) - if(phase_plasticity(material_phase(ipc,ip,el)) == PLASTICITY_NONLOCAL_ID) & - call plastic_nonlocal_deltaState(Tstar_v,ip,el) - + plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el))) + case (PLASTICITY_KINEHARDENING_ID) plasticityType + call plastic_kinehardening_deltaState(Tstar_v,ipc,ip,el) + case (PLASTICITY_NONLOCAL_ID) plasticityType + call plastic_nonlocal_deltaState(Tstar_v,ip,el) + end select plasticityType SourceLoop: do s = 1_pInt, phase_Nsources(material_phase(ipc,ip,el)) sourceType: select case (phase_source(s,material_phase(ipc,ip,el))) case (SOURCE_damage_isoBrittle_ID) sourceType call source_damage_isoBrittle_deltaState (constitutive_homogenizedC(ipc,ip,el), Fe, & - ipc, ip, el) + ipc, ip, el) case (SOURCE_vacancy_irradiation_ID) sourceType call source_vacancy_irradiation_deltaState(ipc, ip, el) case (SOURCE_vacancy_thermalfluc_ID) sourceType @@ -1043,6 +1068,7 @@ function constitutive_postResults(Tstar_v, FeArray, ipc, ip, el) PLASTICITY_NONE_ID, & PLASTICITY_ISOTROPIC_ID, & PLASTICITY_PHENOPOWERLAW_ID, & + PLASTICITY_KINEHARDENING_ID, & PLASTICITY_DISLOTWIN_ID, & PLASTICITY_DISLOUCLA_ID, & PLASTICITY_NONLOCAL_ID, & @@ -1054,6 +1080,8 @@ function constitutive_postResults(Tstar_v, FeArray, ipc, ip, el) plastic_isotropic_postResults use plastic_phenopowerlaw, only: & plastic_phenopowerlaw_postResults + use plastic_kinehardening, only: & + plastic_kinehardening_postResults use plastic_dislotwin, only: & plastic_dislotwin_postResults use plastic_disloucla, only: & @@ -1102,6 +1130,9 @@ function constitutive_postResults(Tstar_v, FeArray, ipc, ip, el) case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType constitutive_postResults(startPos:endPos) = & plastic_phenopowerlaw_postResults(Tstar_v,ipc,ip,el) + case (PLASTICITY_KINEHARDENING_ID) plasticityType + constitutive_postResults(startPos:endPos) = & + plastic_kinehardening_postResults(Tstar_v,ipc,ip,el) case (PLASTICITY_DISLOTWIN_ID) plasticityType constitutive_postResults(startPos:endPos) = & plastic_dislotwin_postResults(Tstar_v,temperature(ho)%p(tme),ipc,ip,el) diff --git a/src/crystallite.f90 b/src/crystallite.f90 index 3ff4417fe..12bf19871 100644 --- a/src/crystallite.f90 +++ b/src/crystallite.f90 @@ -986,7 +986,9 @@ subroutine crystallite_stressAndItsTangent(updateJaco) crystallite_todo(c,i,e) = crystallite_subStep(c,i,e) > subStepMinCryst ! still on track or already done (beyond repair) !$OMP FLUSH(crystallite_todo) #ifdef DEBUG - if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt) then + if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt & + .and. ((e == debug_e .and. i == debug_i .and. c == debug_g) & + .or. .not. iand(debug_level(debug_crystallite),debug_levelSelective) /= 0_pInt)) then if (crystallite_todo(c,i,e)) then write(6,'(a,f12.8,a,i8,1x,i2,1x,i3,/)') '<< CRYST >> cutback step in crystallite_stressAndItsTangent & &with new crystallite_subStep: ',& @@ -1042,16 +1044,25 @@ subroutine crystallite_stressAndItsTangent(updateJaco) endif timeSyncing2 if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then - write(6,'(/,a,e12.5)') '<< CRYST >> min(subStep) ',minval(crystallite_subStep) - write(6,'(a,e12.5)') '<< CRYST >> max(subStep) ',maxval(crystallite_subStep) - write(6,'(a,e12.5)') '<< CRYST >> min(subFrac) ',minval(crystallite_subFrac) - write(6,'(a,e12.5,/)') '<< CRYST >> max(subFrac) ',maxval(crystallite_subFrac) + write(6,'(/,a,f8.5)') '<< CRYST >> min(subStep) ',minval(crystallite_subStep) + write(6,'(a,f8.5)') '<< CRYST >> max(subStep) ',maxval(crystallite_subStep) + write(6,'(a,f8.5)') '<< CRYST >> min(subFrac) ',minval(crystallite_subFrac) + write(6,'(a,f8.5,/)') '<< CRYST >> max(subFrac) ',maxval(crystallite_subFrac) flush(6) + if (iand(debug_level(debug_crystallite),debug_levelSelective) /= 0_pInt) then + write(6,'(/,a,f8.5,1x,a,1x,f8.5,1x,a)') '<< CRYST >> subFrac + subStep = ',& + crystallite_subFrac(debug_g,debug_i,debug_e),'+',crystallite_subStep(debug_g,debug_i,debug_e),'@selective' + flush(6) + endif endif ! --- integrate --- requires fully defined state array (basic + dependent state) if (any(crystallite_todo)) then + if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then + write(6,'(/,a,i3)') '<< CRYST >> using state integrator ',numerics_integrator(numerics_integrationMode) + flush(6) + endif select case(numerics_integrator(numerics_integrationMode)) case(1_pInt) call crystallite_integrateStateFPI() @@ -2702,6 +2713,9 @@ subroutine crystallite_integrateStateFPI() singleRun = (eIter(1) == eIter(2) .and. iIter(1,eIter(1)) == iIter(2,eIter(2))) + if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) & + write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_todo(:,:,:)),' grains todo at start of state integration' + !-------------------------------------------------------------------------------------------------- ! initialize dotState if (.not. singleRun) then @@ -2754,6 +2768,8 @@ subroutine crystallite_integrateStateFPI() NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(mySource)%dotState(:,c))) enddo if (NaN) then ! NaN occured in any dotState + if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) & + write(6,*) '<< CRYST >> dotstate ',plasticState(p)%dotState(:,c) if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken is a non-local... !$OMP CRITICAL (checkTodo) crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals done (and broken) @@ -2767,6 +2783,9 @@ subroutine crystallite_integrateStateFPI() !$OMP ENDDO ! --- UPDATE STATE --- + if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) & + write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_todo(:,:,:)),' grains todo after preguess of state' + !$OMP DO PRIVATE(mySizePlasticDotState,mySizeSourceDotState,p,c) do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains @@ -2822,6 +2841,9 @@ subroutine crystallite_integrateStateFPI() ! --- STRESS INTEGRATION --- + if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) & + write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_todo(:,:,:)),' grains todo before stress integration' + !$OMP DO do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains !$OMP FLUSH(crystallite_todo) @@ -2976,7 +2998,11 @@ subroutine crystallite_integrateStateFPI() .or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then write(6,'(a,i8,1x,i2,1x,i3,/)') '<< CRYST >> update state at el ip g ',e,i,g write(6,'(a,f6.1,/)') '<< CRYST >> plasticstatedamper ',plasticStatedamper - write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> plastic state residuum',plasticStateResiduum(1:mySizePlasticDotState) + write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> plastic state residuum',& + abs(plasticStateResiduum(1:mySizePlasticDotState)) + write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> abstol dotstate',plasticState(p)%aTolState(1:mySizePlasticDotState) + write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> reltol dotstate',rTol_crystalliteState* & + abs(tempPlasticState(1:mySizePlasticDotState)) write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state',tempPlasticState(1:mySizePlasticDotState) endif #endif @@ -3036,8 +3062,8 @@ subroutine crystallite_integrateStateFPI() !$OMP END PARALLEL if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) & - write(6,'(a,i8,a,i2,/)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), & - ' grains converged after state integration #', NiterationState + write(6,'(a,i8,a,i2)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), & + ' grains converged after state integration #', NiterationState ! --- NON-LOCAL CONVERGENCE CHECK --- @@ -3152,8 +3178,8 @@ logical function crystallite_stateJump(ipc,ip,el) write(6,'(a,i8,1x,i2,1x,i3, /)') '<< CRYST >> update state at el ip ipc ',el,ip,ipc write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> deltaState', plasticState(p)%deltaState(1:mySizePlasticDeltaState,c) write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', & - plasticState(p)%state(myOffsetSourceDeltaState + 1_pInt : & - myOffsetSourceDeltaState + mySizeSourceDeltaState,c) + plasticState(p)%state(myOffsetPlasticDeltaState + 1_pInt : & + myOffsetPlasticDeltaState + mySizePlasticDeltaState,c) endif #endif @@ -3195,9 +3221,9 @@ end function crystallite_push33ToRef !> intermediate acceleration of the Newton-Raphson correction !-------------------------------------------------------------------------------------------------- logical function crystallite_integrateStress(& - ipc,& ! grain number - ip,& ! integration point number - el,& ! element number + ipc,& ! grain number + ip,& ! integration point number + el,& ! element number timeFraction & ) use, intrinsic :: & @@ -3252,10 +3278,10 @@ logical function crystallite_integrateStress(& #endif implicit none - integer(pInt), intent(in):: el, & ! element index - ip, & ! integration point index - ipc ! grain index - real(pReal), optional, intent(in) :: timeFraction ! fraction of timestep + integer(pInt), intent(in):: el, & ! element index + ip, & ! integration point index + ipc ! grain index + real(pReal), optional, intent(in) :: timeFraction ! fraction of timestep !*** local variables ***! real(pReal), dimension(3,3):: Fg_new, & ! deformation gradient at end of timestep @@ -3330,7 +3356,6 @@ logical function crystallite_integrateStress(& write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> integrateStress at el ip ipc ',el,ip,ipc #endif - !* only integrate over fraction of timestep? if (present(timeFraction)) then @@ -3417,7 +3442,7 @@ logical function crystallite_integrateStress(& #ifdef DEBUG if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) & write(6,'(a,i3,a,i8,1x,a,i8,a,1x,i2,1x,i3,/)') '<< CRYST >> integrateStress reached loop limit',nStress, & - ' at el (elFE) ip ipc ', el,mesh_element(1,el),ip,ipc + ' at el (elFE) ip ipc ', el,'(',mesh_element(1,el),')',ip,ipc #endif return endif loopsExeced @@ -3426,7 +3451,8 @@ logical function crystallite_integrateStress(& B = math_I3 - dt*Lpguess Fe = math_mul33x33(math_mul33x33(A,B), invFi_new) ! current elastic deformation tensor - call constitutive_TandItsTangent(Tstar, dT_dFe3333, dT_dFi3333, Fe, Fi_new, ipc, ip, el) ! call constitutive law to calculate 2nd Piola-Kirchhoff stress and its derivative in unloaded configuration + call constitutive_TandItsTangent(Tstar, dT_dFe3333, dT_dFi3333, & + Fe, Fi_new, ipc, ip, el) ! call constitutive law to calculate 2nd Piola-Kirchhoff stress and its derivative in unloaded configuration Tstar_v = math_Mandel33to6(Tstar) !* calculate plastic velocity gradient and its tangent from constitutive law @@ -3434,6 +3460,17 @@ logical function crystallite_integrateStress(& if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) & call system_clock(count=tick,count_rate=tickrate,count_max=maxticks) +#ifdef DEBUG + if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt & + .and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) & + .or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then + write(6,'(a,i3,/)') '<< CRYST >> stress iteration ', NiterationStressLp + write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Lpguess', math_transpose33(Lpguess) + write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Fi', math_transpose33(Fi_new) + write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Fe', math_transpose33(Fe) + write(6,'(a,/,6(e20.10,1x))') '<< CRYST >> Tstar', Tstar_v + endif +#endif call constitutive_LpAndItsTangent(Lp_constitutive, dLp_dT3333, dLp_dFi3333, & Tstar_v, Fi_new, ipc, ip, el) @@ -3451,9 +3488,7 @@ logical function crystallite_integrateStress(& if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt & .and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) & .or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then - write(6,'(a,i3,/)') '<< CRYST >> stress iteration ', NiterationStressLp - write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Lp_constitutive', math_transpose33(Lp_constitutive) - write(6,'(a,/,3(12x,3(e20.7,1x)/))') '<< CRYST >> Lpguess', math_transpose33(Lpguess) + write(6,'(a,/,3(12x,3(e20.10,1x)/))') '<< CRYST >> Lp_constitutive', math_transpose33(Lp_constitutive) endif #endif @@ -3483,6 +3518,13 @@ logical function crystallite_integrateStress(& else ! not converged and residuum not improved... steplengthLp = subStepSizeLp * steplengthLp ! ...try with smaller step length in same direction Lpguess = Lpguess_old + steplengthLp * deltaLp +#ifdef DEBUG + if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt & + .and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) & + .or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then + write(6,'(a,1x,f7.4)') '<< CRYST >> linear search for Lpguess with step', steplengthLp + endif +#endif cycle LpLoop endif @@ -3496,6 +3538,16 @@ logical function crystallite_integrateStress(& dFe_dLp3333 = - dt * dFe_dLp3333 dRLp_dLp = math_identity2nd(9_pInt) & - math_Plain3333to99(math_mul3333xx3333(math_mul3333xx3333(dLp_dT3333,dT_dFe3333),dFe_dLp3333)) +#ifdef DEBUG + if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt & + .and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) & + .or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then + write(6,'(a,/,9(12x,9(e12.4,1x)/))') '<< CRYST >> dLp_dT', math_Plain3333to99(dLp_dT3333) + write(6,'(a,1x,e20.10)') '<< CRYST >> dLp_dT norm', norm2(math_Plain3333to99(dLp_dT3333)) + write(6,'(a,/,9(12x,9(e12.4,1x)/))') '<< CRYST >> dRLp_dLp', dRLp_dLp - math_identity2nd(9_pInt) + write(6,'(a,1x,e20.10)') '<< CRYST >> dRLp_dLp norm', norm2(dRLp_dLp - math_identity2nd(9_pInt)) + endif +#endif dRLp_dLp2 = dRLp_dLp ! will be overwritten in first call to LAPACK routine work = math_plain33to9(residuumLp) call dgesv(9,1,dRLp_dLp2,9,ipiv,work,9,ierr) ! solve dRLp/dLp * delta Lp = -res for delta Lp diff --git a/src/debug.f90 b/src/debug.f90 index c4c3ddd60..feb1c9fe4 100644 --- a/src/debug.f90 +++ b/src/debug.f90 @@ -443,13 +443,15 @@ subroutine debug_info write(6,'(a15,i10,1x,i10)') ' total',integral,sum(debug_MaterialpointLoopDistribution) endif debugOutputHomog - debugOutputCPFEM: if (iand(debug_level(debug_CPFEM),debug_LEVELBASIC) /= 0) then - write(6,'(2/,a,/)') ' Extreme values of returned stress and jacobian' + debugOutputCPFEM: if (iand(debug_level(debug_CPFEM),debug_LEVELBASIC) /= 0 & + .and. any(debug_stressMinLocation /= 0_pInt) & + .and. any(debug_stressMaxLocation /= 0_pInt) ) then + write(6,'(2/,a,/)') ' Extreme values of returned stress and Jacobian' write(6,'(a39)') ' value el ip' - write(6,'(a14,1x,e12.3,1x,i6,1x,i4)') ' stress min :', debug_stressMin, debug_stressMinLocation - write(6,'(a14,1x,e12.3,1x,i6,1x,i4)') ' max :', debug_stressMax, debug_stressMaxLocation - write(6,'(a14,1x,e12.3,1x,i6,1x,i4)') ' jacobian min :', debug_jacobianMin, debug_jacobianMinLocation - write(6,'(a14,1x,e12.3,1x,i6,1x,i4,/)') ' max :', debug_jacobianMax, debug_jacobianMaxLocation + write(6,'(a14,1x,e12.3,1x,i8,1x,i4)') ' stress min :', debug_stressMin, debug_stressMinLocation + write(6,'(a14,1x,e12.3,1x,i8,1x,i4)') ' max :', debug_stressMax, debug_stressMaxLocation + write(6,'(a14,1x,e12.3,1x,i8,1x,i4)') ' Jacobian min :', debug_jacobianMin, debug_jacobianMinLocation + write(6,'(a14,1x,e12.3,1x,i8,1x,i4,/)') ' max :', debug_jacobianMax, debug_jacobianMaxLocation endif debugOutputCPFEM !$OMP END CRITICAL (write2out) diff --git a/src/homogenization_RGC.f90 b/src/homogenization_RGC.f90 index 611268393..fe9885215 100644 --- a/src/homogenization_RGC.f90 +++ b/src/homogenization_RGC.f90 @@ -69,7 +69,7 @@ module homogenization_RGC contains !-------------------------------------------------------------------------------------------------- -!> @brief allocates all neccessary fields, reads information from material configuration file +!> @brief allocates all necessary fields, reads information from material configuration file !-------------------------------------------------------------------------------------------------- subroutine homogenization_RGC_init(fileUnit) #if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800 @@ -116,6 +116,10 @@ subroutine homogenization_RGC_init(fileUnit) line = '' write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_RGC_label//' init -+>>>' + write(6,'(/,a)') ' Tjahjanto et al., International Journal of Material Forming, 2(1):939–942, 2009' + write(6,'(/,a)') ' https://doi.org/10.1007/s12289-009-0619-1' + write(6,'(/,a)') ' Tjahjanto et al., Modelling and Simulation in Materials Science and Engineering, 18:015006, 2010' + write(6,'(/,a)') ' https://doi.org/10.1088/0965-0393/18/1/015006' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" diff --git a/src/material.f90 b/src/material.f90 index 090b94023..25d115520 100644 --- a/src/material.f90 +++ b/src/material.f90 @@ -25,6 +25,7 @@ module material PLASTICITY_none_label = 'none', & PLASTICITY_isotropic_label = 'isotropic', & PLASTICITY_phenopowerlaw_label = 'phenopowerlaw', & + PLASTICITY_kinehardening_label = 'kinehardening', & PLASTICITY_dislotwin_label = 'dislotwin', & PLASTICITY_disloucla_label = 'disloucla', & PLASTICITY_nonlocal_label = 'nonlocal', & @@ -72,6 +73,7 @@ module material PLASTICITY_none_ID, & PLASTICITY_isotropic_ID, & PLASTICITY_phenopowerlaw_ID, & + PLASTICITY_kinehardening_ID, & PLASTICITY_dislotwin_ID, & PLASTICITY_disloucla_ID, & PLASTICITY_nonlocal_ID @@ -308,6 +310,7 @@ module material PLASTICITY_none_ID, & PLASTICITY_isotropic_ID, & PLASTICITY_phenopowerlaw_ID, & + PLASTICITY_kinehardening_ID, & PLASTICITY_dislotwin_ID, & PLASTICITY_disloucla_ID, & PLASTICITY_nonlocal_ID, & @@ -983,6 +986,8 @@ subroutine material_parsePhase(fileUnit,myPart) phase_plasticity(section) = PLASTICITY_ISOTROPIC_ID case (PLASTICITY_PHENOPOWERLAW_label) phase_plasticity(section) = PLASTICITY_PHENOPOWERLAW_ID + case (PLASTICITY_KINEHARDENING_label) + phase_plasticity(section) = PLASTICITY_KINEHARDENING_ID case (PLASTICITY_DISLOTWIN_label) phase_plasticity(section) = PLASTICITY_DISLOTWIN_ID case (PLASTICITY_DISLOUCLA_label) diff --git a/src/math.f90 b/src/math.f90 index 8eac3e304..8f228582b 100644 --- a/src/math.f90 +++ b/src/math.f90 @@ -74,6 +74,7 @@ module math public :: & math_init, & math_qsort, & + math_expand, & math_range, & math_identity2nd, & math_identity4th, & diff --git a/src/plastic_disloUCLA.f90 b/src/plastic_disloUCLA.f90 index 9c0a6c494..514652397 100644 --- a/src/plastic_disloUCLA.f90 +++ b/src/plastic_disloUCLA.f90 @@ -176,6 +176,8 @@ subroutine plastic_disloUCLA_init(fileUnit) real(pReal), dimension(:), allocatable :: tempPerSlip write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOUCLA_label//' init -+>>>' + write(6,'(/,a)') ' Cereceda et al., International Journal of Plasticity 78, 2016, 242-256' + write(6,'(/,a)') ' http://dx.doi.org/10.1016/j.ijplas.2015.09.002' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index c7aaf5400..e0da954a6 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -265,6 +265,12 @@ subroutine plastic_dislotwin_init(fileUnit) real(pReal), dimension(:), allocatable :: tempPerSlip, tempPerTwin, tempPerTrans write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>' + write(6,'(/,a)') ' A. Ma and F. Roters, Acta Materialia, 52(12):3603–3612, 2004' + write(6,'(/,a)') ' https://doi.org/10.1016/j.actamat.2004.04.012' + write(6,'(/,a)') ' F.Roters et al., Computational Materials Science, 39:91–95, 2007' + write(6,'(/,a)') ' https://doi.org/10.1016/j.commatsci.2006.04.014' + write(6,'(/,a)') ' Wong et al., Acta Materialia, 118:140–151, 2016' + write(6,'(/,a)') ' https://doi.org/10.1016/j.actamat.2016.07.032' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" diff --git a/src/plastic_isotropic.f90 b/src/plastic_isotropic.f90 index 2ba1238b2..a3a1d5caf 100644 --- a/src/plastic_isotropic.f90 +++ b/src/plastic_isotropic.f90 @@ -62,7 +62,7 @@ module plastic_isotropic end type type, private :: tIsotropicAbsTol !< internal alias for abs tolerance in state - real(pReal), pointer :: & ! scalars along NipcMyInstance + real(pReal), pointer :: & ! scalars flowstress, & accumulatedShear end type @@ -150,6 +150,8 @@ subroutine plastic_isotropic_init(fileUnit) integer(pInt) :: NipcMyPhase write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_ISOTROPIC_label//' init -+>>>' + write(6,'(/,a)') ' Ma et al., Computational Materials Science, 109:323–329, 2015' + write(6,'(/,a)') ' https://doi.org/10.1016/j.commatsci.2015.07.041' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" diff --git a/src/plastic_kinematichardening.f90 b/src/plastic_kinematichardening.f90 new file mode 100644 index 000000000..c33a14db6 --- /dev/null +++ b/src/plastic_kinematichardening.f90 @@ -0,0 +1,969 @@ +!-------------------------------------------------------------------------------------------------- +!> @author Philip Eisenlohr, Michigan State University +!> @author Zhuowen Zhao, Michigan State University +!> @brief Introducing Voce-type kinematic hardening rule into crystal plasticity +!! formulation using a power law fitting +!-------------------------------------------------------------------------------------------------- +module plastic_kinehardening + use prec, only: & + pReal,& + pInt + + implicit none + private + integer(pInt), dimension(:), allocatable, public, protected :: & + plastic_kinehardening_sizePostResults !< cumulative size of post results + + integer(pInt), dimension(:,:), allocatable, target, public :: & + plastic_kinehardening_sizePostResult !< size of each post result output + + character(len=64), dimension(:,:), allocatable, target, public :: & + plastic_kinehardening_output !< name of each post result output + + integer(pInt), dimension(:), allocatable, target, public :: & + plastic_kinehardening_Noutput !< number of outputs per instance + + integer(pInt), dimension(:), allocatable, public, protected :: & + plastic_kinehardening_totalNslip !< no. of slip system used in simulation + + + integer(pInt), dimension(:,:), allocatable, private :: & + plastic_kinehardening_Nslip !< active number of slip systems per family (input parameter, per family) + + + enum, bind(c) + enumerator :: undefined_ID, & + crss_ID, & !< critical resolved stress + crss_back_ID, & !< critical resolved back stress + sense_ID, & !< sense of acting shear stress (-1 or +1) + chi0_ID, & !< backstress at last switch of stress sense (positive?) + gamma0_ID, & !< accumulated shear at last switch of stress sense (at current switch?) + accshear_ID, & + sumGamma_ID, & + shearrate_ID, & + resolvedstress_ID + + end enum + + + type, private :: tParameters !< container type for internal constitutive parameters + integer(kind(undefined_ID)), dimension(:), allocatable, private :: & + outputID !< ID of each post result output + + real(pReal) :: & + gdot0, & !< reference shear strain rate for slip (input parameter) + n_slip, & !< stress exponent for slip (input parameter) + aTolResistance, & + aTolShear + + + real(pReal), dimension(:), allocatable, private :: & + crss0, & !< initial critical shear stress for slip (input parameter, per family) + theta0, & !< initial hardening rate of forward stress for each slip + theta1, & !< asymptotic hardening rate of forward stress for each slip > + theta0_b, & !< initial hardening rate of back stress for each slip > + theta1_b, & !< asymptotic hardening rate of back stress for each slip > + tau1, & + tau1_b, & + interaction_slipslip, & !< latent hardening matrix + nonSchmidCoeff + + real(pReal), dimension(:,:), allocatable, private :: & + hardeningMatrix_SlipSlip + end type + + type, private :: tKinehardeningState + real(pReal), pointer, dimension(:,:) :: & !< vectors along NipcMyInstance + crss, & !< critical resolved stress + crss_back, & !< critical resolved back stress + sense, & !< sense of acting shear stress (-1 or +1) + chi0, & !< backstress at last switch of stress sense + gamma0, & !< accumulated shear at last switch of stress sense + accshear !< accumulated (absolute) shear + + real(pReal), pointer, dimension(:) :: & !< scalars along NipcMyInstance + sumGamma !< accumulated shear across all systems + end type + + type(tParameters), dimension(:), allocatable, private :: & + param !< containers of constitutive parameters (len Ninstance) + + type(tKinehardeningState), allocatable, dimension(:), private :: & + dotState, & + deltaState, & + state, & + state0 + + + public :: & + plastic_kinehardening_init, & + plastic_kinehardening_LpAndItsTangent, & + plastic_kinehardening_dotState, & + plastic_kinehardening_deltaState, & + plastic_kinehardening_postResults + private :: & + plastic_kinehardening_shearRates + + +contains + + + +!-------------------------------------------------------------------------------------------------- +!> @brief module initialization +!> @details reads in material parameters, allocates arrays, and does sanity checks +!-------------------------------------------------------------------------------------------------- +subroutine plastic_kinehardening_init(fileUnit) + use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) + use prec, only: & + dEq0 + use debug, only: & + debug_level, & + debug_constitutive,& + debug_levelBasic + use math, only: & + math_Mandel3333to66, & + math_Voigt66to3333, & + math_expand + use IO, only: & + IO_read, & + IO_lc, & + IO_getTag, & + IO_isBlank, & + IO_stringPos, & + IO_stringValue, & + IO_floatValue, & + IO_intValue, & + IO_warning, & + IO_error, & + IO_timeStamp, & + IO_EOF + use material, only: & + PLASTICITY_kinehardening_label, & + PLASTICITY_kinehardening_ID, & + phase_plasticity, & + phase_plasticityInstance, & + phase_Noutput, & + material_phase, & + plasticState, & + MATERIAL_partPhase + use lattice + use numerics,only: & + numerics_integrator + + implicit none + integer(pInt), intent(in) :: fileUnit + + integer(pInt), allocatable, dimension(:) :: chunkPos + integer(pInt) :: & + o, j, k, f, & + output_ID, & + phase, & + instance, & + maxNinstance, & + NipcMyPhase, & + Nchunks_SlipSlip = 0_pInt, Nchunks_SlipFamilies = 0_pInt, & + Nchunks_nonSchmid = 0_pInt, & + offset_slip, index_myFamily, index_otherFamily, & + startIndex, endIndex, & + mySize, nSlip, nSlipFamilies, & + sizeDotState, & + sizeState, & + sizeDeltaState + + real(pReal), dimension(:), allocatable :: tempPerSlip + + character(len=65536) :: & + tag = '', & + line = '', & + extmsg = '' + character(len=64) :: & + outputtag = '' + + write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_KINEHARDENING_label//' init -+>>>' + write(6,'(a15,a)') ' Current time: ',IO_timeStamp() +#include "compilation_info.f90" + + maxNinstance = int(count(phase_plasticity == PLASTICITY_KINEHARDENING_ID),pInt) + if (maxNinstance == 0_pInt) return + + if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & + write(6,'(a,1x,i5,/)') '# instances:',maxNinstance + + allocate(plastic_kinehardening_sizePostResults(maxNinstance), source=0_pInt) + allocate(plastic_kinehardening_sizePostResult(maxval(phase_Noutput),maxNinstance), & + source=0_pInt) + allocate(plastic_kinehardening_output(maxval(phase_Noutput),maxNinstance)) + plastic_kinehardening_output = '' + allocate(plastic_kinehardening_Noutput(maxNinstance), source=0_pInt) + allocate(plastic_kinehardening_Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt) + allocate(plastic_kinehardening_totalNslip(maxNinstance), source=0_pInt) + allocate(param(maxNinstance)) ! one container of parameters per instance + + rewind(fileUnit) + phase = 0_pInt + do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partPhase) ! wind forward to + line = IO_read(fileUnit) + enddo + + parsingFile: do while (trim(line) /= IO_EOF) ! read through sections of phase part + line = IO_read(fileUnit) + if (IO_isBlank(line)) cycle ! skip empty lines + if (IO_getTag(line,'<','>') /= '') then ! stop at next part + line = IO_read(fileUnit, .true.) ! reset IO_read + exit + endif + if (IO_getTag(line,'[',']') /= '') then ! next phase + phase = phase + 1_pInt ! advance phase section counter + if (phase_plasticity(phase) == PLASTICITY_KINEHARDENING_ID) then + instance = phase_plasticityInstance(phase) ! count instances of my constitutive law + Nchunks_SlipFamilies = count(lattice_NslipSystem(:,phase) > 0_pInt) ! maximum number of slip families according to lattice type of current phase + Nchunks_SlipSlip = maxval(lattice_interactionSlipSlip(:,:,phase)) + Nchunks_nonSchmid = lattice_NnonSchmid(phase) + allocate(param(instance)%outputID(phase_Noutput(phase)), source=undefined_ID) ! allocate space for IDs of every requested output + allocate(param(instance)%crss0 (Nchunks_SlipFamilies), source=0.0_pReal) + allocate(param(instance)%tau1 (Nchunks_SlipFamilies), source=0.0_pReal) + allocate(param(instance)%tau1_b (Nchunks_SlipFamilies), source=0.0_pReal) + allocate(param(instance)%theta0 (Nchunks_SlipFamilies), source=0.0_pReal) + allocate(param(instance)%theta1 (Nchunks_SlipFamilies), source=0.0_pReal) + allocate(param(instance)%theta0_b(Nchunks_SlipFamilies), source=0.0_pReal) + allocate(param(instance)%theta1_b(Nchunks_SlipFamilies), source=0.0_pReal) + allocate(param(instance)%interaction_slipslip(Nchunks_SlipSlip), source=0.0_pReal) + allocate(param(instance)%nonSchmidCoeff(Nchunks_nonSchmid), source=0.0_pReal) + if(allocated(tempPerSlip)) deallocate(tempPerSlip) + allocate(tempPerSlip(Nchunks_SlipFamilies)) + endif + cycle ! skip to next line + endif + if (phase > 0_pInt ) then; if (phase_plasticity(phase) == PLASTICITY_KINEHARDENING_ID) then ! one of my phases. Do not short-circuit here (.and. between if-statements), it's not safe in Fortran + instance = phase_plasticityInstance(phase) ! which instance of my plasticity is present phase + chunkPos = IO_stringPos(line) + tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key + select case(tag) + case ('(output)') + outputtag = IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + output_ID = undefined_ID + select case(outputtag) + case ('resistance') + output_ID = crss_ID + case ('backstress') + output_ID = crss_back_ID + case ('sense') + output_ID = sense_ID + case ('chi0') + output_ID = chi0_ID + case ('gamma0') + output_ID = gamma0_ID + case ('accumulatedshear') + output_ID = accshear_ID + case ('totalshear') + output_ID = sumGamma_ID + case ('shearrate') + output_ID = shearrate_ID + case ('resolvedstress') + output_ID = resolvedstress_ID + end select + + if (output_ID /= undefined_ID) then + plastic_kinehardening_Noutput(instance) = plastic_kinehardening_Noutput(instance) + 1_pInt + plastic_kinehardening_output(plastic_kinehardening_Noutput(instance),instance) = outputtag + param(instance)%outputID (plastic_kinehardening_Noutput(instance)) = output_ID + endif +!-------------------------------------------------------------------------------------------------- +! parameters depending on number of slip families + case ('nslip') + if (chunkPos(1) < Nchunks_SlipFamilies + 1_pInt) & + call IO_warning(50_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_KINEHARDENING_label//')') + if (chunkPos(1) > Nchunks_SlipFamilies + 1_pInt) & + call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_KINEHARDENING_label//')') + Nchunks_SlipFamilies = chunkPos(1) - 1_pInt ! user specified number of (possibly) active slip families (e.g. 6 0 6 --> 3) + do j = 1_pInt, Nchunks_SlipFamilies + plastic_kinehardening_Nslip(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) + enddo + + case ('crss0','tau1','tau1_b','theta0','theta1','theta0_b','theta1_b') + tempPerSlip = 0.0_pReal + do j = 1_pInt, Nchunks_SlipFamilies + if (plastic_kinehardening_Nslip(j,instance) > 0_pInt) & + tempPerSlip(j) = IO_floatValue(line,chunkPos,1_pInt+j) + enddo + select case(tag) + case ('crss0') + param(instance)%crss0(1:Nchunks_SlipFamilies) = tempPerSlip(1:Nchunks_SlipFamilies) + case ('tau1') + param(instance)%tau1(1:Nchunks_SlipFamilies) = tempPerSlip(1:Nchunks_SlipFamilies) + case ('tau1_b') + param(instance)%tau1_b(1:Nchunks_SlipFamilies) = tempPerSlip(1:Nchunks_SlipFamilies) + case ('theta0') + param(instance)%theta0(1:Nchunks_SlipFamilies) = tempPerSlip(1:Nchunks_SlipFamilies) + case ('theta1') + param(instance)%theta1(1:Nchunks_SlipFamilies) = tempPerSlip(1:Nchunks_SlipFamilies) + case ('theta0_b') + param(instance)%theta0_b(1:Nchunks_SlipFamilies) = tempPerSlip(1:Nchunks_SlipFamilies) + case ('theta1_b') + param(instance)%theta1_b(1:Nchunks_SlipFamilies) = tempPerSlip(1:Nchunks_SlipFamilies) + end select + +!-------------------------------------------------------------------------------------------------- +! parameters depending on number of interactions + case ('interaction_slipslip') + if (chunkPos(1) < 1_pInt + Nchunks_SlipSlip) & + call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_KINEHARDENING_label//')') + do j = 1_pInt, Nchunks_SlipSlip + param(instance)%interaction_slipslip(j) = IO_floatValue(line,chunkPos,1_pInt+j) + enddo + case ('nonschmidcoeff') + if (chunkPos(1) < 1_pInt + Nchunks_nonSchmid) & + call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_KINEHARDENING_label//')') + do j = 1_pInt,Nchunks_nonSchmid + param(instance)%nonSchmidCoeff(j) = IO_floatValue(line,chunkPos,1_pInt+j) + enddo +!-------------------------------------------------------------------------------------------------- + case ('gdot0') + param(instance)%gdot0 = IO_floatValue(line,chunkPos,2_pInt) + + case ('n_slip') + param(instance)%n_slip = IO_floatValue(line,chunkPos,2_pInt) + + case ('atol_resistance') + param(instance)%aTolResistance = IO_floatValue(line,chunkPos,2_pInt) + + case ('atol_shear') + param(instance)%aTolShear = IO_floatValue(line,chunkPos,2_pInt) + + case default + + end select + endif; endif + enddo parsingFile + +!-------------------------------------------------------------------------------------------------- +! allocation of variables whose size depends on the total number of active slip systems + allocate(state(maxNinstance)) + allocate(state0(maxNinstance)) + allocate(dotState(maxNinstance)) + allocate(deltaState(maxNinstance)) + + + initializeInstances: do phase = 1_pInt, size(phase_plasticity) ! loop through all phases in material.config + myPhase2: if (phase_plasticity(phase) == PLASTICITY_KINEHARDENING_ID) then ! only consider my phase + NipcMyPhase = count(material_phase == phase) ! number of IPCs containing my phase + instance = phase_plasticityInstance(phase) ! which instance of my phase + plastic_kinehardening_Nslip(1:lattice_maxNslipFamily,instance) = & + min(lattice_NslipSystem(1:lattice_maxNslipFamily,phase),& ! limit active slip systems per family to min of available and requested + plastic_kinehardening_Nslip(1:lattice_maxNslipFamily,instance)) + + plastic_kinehardening_totalNslip(instance) = sum(plastic_kinehardening_Nslip(:,instance)) ! how many slip systems altogether + nSlipFamilies = count(plastic_kinehardening_Nslip(:,instance) > 0_pInt) + nSlip = plastic_kinehardening_totalNslip(instance) ! total number of active slip systems + +!-------------------------------------------------------------------------------------------------- +! sanity checks + + if (any(plastic_kinehardening_Nslip(1:nSlipFamilies,instance) > 0_pInt & + .and. param(instance)%crss0(1:nSlipFamilies) < 0.0_pReal)) extmsg = trim(extmsg)//' crss0' + if (any(plastic_kinehardening_Nslip(1:nSlipFamilies,instance) > 0_pInt & + .and. param(instance)%tau1(1:nSlipFamilies) <= 0.0_pReal)) extmsg = trim(extmsg)//' tau1' + if (any(plastic_kinehardening_Nslip(1:nSlipFamilies,instance) > 0_pInt & + .and. param(instance)%tau1_b(1:nSlipFamilies) < 0.0_pReal)) extmsg = trim(extmsg)//' tau1_b' + if (param(instance)%gdot0 <= 0.0_pReal) extmsg = trim(extmsg)//' gdot0' + if (param(instance)%n_slip <= 0.0_pReal) extmsg = trim(extmsg)//' n_slip' + if (param(instance)%aTolResistance <= 0.0_pReal) param(instance)%aTolResistance = 1.0_pReal ! default absolute tolerance 1 Pa + if (param(instance)%aTolShear <= 0.0_pReal) param(instance)%aTolShear = 1.0e-6_pReal ! default absolute tolerance 1e-6 + if (extmsg /= '') then + extmsg = trim(extmsg)//' ('//PLASTICITY_KINEHARDENING_label//')' ! prepare error message identifier + call IO_error(211_pInt,ip=instance,ext_msg=extmsg) + endif + + +!-------------------------------------------------------------------------------------------------- +! Determine size of postResults array + + outputsLoop: do o = 1_pInt,plastic_kinehardening_Noutput(instance) + select case(param(instance)%outputID(o)) + case(crss_ID, & !< critical resolved stress + crss_back_ID, & !< critical resolved back stress + sense_ID, & !< sense of acting shear stress (-1 or +1) + chi0_ID, & !< backstress at last switch of stress sense + gamma0_ID, & !< accumulated shear at last switch of stress sense + accshear_ID, & + shearrate_ID, & + resolvedstress_ID) + mySize = nSlip + case(sumGamma_ID) + mySize = 1_pInt + case default + end select + + outputFound: if (mySize > 0_pInt) then + plastic_kinehardening_sizePostResult(o,instance) = mySize + plastic_kinehardening_sizePostResults(instance) = plastic_kinehardening_sizePostResults(instance) + mySize + endif outputFound + enddo outputsLoop +!-------------------------------------------------------------------------------------------------- +! allocate state arrays + sizeDotState = nSlip & !< crss + + nSlip & !< crss_back + + nSlip & !< accumulated (absolute) shear + + 1_pInt !< sum(gamma) + + sizeDeltaState = nSlip & !< sense of acting shear stress (-1 or +1) + + nSlip & !< backstress at last switch of stress sense + + nSlip !< accumulated shear at last switch of stress sense + + sizeState = sizeDotState + sizeDeltaState + plasticState(phase)%sizeState = sizeState + plasticState(phase)%sizeDotState = sizeDotState + plasticState(phase)%sizeDeltaState = sizeDeltaState + plasticState(phase)%offsetDeltaState = sizeDotState + plasticState(phase)%sizePostResults = plastic_kinehardening_sizePostResults(instance) + plasticState(phase)%nSlip = nSlip + + allocate(plasticState(phase)%state0 ( sizeState,NipcMyPhase), source=0.0_pReal) + allocate(plasticState(phase)%partionedState0 ( sizeState,NipcMyPhase), source=0.0_pReal) + allocate(plasticState(phase)%subState0 ( sizeState,NipcMyPhase), source=0.0_pReal) + allocate(plasticState(phase)%state ( sizeState,NipcMyPhase), source=0.0_pReal) + allocate(plasticState(phase)%aTolState (sizeDotState), source=0.0_pReal) + allocate(plasticState(phase)%dotState (sizeDotState,NipcMyPhase), source=0.0_pReal) + allocate(plasticState(phase)%deltaState (sizeDeltaState,NipcMyPhase), source=0.0_pReal) ! allocate space for deltaState + if (any(numerics_integrator == 1_pInt)) then + allocate(plasticState(phase)%previousDotState (sizeDotState,NipcMyPhase),source=0.0_pReal) + allocate(plasticState(phase)%previousDotState2(sizeDotState,NipcMyPhase),source=0.0_pReal) + endif + if (any(numerics_integrator == 4_pInt)) & + allocate(plasticState(phase)%RK4dotState (sizeDotState,NipcMyPhase), source=0.0_pReal) + if (any(numerics_integrator == 5_pInt)) & + allocate(plasticState(phase)%RKCK45dotState (6,sizeDotState,NipcMyPhase), source=0.0_pReal) + + offset_slip = plasticState(phase)%nSlip+plasticState(phase)%nTwin+2_pInt + plasticState(phase)%slipRate => & + plasticState(phase)%dotState(offset_slip+1:offset_slip+plasticState(phase)%nSlip,1:NipcMyPhase) + plasticState(phase)%accumulatedSlip => & + plasticState(phase)%state(offset_slip+1:offset_slip+plasticState(phase)%nSlip,1:NipcMyPhase) + + allocate(param(instance)%hardeningMatrix_SlipSlip(nSlip,nSlip), source=0.0_pReal) + do f = 1_pInt,lattice_maxNslipFamily ! >>> interaction slip -- X + index_myFamily = sum(plastic_kinehardening_Nslip(1:f-1_pInt,instance)) + do j = 1_pInt,plastic_kinehardening_Nslip(f,instance) ! loop over (active) systems in my family (slip) + do o = 1_pInt,lattice_maxNslipFamily + index_otherFamily = sum(plastic_kinehardening_Nslip(1:o-1_pInt,instance)) + do k = 1_pInt,plastic_kinehardening_Nslip(o,instance) ! loop over (active) systems in other family (slip) + param(instance)%hardeningMatrix_SlipSlip(index_myFamily+j,index_otherFamily+k) = & + param(instance)%interaction_SlipSlip(lattice_interactionSlipSlip( & + sum(lattice_NslipSystem(1:f-1,phase))+j, & + sum(lattice_NslipSystem(1:o-1,phase))+k, & + phase)) + enddo; enddo + enddo; enddo + +!---------------------------------------------------------------------------------------------- +!locally define dotState alias + + endindex = 0_pInt + o = endIndex ! offset of dotstate index relative to state index + + startIndex = endIndex + 1_pInt + endIndex = endIndex + nSlip + state (instance)%crss => plasticState(phase)%state (startIndex :endIndex ,1:NipcMyPhase) + state0 (instance)%crss => plasticState(phase)%state0 (startIndex :endIndex ,1:NipcMyPhase) + dotState(instance)%crss => plasticState(phase)%dotState (startIndex-o:endIndex-o,1:NipcMyPhase) + + state0(instance)%crss = spread(math_expand(param(instance)%crss0,& + plastic_kinehardening_Nslip(:,instance)), & + 2, NipcMyPhase) + plasticState(phase)%aTolState(startIndex-o:endIndex-o) = param(instance)%aTolResistance + +! ............................................. + startIndex = endIndex + 1_pInt + endIndex = endIndex + nSlip + state (instance)%crss_back => plasticState(phase)%state (startIndex :endIndex ,1:NipcMyPhase) + state0 (instance)%crss_back => plasticState(phase)%state0 (startIndex :endIndex ,1:NipcMyPhase) + dotState(instance)%crss_back => plasticState(phase)%dotState (startIndex-o:endIndex-o,1:NipcMyPhase) + + state0(instance)%crss_back = 0.0_pReal + plasticState(phase)%aTolState(startIndex-o:endIndex-o) = param(instance)%aTolResistance + +! ............................................. + startIndex = endIndex + 1_pInt + endIndex = endIndex + nSlip + state (instance)%accshear => plasticState(phase)%state (startIndex :endIndex ,1:NipcMyPhase) + state0 (instance)%accshear => plasticState(phase)%state0 (startIndex :endIndex ,1:NipcMyPhase) + dotState(instance)%accshear => plasticState(phase)%dotState (startIndex-o:endIndex-o,1:NipcMyPhase) + + state0(instance)%accshear = 0.0_pReal + plasticState(phase)%aTolState(startIndex-o:endIndex-o) = param(instance)%aTolShear + +! ............................................. + startIndex = endIndex + 1_pInt + endIndex = endIndex + 1_pInt + state (instance)%sumGamma => plasticState(phase)%state (startIndex ,1:NipcMyPhase) + state0 (instance)%sumGamma => plasticState(phase)%state0 (startIndex ,1:NipcMyPhase) + dotState(instance)%sumGamma => plasticState(phase)%dotState (startIndex-o ,1:NipcMyPhase) + + state0(instance)%sumGamma = 0.0_pReal + plasticState(phase)%aTolState(startIndex-o:endIndex-o) = param(instance)%aTolShear + +!---------------------------------------------------------------------------------------------- +!locally define deltaState alias + o = endIndex + +! ............................................. + startIndex = endIndex + 1_pInt + endIndex = endIndex + nSlip + state (instance)%sense => plasticState(phase)%state (startIndex :endIndex ,1:NipcMyPhase) + state0 (instance)%sense => plasticState(phase)%state0 (startIndex :endIndex ,1:NipcMyPhase) + deltaState(instance)%sense => plasticState(phase)%deltaState(startIndex-o:endIndex-o,1:NipcMyPhase) + + state0(instance)%sense = 0.0_pReal + +! ............................................. + startIndex = endIndex + 1_pInt + endIndex = endIndex + nSlip + state (instance)%chi0 => plasticState(phase)%state (startIndex :endIndex ,1:NipcMyPhase) + state0 (instance)%chi0 => plasticState(phase)%state0 (startIndex :endIndex ,1:NipcMyPhase) + deltaState(instance)%chi0 => plasticState(phase)%deltaState(startIndex-o:endIndex-o,1:NipcMyPhase) + + state0(instance)%chi0 = 0.0_pReal + +! ............................................. + startIndex = endIndex + 1_pInt + endIndex = endIndex + nSlip + state (instance)%gamma0 => plasticState(phase)%state (startIndex :endIndex ,1:NipcMyPhase) + state0 (instance)%gamma0 => plasticState(phase)%state0 (startIndex :endIndex ,1:NipcMyPhase) + deltaState(instance)%gamma0 => plasticState(phase)%deltaState(startIndex-o:endIndex-o,1:NipcMyPhase) + + state0(instance)%gamma0 = 0.0_pReal + + endif myPhase2 + enddo initializeInstances + +end subroutine plastic_kinehardening_init + +!-------------------------------------------------------------------------------------------------- +!> @brief calculation of shear rates (\dot \gamma) +!-------------------------------------------------------------------------------------------------- +subroutine plastic_kinehardening_shearRates(gdot_pos,gdot_neg,tau_pos,tau_neg, & + Tstar_v,ph,instance,of) + + use lattice, only: & + lattice_NslipSystem, & + lattice_Sslip_v, & + lattice_maxNslipFamily, & + lattice_NnonSchmid + + implicit none + real(pReal), dimension(6), intent(in) :: & + Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation + integer(pInt), intent(in) :: & + ph, & !< phase ID + instance, & !< instance of that phase + of !< index of phaseMember + real(pReal), dimension(plastic_kinehardening_totalNslip(instance)), intent(out) :: & + gdot_pos, & !< shear rates from positive line segments + gdot_neg, & !< shear rates from negative line segments + tau_pos, & !< shear stress on positive line segments + tau_neg !< shear stress on negative line segments + + integer(pInt) :: & + index_myFamily, & + f,i,j,k + + + j = 0_pInt + slipFamilies: do f = 1_pInt,lattice_maxNslipFamily + index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family + slipSystems: do i = 1_pInt,plastic_kinehardening_Nslip(f,instance) + j = j + 1_pInt + tau_pos(j) = dot_product(Tstar_v,lattice_Sslip_v(1:6,1,index_myFamily+i,ph)) + tau_neg(j) = tau_pos(j) + nonSchmidSystems: do k = 1,lattice_NnonSchmid(ph) + tau_pos(j) = tau_pos(j) + param(instance)%nonSchmidCoeff(k)* & + dot_product(Tstar_v,lattice_Sslip_v(1:6,2*k+0,index_myFamily+i,ph)) + tau_neg(j) = tau_neg(j) + param(instance)%nonSchmidCoeff(k)* & + dot_product(Tstar_v,lattice_Sslip_v(1:6,2*k+1,index_myFamily+i,ph)) + enddo nonSchmidSystems + enddo slipSystems + enddo slipFamilies + + gdot_pos = 0.5_pReal * param(instance)%gdot0 * & + (abs(tau_pos-state(instance)%crss_back(:,of))/ & + state(instance)%crss(:,of))**param(instance)%n_slip & + *sign(1.0_pReal,tau_pos-state(instance)%crss_back(:,of)) + gdot_neg = 0.5_pReal * param(instance)%gdot0 * & + (abs(tau_neg-state(instance)%crss_back(:,of))/ & + state(instance)%crss(:,of))**param(instance)%n_slip & + *sign(1.0_pReal,tau_neg-state(instance)%crss_back(:,of)) + + +end subroutine plastic_kinehardening_shearRates + + +!-------------------------------------------------------------------------------------------------- +!> @brief calculates plastic velocity gradient and its tangent +!-------------------------------------------------------------------------------------------------- +subroutine plastic_kinehardening_LpAndItsTangent(Lp,dLp_dTstar99, & + Tstar_v,ipc,ip,el) + use prec, only: & + dNeq0 + use debug, only: & + debug_level, & + debug_constitutive, & + debug_levelExtensive, & + debug_levelSelective, & + debug_e, & + debug_i, & + debug_g + use math, only: & + math_Plain3333to99, & + math_Mandel6to33, & + math_transpose33 + use lattice, only: & + lattice_Sslip, & !< schmid matrix + lattice_Sslip_v, & + lattice_maxNslipFamily, & + lattice_NslipSystem, & + lattice_NnonSchmid + use material, only: & + phaseAt, phasememberAt, & + phase_plasticityInstance + + implicit none + real(pReal), dimension(3,3), intent(out) :: & + Lp !< plastic velocity gradient + real(pReal), dimension(9,9), intent(out) :: & + dLp_dTstar99 !< derivative of Lp with respect to 2nd Piola Kirchhoff stress + + integer(pInt), intent(in) :: & + ipc, & !< component-ID of integration point + ip, & !< integration point + el !< element + real(pReal), dimension(6), intent(in) :: & + Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation + + integer(pInt) :: & + instance, & + index_myFamily, & + f,i,j,k,l,m,n, & + of, & + ph + + real(pReal), dimension(plastic_kinehardening_totalNslip(phase_plasticityInstance(phaseAt(ipc,ip,el)))) :: & + gdot_pos,gdot_neg, & + tau_pos,tau_neg + real(pReal) :: & + dgdot_dtau_pos,dgdot_dtau_neg + real(pReal), dimension(3,3,3,3) :: & + dLp_dTstar3333 !< derivative of Lp with respect to Tstar as 4th order tensor + real(pReal), dimension(3,3,2) :: & + nonSchmid_tensor + + ph = phaseAt(ipc,ip,el) !< figures phase for each material point + of = phasememberAt(ipc,ip,el) !< index of the positions of each constituent of material point, phasememberAt is a function in material that helps figure them out + instance = phase_plasticityInstance(ph) + + Lp = 0.0_pReal + dLp_dTstar3333 = 0.0_pReal + dLp_dTstar99 = 0.0_pReal + + call plastic_kinehardening_shearRates(gdot_pos,gdot_neg,tau_pos,tau_neg, & + Tstar_v,ph,instance,of) + + + j = 0_pInt ! reading and marking the starting index for each slip family + slipFamilies: do f = 1_pInt,lattice_maxNslipFamily + index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family + slipSystems: do i = 1_pInt,plastic_kinehardening_Nslip(f,instance) + j = j + 1_pInt + + ! build nonSchmid tensor + nonSchmid_tensor(1:3,1:3,1) = lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph) + nonSchmid_tensor(1:3,1:3,2) = nonSchmid_tensor(1:3,1:3,1) + do k = 1,lattice_NnonSchmid(ph) + nonSchmid_tensor(1:3,1:3,1) = & + nonSchmid_tensor(1:3,1:3,1) + param(instance)%nonSchmidCoeff(k) * & + lattice_Sslip(1:3,1:3,2*k,index_myFamily+i,ph) + nonSchmid_tensor(1:3,1:3,2) = & + nonSchmid_tensor(1:3,1:3,2) + param(instance)%nonSchmidCoeff(k) * & + lattice_Sslip(1:3,1:3,2*k+1,index_myFamily+i,ph) + enddo + + Lp = Lp + (gdot_pos(j)+gdot_neg(j))*lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph) ! sum of all gdot*SchmidTensor gives Lp + + ! Calculation of the tangent of Lp ! sensitivity of Lp + if (dNeq0(gdot_pos(j))) then + dgdot_dtau_pos = gdot_pos(j)*param(instance)%n_slip/(tau_pos(j)-state(instance)%crss_back(j,of)) + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dTstar3333(k,l,m,n) = & + dLp_dTstar3333(k,l,m,n) + dgdot_dtau_pos*lattice_Sslip(k,l,1,index_myFamily+i,ph)* & + nonSchmid_tensor(m,n,1) + endif + + if (dNeq0(gdot_neg(j))) then + dgdot_dtau_neg = gdot_neg(j)*param(instance)%n_slip/(tau_neg(j)-state(instance)%crss_back(j,of)) + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dTstar3333(k,l,m,n) = & + dLp_dTstar3333(k,l,m,n) + dgdot_dtau_neg*lattice_Sslip(k,l,1,index_myFamily+i,ph)* & + nonSchmid_tensor(m,n,2) + endif + enddo slipSystems + enddo slipFamilies + + dLp_dTstar99 = math_Plain3333to99(dLp_dTstar3333) + +end subroutine plastic_kinehardening_LpAndItsTangent + +!-------------------------------------------------------------------------------------------------- +!> @brief calculates (instantaneous) incremental change of microstructure +!-------------------------------------------------------------------------------------------------- +subroutine plastic_kinehardening_deltaState(Tstar_v,ipc,ip,el) + use prec, only: & + dNeq, & + dEq0 + use debug, only: & + debug_level, & + debug_constitutive, & + debug_levelExtensive, & + debug_levelSelective, & + debug_e, & + debug_i, & + debug_g + use material, only: & + phaseAt, & + phasememberAt, & + phase_plasticityInstance + + implicit none + real(pReal), dimension(6), intent(in):: & + Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation + integer(pInt), intent(in) :: & + ipc, & !< component-ID of integration point + ip, & !< integration point + el !< element + real(pReal), dimension(6) :: & + Tstar_dev_v !< deviatoric 2nd Piola Kirchhoff stress tensor in Mandel notation + real(pReal), dimension(plastic_kinehardening_totalNslip(phase_plasticityInstance(phaseAt(ipc,ip,el)))) :: & + gdot_pos,gdot_neg, & + tau_pos,tau_neg, & + sense + integer(pInt) :: & + ph, & + instance, & !< instance of my instance (unique number of my constitutive model) + of, & + j !< shortcut notation for offset position in state array + + ph = phaseAt(ipc,ip,el) + of = phasememberAt(ipc,ip,el) ! phasememberAt should be tackled by material and be renamed to material_phasemember + instance = phase_plasticityInstance(ph) + + call plastic_kinehardening_shearRates(gdot_pos,gdot_neg,tau_pos,tau_neg, & + Tstar_v,ph,instance,of) + sense = merge(state(instance)%sense(:,of), & ! keep existing... + sign(1.0_pReal,gdot_pos+gdot_neg), & ! ...or have a defined + dEq0(gdot_pos+gdot_neg,1e-10_pReal)) ! current sense of shear direction + +#ifdef DEBUG + if (iand(debug_level(debug_constitutive), debug_levelExtensive) /= 0_pInt & + .and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) & + .or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0_pInt)) then + write(6,'(a)') '======= kinehardening delta state =======' + endif +#endif + +!-------------------------------------------------------------------------------------------------- +! switch in sense of shear? + do j = 1,plastic_kinehardening_totalNslip(instance) +#ifdef DEBUG + if (iand(debug_level(debug_constitutive), debug_levelExtensive) /= 0_pInt & + .and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) & + .or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0_pInt)) then + write(6,'(i2,1x,f7.4,1x,f7.4)') j,sense(j),state(instance)%sense(j,of) + endif +#endif + if (dNeq(sense(j),state(instance)%sense(j,of),0.1_pReal)) then + deltaState(instance)%sense (j,of) = sense(j) - state(instance)%sense(j,of) ! switch sense + deltaState(instance)%chi0 (j,of) = abs(state(instance)%crss_back(j,of)) - state(instance)%chi0(j,of) ! remember current backstress magnitude + deltaState(instance)%gamma0(j,of) = state(instance)%accshear(j,of) - state(instance)%gamma0(j,of) ! remember current accumulated shear + else + deltaState(instance)%sense (j,of) = 0.0_pReal ! no change + deltaState(instance)%chi0 (j,of) = 0.0_pReal + deltaState(instance)%gamma0(j,of) = 0.0_pReal + endif + enddo + +end subroutine plastic_kinehardening_deltaState + + + +!-------------------------------------------------------------------------------------------------- +!> @brief calculates the rate of change of microstructure +!-------------------------------------------------------------------------------------------------- +subroutine plastic_kinehardening_dotState(Tstar_v,ipc,ip,el) + use lattice, only: & + lattice_Sslip_v, & + lattice_maxNslipFamily, & + lattice_NslipSystem, & + lattice_NnonSchmid + use material, only: & + material_phase, & + phaseAt, phasememberAt, & + plasticState, & + phase_plasticityInstance + + implicit none + real(pReal), dimension(6), intent(in) :: & + Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation, vector form + integer(pInt), intent(in) :: & + ipc, & !< component-ID of integration point + ip, & !< integration point + el !< element !< microstructure state + + integer(pInt) :: & + instance,ph, & + f,i,j,k, & + index_myFamily,index_otherFamily, & + nSlip, & + offset_accshear, & + of + + real(pReal), dimension(plastic_kinehardening_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + gdot_pos,gdot_neg, & + tau_pos,tau_neg + + of = phasememberAt(ipc,ip,el) + ph = phaseAt(ipc,ip,el) + instance = phase_plasticityInstance(ph) + nSlip = plastic_kinehardening_totalNslip(instance) + + dotState(instance)%sumGamma(of) = 0.0_pReal + + call plastic_kinehardening_shearRates(gdot_pos,gdot_neg,tau_pos,tau_neg, & + Tstar_v,ph,instance,of) + + j = 0_pInt + slipFamilies: do f = 1_pInt,lattice_maxNslipFamily + slipSystems: do i = 1_pInt,plastic_kinehardening_Nslip(f,instance) + j = j+1_pInt + dotState(instance)%crss(j,of) = & ! evolution of slip resistance j + dot_product(param(instance)%hardeningMatrix_SlipSlip(j,1:nSlip),abs(gdot_pos+gdot_neg)) * & + ( param(instance)%theta1(f) + & + (param(instance)%theta0(f) - param(instance)%theta1(f) & + + param(instance)%theta0(f)*param(instance)%theta1(f)*state(instance)%sumGamma(of)/param(instance)%tau1(f)) & + *exp(-state(instance)%sumGamma(of)*param(instance)%theta0(f)/param(instance)%tau1(f)) & ! V term depending on the harding law + ) + dotState(instance)%crss_back(j,of) = & ! evolution of back stress resistance j + state(instance)%sense(j,of)*abs(gdot_pos(j)+gdot_neg(j)) * & + ( param(instance)%theta1_b(f) + & + (param(instance)%theta0_b(f) - param(instance)%theta1_b(f) & + + param(instance)%theta0_b(f)*param(instance)%theta1_b(f)/(param(instance)%tau1_b(f)+state(instance)%chi0(j,of)) & + *(state(instance)%accshear(j,of)-state(instance)%gamma0(j,of))) & + *exp(-(state(instance)%accshear(j,of)-state(instance)%gamma0(j,of)) & + *param(instance)%theta0_b(f)/(param(instance)%tau1_b(f)+state(instance)%chi0(j,of))) & + ) ! V term depending on the harding law for back stress + + dotState(instance)%accshear(j,of) = abs(gdot_pos(j)+gdot_neg(j)) + dotState(instance)%sumGamma(of) = dotState(instance)%sumGamma(of) + dotState(instance)%accshear(j,of) + enddo slipSystems + enddo slipFamilies + +end subroutine plastic_kinehardening_dotState + +!-------------------------------------------------------------------------------------------------- +!> @brief return array of constitutive results +!-------------------------------------------------------------------------------------------------- +function plastic_kinehardening_postResults(Tstar_v,ipc,ip,el) + use material, only: & + material_phase, & + plasticState, & + phaseAt, phasememberAt, & + phase_plasticityInstance + use lattice, only: & + lattice_Sslip_v, & + lattice_maxNslipFamily, & + lattice_NslipSystem, & + lattice_NnonSchmid + + implicit none + real(pReal), dimension(6), intent(in) :: & + Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation + integer(pInt), intent(in) :: & + ipc, & !< component-ID of integration point + ip, & !< integration point + el !< element !< microstructure state + + real(pReal), dimension(plastic_kinehardening_sizePostResults(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + plastic_kinehardening_postResults + + integer(pInt) :: & + instance,ph, of, & + nSlip,& + o,f,i,c,j,k, & + index_myFamily + + real(pReal), dimension(plastic_kinehardening_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + gdot_pos,gdot_neg, & + tau_pos,tau_neg + + of = phasememberAt(ipc,ip,el) + ph = phaseAt(ipc,ip,el) + instance = phase_plasticityInstance(ph) + + nSlip = plastic_kinehardening_totalNslip(instance) + + plastic_kinehardening_postResults = 0.0_pReal + c = 0_pInt + + call plastic_kinehardening_shearRates(gdot_pos,gdot_neg,tau_pos,tau_neg, & + Tstar_v,ph,instance,of) + + outputsLoop: do o = 1_pInt,plastic_kinehardening_Noutput(instance) + select case(param(instance)%outputID(o)) + case (crss_ID) + plastic_kinehardening_postResults(c+1_pInt:c+nSlip) = state(instance)%crss(:,of) + c = c + nSlip + + case(crss_back_ID) + plastic_kinehardening_postResults(c+1_pInt:c+nSlip) = state(instance)%crss_back(:,of) + c = c + nSlip + + case (sense_ID) + plastic_kinehardening_postResults(c+1_pInt:c+nSlip) = state(instance)%sense(:,of) + c = c + nSlip + + case (chi0_ID) + plastic_kinehardening_postResults(c+1_pInt:c+nSlip) = state(instance)%chi0(:,of) + c = c + nSlip + + case (gamma0_ID) + plastic_kinehardening_postResults(c+1_pInt:c+nSlip) = state(instance)%gamma0(:,of) + c = c + nSlip + + case (accshear_ID) + plastic_kinehardening_postResults(c+1_pInt:c+nSlip) = state(instance)%accshear(:,of) + c = c + nSlip + + case (sumGamma_ID) + plastic_kinehardening_postResults(c+1_pInt) = state(instance)%sumGamma(of) + c = c + 1_pInt + + case (shearrate_ID) + plastic_kinehardening_postResults(c+1_pInt:c+nSlip) = gdot_pos+gdot_neg + c = c + nSlip + + case (resolvedstress_ID) + j = 0_pInt + slipFamilies: do f = 1_pInt,lattice_maxNslipFamily + index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family + slipSystems: do i = 1_pInt,plastic_kinehardening_Nslip(f,instance) + j = j + 1_pInt + plastic_kinehardening_postResults(c+j) = & + dot_product(Tstar_v,lattice_Sslip_v(1:6,1,index_myFamily+i,ph)) + enddo slipSystems + enddo slipFamilies + c = c + nSlip + + end select + enddo outputsLoop + +end function plastic_kinehardening_postResults + +end module plastic_kinehardening diff --git a/src/spectral_damage.f90 b/src/spectral_damage.f90 index 1ac3c4c73..c6caf410d 100644 --- a/src/spectral_damage.f90 +++ b/src/spectral_damage.f90 @@ -103,6 +103,8 @@ subroutine spectral_damage_init() SNESVISetVariableBounds write(6,'(/,a)') ' <<<+- spectral_damage init -+>>>' + write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, volume in press, ' + write(6,'(/,a)') ' chapter Spectral Solvers for Crystal Plasticity and Multi-Physics Simulations. Springer, 2018 ' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" diff --git a/src/spectral_interface.f90 b/src/spectral_interface.f90 index b45e8316c..eca92df9d 100644 --- a/src/spectral_interface.f90 +++ b/src/spectral_interface.f90 @@ -115,6 +115,7 @@ subroutine DAMASK_interface_init() call date_and_time(values = dateAndTime) write(6,'(/,a)') ' <<<+- DAMASK_spectral -+>>>' + write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018' write(6,'(/,a)') ' Version: '//DAMASKVERSION write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',& dateAndTime(2),'/',& diff --git a/src/spectral_mech_AL.f90 b/src/spectral_mech_AL.f90 deleted file mode 100644 index 27a1def0c..000000000 --- a/src/spectral_mech_AL.f90 +++ /dev/null @@ -1,721 +0,0 @@ -!-------------------------------------------------------------------------------------------------- -!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH -!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH -!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH -!> @brief AL scheme solver -!-------------------------------------------------------------------------------------------------- -module spectral_mech_AL - use prec, only: & - pInt, & - pReal - use math, only: & - math_I3 - use spectral_utilities, only: & - tSolutionState, & - tSolutionParams - - implicit none - private -#include - - character (len=*), parameter, public :: & - DAMASK_spectral_solverAL_label = 'al' - -!-------------------------------------------------------------------------------------------------- -! derived types - type(tSolutionParams), private :: params - real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal - -!-------------------------------------------------------------------------------------------------- -! PETSc data - DM, private :: da - SNES, private :: snes - Vec, private :: solution_vec - -!-------------------------------------------------------------------------------------------------- -! common pointwise data - real(pReal), private, dimension(:,:,:,:,:), allocatable :: & - F_lastInc, & !< field of previous compatible deformation gradients - F_lambda_lastInc, & !< field of previous incompatible deformation gradient - Fdot, & !< field of assumed rate of compatible deformation gradient - F_lambdaDot !< field of assumed rate of incopatible deformation gradient - -!-------------------------------------------------------------------------------------------------- -! stress, stiffness and compliance average etc. - real(pReal), private, dimension(3,3) :: & - F_aimDot = 0.0_pReal, & !< assumed rate of average deformation gradient - F_aim = math_I3, & !< current prescribed deformation gradient - F_aim_lastInc = math_I3, & !< previous average deformation gradient - F_av = 0.0_pReal, & !< average incompatible def grad field - P_av = 0.0_pReal, & !< average 1st Piola--Kirchhoff stress - P_avLastEval = 0.0_pReal !< average 1st Piola--Kirchhoff stress last call of CPFEM_general - - character(len=1024), private :: incInfo !< time and increment information - - real(pReal), private, dimension(3,3,3,3) :: & - C_volAvg = 0.0_pReal, & !< current volume average stiffness - C_volAvgLastInc = 0.0_pReal, & !< previous volume average stiffness - C_minMaxAvg = 0.0_pReal, & !< current (min+max)/2 stiffness - C_minMaxAvgLastInc = 0.0_pReal, & !< previous (min+max)/2 stiffness - S = 0.0_pReal, & !< current compliance (filled up with zeros) - C_scale = 0.0_pReal, & - S_scale = 0.0_pReal - - real(pReal), private :: & - err_BC, & !< deviation from stress BC - err_curl, & !< RMS of curl of F - err_div !< RMS of div of P - - integer(pInt), private :: & - totalIter = 0_pInt !< total iteration in current increment - - public :: & - AL_init, & - AL_solution, & - AL_forward, & - AL_destroy - external :: & - PETScFinalize, & - MPI_Abort, & - MPI_Bcast, & - MPI_Allreduce - -contains - -!-------------------------------------------------------------------------------------------------- -!> @brief allocates all necessary fields and fills them with data, potentially from restart info -!> @todo use sourced allocation, e.g. allocate(Fdot,source = F_lastInc) -!-------------------------------------------------------------------------------------------------- -subroutine AL_init -#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800 - use, intrinsic :: iso_fortran_env, only: & - compiler_version, & - compiler_options -#endif - use IO, only: & - IO_intOut, & - IO_read_realFile, & - IO_timeStamp - use debug, only: & - debug_level, & - debug_spectral, & - debug_spectralRestart - use FEsolving, only: & - restartInc - use numerics, only: & - worldrank, & - worldsize - use homogenization, only: & - materialpoint_F0 - use DAMASK_interface, only: & - getSolverJobName - use spectral_utilities, only: & - Utilities_constitutiveResponse, & - Utilities_updateGamma, & - Utilities_updateIPcoords, & - wgt - use mesh, only: & - grid, & - grid3 - use math, only: & - math_invSym3333 - - implicit none - real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P - real(pReal), dimension(3,3) :: & - temp33_Real = 0.0_pReal - - PetscErrorCode :: ierr - PetscScalar, pointer, dimension(:,:,:,:) :: & - FandF_lambda, & ! overall pointer to solution data - F, & ! specific (sub)pointer - F_lambda ! specific (sub)pointer - - integer(pInt), dimension(:), allocatable :: localK - integer(pInt) :: proc - character(len=1024) :: rankStr - - external :: & - SNESCreate, & - SNESSetOptionsPrefix, & - DMDACreate3D, & - SNESSetDM, & - DMCreateGlobalVector, & - DMDASNESSetFunctionLocal, & - SNESGetConvergedReason, & - SNESSetConvergenceTest, & - SNESSetFromOptions - - write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>' - write(6,'(a15,a)') ' Current time: ',IO_timeStamp() -#include "compilation_info.f90" - -!-------------------------------------------------------------------------------------------------- -! allocate global fields - allocate (F_lastInc (3,3,grid(1),grid(2),grid3),source = 0.0_pReal) - allocate (Fdot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal) - allocate (F_lambda_lastInc(3,3,grid(1),grid(2),grid3),source = 0.0_pReal) - allocate (F_lambdaDot (3,3,grid(1),grid(2),grid3),source = 0.0_pReal) - -!-------------------------------------------------------------------------------------------------- -! initialize solver specific parts of PETSc - call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr) - call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr) - allocate(localK(worldsize), source = 0); localK(worldrank+1) = grid3 - do proc = 1, worldsize - call MPI_Bcast(localK(proc),1,MPI_INTEGER,proc-1,PETSC_COMM_WORLD,ierr) - enddo - call DMDACreate3d(PETSC_COMM_WORLD, & - DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & ! cut off stencil at boundary - DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point - grid(1),grid(2),grid(3), & ! global grid - 1 , 1, worldsize, & - 18, 0, & ! #dof (F tensor), ghost boundary width (domain overlap) - grid(1),grid(2),localK, & ! local grid - da,ierr) ! handle, error - CHKERRQ(ierr) - call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da - call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor) - call DMDASNESSetFunctionLocal(da,INSERT_VALUES,AL_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector - CHKERRQ(ierr) - call SNESSetConvergenceTest(snes,AL_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged" - CHKERRQ(ierr) - call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments - -!-------------------------------------------------------------------------------------------------- -! init fields - call DMDAVecGetArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr) ! places pointer on PETSc data - F => FandF_lambda( 0: 8,:,:,:) - F_lambda => FandF_lambda( 9:17,:,:,:) - - restart: if (restartInc > 0_pInt) then - if (iand(debug_level(debug_spectral),debug_spectralRestart) /= 0) then - write(6,'(/,a,'//IO_intOut(restartInc)//',a)') & - 'reading values of increment ', restartInc, ' from file' - flush(6) - endif - write(rankStr,'(a1,i0)')'_',worldrank - call IO_read_realFile(777,'F'//trim(rankStr),trim(getSolverJobName()),size(F)) - read (777,rec=1) F; close (777) - call IO_read_realFile(777,'F_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lastInc)) - read (777,rec=1) F_lastInc; close (777) - call IO_read_realFile(777,'F_lambda'//trim(rankStr),trim(getSolverJobName()),size(F_lambda)) - read (777,rec=1) F_lambda; close (777) - call IO_read_realFile(777,'F_lambda_lastInc'//trim(rankStr),trim(getSolverJobName()),size(F_lambda_lastInc)) - read (777,rec=1) F_lambda_lastInc; close (777) - call IO_read_realFile(777,'F_aimDot',trim(getSolverJobName()),size(F_aimDot)) - read (777,rec=1) F_aimDot; close (777) - F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F - F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc - elseif (restartInc == 0_pInt) then restart - F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity - F = reshape(F_lastInc,[9,grid(1),grid(2),grid3]) - F_lambda = F - F_lambda_lastInc = F_lastInc - endif restart - - materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent - call Utilities_updateIPcoords(reshape(F,shape(F_lastInc))) - call Utilities_constitutiveResponse(P,temp33_Real,C_volAvg,C_minMaxAvg, & ! stress field, stress avg, global average of stiffness and (min+max)/2 - reshape(F,shape(F_lastInc)), & ! target F - 0.0_pReal, & ! time increment - math_I3) ! no rotation of boundary condition - nullify(F) - nullify(F_lambda) - call DMDAVecRestoreArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr) ! write data back to PETSc - - restartRead: if (restartInc > 0_pInt) then - if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0 .and. worldrank == 0_pInt) & - write(6,'(/,a,'//IO_intOut(restartInc)//',a)') & - 'reading more values of increment ', restartInc, ' from file' - flush(6) - call IO_read_realFile(777,'C_volAvg',trim(getSolverJobName()),size(C_volAvg)) - read (777,rec=1) C_volAvg; close (777) - call IO_read_realFile(777,'C_volAvgLastInc',trim(getSolverJobName()),size(C_volAvgLastInc)) - read (777,rec=1) C_volAvgLastInc; close (777) - call IO_read_realFile(777,'C_ref',trim(getSolverJobName()),size(C_minMaxAvg)) - read (777,rec=1) C_minMaxAvg; close (777) - endif restartRead - - call Utilities_updateGamma(C_minMaxAvg,.true.) - C_scale = C_minMaxAvg - S_scale = math_invSym3333(C_minMaxAvg) - -end subroutine AL_init - - -!-------------------------------------------------------------------------------------------------- -!> @brief solution for the AL scheme with internal iterations -!-------------------------------------------------------------------------------------------------- -type(tSolutionState) function AL_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation_BC) - use IO, only: & - IO_error - use numerics, only: & - update_gamma - use math, only: & - math_invSym3333 - use spectral_utilities, only: & - tBoundaryCondition, & - Utilities_maskedCompliance, & - Utilities_updateGamma - use FEsolving, only: & - restartWrite, & - terminallyIll - - implicit none - -!-------------------------------------------------------------------------------------------------- -! input data for solution - character(len=*), intent(in) :: & - incInfoIn - real(pReal), intent(in) :: & - timeinc, & !< increment time for current solution - timeinc_old !< increment time of last successful increment - type(tBoundaryCondition), intent(in) :: & - stress_BC - real(pReal), dimension(3,3), intent(in) :: rotation_BC - -!-------------------------------------------------------------------------------------------------- -! PETSc Data - PetscErrorCode :: ierr - SNESConvergedReason :: reason - - external :: & - SNESSolve, & - SNESGetConvergedReason - - incInfo = incInfoIn - -!-------------------------------------------------------------------------------------------------- -! update stiffness (and gamma operator) - S = Utilities_maskedCompliance(rotation_BC,stress_BC%maskLogical,C_volAvg) - if (update_gamma) then - call Utilities_updateGamma(C_minMaxAvg,restartWrite) - C_scale = C_minMaxAvg - S_scale = math_invSym3333(C_minMaxAvg) - endif - -!-------------------------------------------------------------------------------------------------- -! set module wide availabe data - mask_stress = stress_BC%maskFloat - params%stress_BC = stress_BC%values - params%rotation_BC = rotation_BC - params%timeinc = timeinc - params%timeincOld = timeinc_old - -!-------------------------------------------------------------------------------------------------- -! solve BVP - call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr); CHKERRQ(ierr) - -!-------------------------------------------------------------------------------------------------- -! check convergence - call SNESGetConvergedReason(snes,reason,ierr); CHKERRQ(ierr) - - AL_solution%converged = reason > 0 - AL_solution%iterationsNeeded = totalIter - AL_solution%termIll = terminallyIll - terminallyIll = .false. - if (reason == -4) call IO_error(893_pInt) ! MPI error - -end function AL_solution - - -!-------------------------------------------------------------------------------------------------- -!> @brief forms the AL residual vector -!-------------------------------------------------------------------------------------------------- -subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr) - use numerics, only: & - itmax, & - itmin, & - polarAlpha, & - polarBeta - use mesh, only: & - grid, & - grid3 - use IO, only: & - IO_intOut - use math, only: & - math_rotate_backward33, & - math_transpose33, & - math_mul3333xx33, & - math_invSym3333, & - math_mul33x33 - use debug, only: & - debug_level, & - debug_spectral, & - debug_spectralRotation - use spectral_utilities, only: & - wgt, & - tensorField_real, & - utilities_FFTtensorForward, & - utilities_fourierGammaConvolution, & - utilities_FFTtensorBackward, & - Utilities_constitutiveResponse, & - Utilities_divergenceRMS, & - Utilities_curlRMS - use homogenization, only: & - materialpoint_dPdF - use FEsolving, only: & - terminallyIll - - implicit none - DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in - PetscScalar, & - target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal !< what is this? - PetscScalar, & - target, dimension(3,3,2, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: f_scal !< what is this? - PetscScalar, pointer, dimension(:,:,:,:,:) :: & - F, & - F_lambda, & - residual_F, & - residual_F_lambda - PetscInt :: & - PETScIter, & - nfuncs - PetscObject :: dummy - PetscErrorCode :: ierr - integer(pInt) :: & - i, j, k, e - - external :: & - SNESGetNumberFunctionEvals, & - SNESGetIterationNumber - - F => x_scal(1:3,1:3,1,& - XG_RANGE,YG_RANGE,ZG_RANGE) - F_lambda => x_scal(1:3,1:3,2,& - XG_RANGE,YG_RANGE,ZG_RANGE) - residual_F => f_scal(1:3,1:3,1,& - X_RANGE, Y_RANGE, Z_RANGE) - residual_F_lambda => f_scal(1:3,1:3,2,& - X_RANGE, Y_RANGE, Z_RANGE) - - F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt - call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr) - - call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr) - call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr) - - if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment -!-------------------------------------------------------------------------------------------------- -! begin of new iteration - newIteration: if (totalIter <= PETScIter) then - totalIter = totalIter + 1_pInt - write(6,'(1x,a,3(a,'//IO_intOut(itmax)//'))') & - trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax - if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) & - write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') & - ' deformation gradient aim (lab) =', math_transpose33(math_rotate_backward33(F_aim,params%rotation_BC)) - write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') & - ' deformation gradient aim =', math_transpose33(F_aim) - flush(6) - endif newIteration - -!-------------------------------------------------------------------------------------------------- -! - tensorField_real = 0.0_pReal - do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1) - tensorField_real(1:3,1:3,i,j,k) = & - polarBeta*math_mul3333xx33(C_scale,F(1:3,1:3,i,j,k) - math_I3) -& - polarAlpha*math_mul33x33(F(1:3,1:3,i,j,k), & - math_mul3333xx33(C_scale,F_lambda(1:3,1:3,i,j,k) - math_I3)) - enddo; enddo; enddo - -!-------------------------------------------------------------------------------------------------- -! doing convolution in Fourier space - call utilities_FFTtensorForward() - call utilities_fourierGammaConvolution(math_rotate_backward33(polarBeta*F_aim,params%rotation_BC)) - call utilities_FFTtensorBackward() - -!-------------------------------------------------------------------------------------------------- -! constructing F_lambda residual - residual_F_lambda = polarBeta*F - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) !< eq (16) in doi: 10.1016/j.ijplas.2014.02.006 - -!-------------------------------------------------------------------------------------------------- -! evaluate constitutive response - P_avLastEval = P_av - - call Utilities_constitutiveResponse(residual_F,P_av,C_volAvg,C_minMaxAvg, & - F - residual_F_lambda/polarBeta,params%timeinc, params%rotation_BC) - call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr) - -!-------------------------------------------------------------------------------------------------- -! calculate divergence - tensorField_real = 0.0_pReal - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residual_F !< stress field in disguise - call utilities_FFTtensorForward() - err_div = Utilities_divergenceRMS() !< root mean squared error in divergence of stress - -!-------------------------------------------------------------------------------------------------- -! constructing residual - e = 0_pInt - do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1) - e = e + 1_pInt - residual_F(1:3,1:3,i,j,k) = math_mul3333xx33(math_invSym3333(materialpoint_dPdF(1:3,1:3,1:3,1:3,1,e) + C_scale), & - residual_F(1:3,1:3,i,j,k) - & - math_mul33x33(F(1:3,1:3,i,j,k), & - math_mul3333xx33(C_scale,F_lambda(1:3,1:3,i,j,k) - math_I3))) & - + residual_F_lambda(1:3,1:3,i,j,k) !< eq (16) in doi: 10.1016/j.ijplas.2014.02.006 - enddo; enddo; enddo - -!-------------------------------------------------------------------------------------------------- -! calculating curl - tensorField_real = 0.0_pReal - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F - call utilities_FFTtensorForward() - err_curl = Utilities_curlRMS() - - nullify(F) - nullify(F_lambda) - nullify(residual_F) - nullify(residual_F_lambda) -end subroutine AL_formResidual - - -!-------------------------------------------------------------------------------------------------- -!> @brief convergence check -!-------------------------------------------------------------------------------------------------- -subroutine AL_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr) - use numerics, only: & - itmax, & - itmin, & - err_div_tolRel, & - err_div_tolAbs, & - err_curl_tolRel, & - err_curl_tolAbs, & - err_stress_tolRel, & - err_stress_tolAbs - use math, only: & - math_mul3333xx33 - use FEsolving, only: & - terminallyIll - - implicit none - SNES :: snes_local - PetscInt :: PETScIter - PetscReal :: & - xnorm, & - snorm, & - fnorm - SNESConvergedReason :: reason - PetscObject :: dummy - PetscErrorCode :: ierr - real(pReal) :: & - curlTol, & - divTol, & - BCTol - -!-------------------------------------------------------------------------------------------------- -! stress BC handling - F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc - err_BC = maxval(abs((1.0_pReal-mask_stress) * math_mul3333xx33(C_scale,F_aim-F_av) + & - mask_stress * (P_av-params%stress_BC))) ! mask = 0.0 for no bc - -!-------------------------------------------------------------------------------------------------- -! error calculation - curlTol = max(maxval(abs(F_aim-math_I3))*err_curl_tolRel ,err_curl_tolAbs) - divTol = max(maxval(abs(P_av)) *err_div_tolRel ,err_div_tolAbs) - BCTol = max(maxval(abs(P_av)) *err_stress_tolRel,err_stress_tolAbs) - - converged: if ((totalIter >= itmin .and. & - all([ err_div /divTol, & - err_curl/curlTol, & - err_BC /BCTol ] < 1.0_pReal)) & - .or. terminallyIll) then - reason = 1 - elseif (totalIter >= itmax) then converged - reason = -1 - else converged - reason = 0 - endif converged - -!-------------------------------------------------------------------------------------------------- -! report - write(6,'(1/,a)') ' ... reporting .............................................................' - write(6,'(/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', & - err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')' - write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', & - err_curl/curlTol,' (',err_curl,' -, tol = ',curlTol,')' - write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', & - err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')' - write(6,'(/,a)') ' ===========================================================================' - flush(6) - -end subroutine AL_converged - -!-------------------------------------------------------------------------------------------------- -!> @brief forwarding routine -!> @details find new boundary conditions and best F estimate for end of current timestep -!> possibly writing restart information, triggering of state increment in DAMASK, and updating of IPcoordinates -!-------------------------------------------------------------------------------------------------- -subroutine AL_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,stress_BC,rotation_BC) - use math, only: & - math_mul33x33, & - math_mul3333xx33, & - math_transpose33, & - math_rotate_backward33 - use numerics, only: & - worldrank - use homogenization, only: & - materialpoint_F0 - use mesh, only: & - grid, & - grid3 - use CPFEM2, only: & - CPFEM_age - use spectral_utilities, only: & - Utilities_calculateRate, & - Utilities_forwardField, & - Utilities_updateIPcoords, & - tBoundaryCondition, & - cutBack - use IO, only: & - IO_write_JobRealFile - use FEsolving, only: & - restartWrite - - implicit none - logical, intent(in) :: & - guess - real(pReal), intent(in) :: & - timeinc_old, & - timeinc, & - loadCaseTime !< remaining time of current load case - type(tBoundaryCondition), intent(in) :: & - stress_BC, & - deformation_BC - real(pReal), dimension(3,3), intent(in) ::& - rotation_BC - PetscErrorCode :: ierr - PetscScalar, dimension(:,:,:,:), pointer :: FandF_lambda, F, F_lambda - integer(pInt) :: i, j, k - real(pReal), dimension(3,3) :: F_lambda33 - character(len=32) :: rankStr - -!-------------------------------------------------------------------------------------------------- -! update coordinates and rate and forward last inc - call DMDAVecGetArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr) - F => FandF_lambda( 0: 8,:,:,:) - F_lambda => FandF_lambda( 9:17,:,:,:) - - if (cutBack) then - C_volAvg = C_volAvgLastInc ! QUESTION: where is this required? - C_minMaxAvg = C_minMaxAvgLastInc ! QUESTION: where is this required? - else - !-------------------------------------------------------------------------------------------------- - ! restart information for spectral solver - if (restartWrite) then ! QUESTION: where is this logical properly set? - write(6,'(/,a)') ' writing converged results for restart' - flush(6) - - if (worldrank == 0_pInt) then - call IO_write_jobRealFile(777,'C_volAvg',size(C_volAvg)) - write (777,rec=1) C_volAvg; close(777) - call IO_write_jobRealFile(777,'C_volAvgLastInc',size(C_volAvgLastInc)) - write (777,rec=1) C_volAvgLastInc; close(777) - ! call IO_write_jobRealFile(777,'C_minMaxAvg',size(C_volAvg)) - ! write (777,rec=1) C_minMaxAvg; close(777) - ! call IO_write_jobRealFile(777,'C_minMaxAvgLastInc',size(C_volAvgLastInc)) - ! write (777,rec=1) C_minMaxAvgLastInc; close(777) - call IO_write_jobRealFile(777,'F_aimDot',size(F_aimDot)) - write (777,rec=1) F_aimDot; close(777) - endif - - write(rankStr,'(a1,i0)')'_',worldrank - call IO_write_jobRealFile(777,'F'//trim(rankStr),size(F)) ! writing deformation gradient field to file - write (777,rec=1) F; close (777) - call IO_write_jobRealFile(777,'F_lastInc'//trim(rankStr),size(F_lastInc)) ! writing F_lastInc field to file - write (777,rec=1) F_lastInc; close (777) - call IO_write_jobRealFile(777,'F_lambda'//trim(rankStr),size(F_lambda)) ! writing deformation gradient field to file - write (777,rec=1) F_lambda; close (777) - call IO_write_jobRealFile(777,'F_lambda_lastInc'//trim(rankStr),size(F_lambda_lastInc)) ! writing F_lastInc field to file - write (777,rec=1) F_lambda_lastInc; close (777) - endif - - call CPFEM_age() ! age state and kinematics - call utilities_updateIPcoords(F) - - C_volAvgLastInc = C_volAvg - C_minMaxAvgLastInc = C_minMaxAvg - - if (guess) then ! QUESTION: better with a = L ? x:y - F_aimDot = stress_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old ! initialize with correction based on last inc - else - F_aimDot = 0.0_pReal - endif - F_aim_lastInc = F_aim - !-------------------------------------------------------------------------------------------------- - ! calculate rate for aim - if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F - F_aimDot = & - F_aimDot + deformation_BC%maskFloat * math_mul33x33(deformation_BC%values, F_aim_lastInc) - elseif(deformation_BC%myType=='fdot') then ! F_aimDot is prescribed - F_aimDot = & - F_aimDot + deformation_BC%maskFloat * deformation_BC%values - elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed - F_aimDot = & - F_aimDot + deformation_BC%maskFloat * (deformation_BC%values - F_aim_lastInc)/loadCaseTime - endif - - - Fdot = Utilities_calculateRate(guess, & - F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, & - math_rotate_backward33(F_aimDot,rotation_BC)) - F_lambdaDot = Utilities_calculateRate(guess, & - F_lambda_lastInc,reshape(F_lambda,[3,3,grid(1),grid(2),grid3]), timeinc_old, & - math_rotate_backward33(F_aimDot,rotation_BC)) - F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3]) ! winding F forward - F_lambda_lastInc = reshape(F_lambda, [3,3,grid(1),grid(2),grid3]) ! winding F_lambda forward - materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent - endif - -!-------------------------------------------------------------------------------------------------- -! update average and local deformation gradients - F_aim = F_aim_lastInc + F_aimDot * timeinc - - F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average - math_rotate_backward33(F_aim,rotation_BC)),& - [9,grid(1),grid(2),grid3]) - if (guess) then - F_lambda = reshape(Utilities_forwardField(timeinc,F_lambda_lastInc,F_lambdadot), & - [9,grid(1),grid(2),grid3]) ! does not have any average value as boundary condition - else - do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid(1) - F_lambda33 = reshape(F_lambda(1:9,i,j,k),[3,3]) - F_lambda33 = math_mul3333xx33(S_scale,math_mul33x33(F_lambda33, & - math_mul3333xx33(C_scale,& - math_mul33x33(math_transpose33(F_lambda33),& - F_lambda33) -math_I3))*0.5_pReal)& - + math_I3 - F_lambda(1:9,i,j,k) = reshape(F_lambda33,[9]) - enddo; enddo; enddo - endif - - nullify(F) - nullify(F_lambda) - call DMDAVecRestoreArrayF90(da,solution_vec,FandF_lambda,ierr); CHKERRQ(ierr) - -end subroutine AL_forward - -!-------------------------------------------------------------------------------------------------- -!> @brief destroy routine -!-------------------------------------------------------------------------------------------------- -subroutine AL_destroy() - use spectral_utilities, only: & - Utilities_destroy - - implicit none - PetscErrorCode :: ierr - - external :: & - VecDestroy, & - SNESDestroy, & - DMDestroy - - call VecDestroy(solution_vec,ierr); CHKERRQ(ierr) - call SNESDestroy(snes,ierr); CHKERRQ(ierr) - call DMDestroy(da,ierr); CHKERRQ(ierr) - -end subroutine AL_destroy - -end module spectral_mech_AL diff --git a/src/spectral_mech_Basic.f90 b/src/spectral_mech_Basic.f90 index 171eeacad..bef70153d 100644 --- a/src/spectral_mech_Basic.f90 +++ b/src/spectral_mech_Basic.f90 @@ -135,7 +135,9 @@ subroutine basicPETSc_init SNESSetFromOptions write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasicPETSc init -+>>>' - write(6,'(a15,a)') ' Current time: ',IO_timeStamp() + write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity, 66:31–45, 2015' + write(6,'(/,a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006' + write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" !-------------------------------------------------------------------------------------------------- diff --git a/src/spectral_mech_Polarisation.f90 b/src/spectral_mech_Polarisation.f90 index acd713c70..02e0e0ab8 100644 --- a/src/spectral_mech_Polarisation.f90 +++ b/src/spectral_mech_Polarisation.f90 @@ -145,7 +145,9 @@ subroutine Polarisation_init SNESSetFromOptions write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverPolarisation init -+>>>' - write(6,'(a15,a)') ' Current time: ',IO_timeStamp() + write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity, 66:31–45, 2015' + write(6,'(/,a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006' + write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" !-------------------------------------------------------------------------------------------------- diff --git a/src/spectral_thermal.f90 b/src/spectral_thermal.f90 index f89184543..ff318f395 100644 --- a/src/spectral_thermal.f90 +++ b/src/spectral_thermal.f90 @@ -103,7 +103,9 @@ subroutine spectral_thermal_init mainProcess: if (worldrank == 0_pInt) then write(6,'(/,a)') ' <<<+- spectral_thermal init -+>>>' - write(6,'(a15,a)') ' Current time: ',IO_timeStamp() + write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, volume in press,' + write(6,'(/,a)') ' chapter Spectral Solvers for Crystal Plasticity and Multi-Physics Simulations. Springer, 2018' + write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" endif mainProcess diff --git a/src/spectral_utilities.f90 b/src/spectral_utilities.f90 index e3383f3d1..4289d7829 100644 --- a/src/spectral_utilities.f90 +++ b/src/spectral_utilities.f90 @@ -215,7 +215,9 @@ subroutine utilities_init() vecSize = 3_C_INTPTR_T, & tensorSize = 9_C_INTPTR_T - write(6,'(/,a)') ' <<<+- spectral_utilities init -+>>>' + write(6,'(/,a)') ' <<<+- spectral_utilities init -+>>>' + write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity, 46:37–53, 2013' + write(6,'(/,a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90"