diff --git a/code/constitutive.f90 b/code/constitutive.f90 index 02d82a28a..6471ce784 100644 --- a/code/constitutive.f90 +++ b/code/constitutive.f90 @@ -49,7 +49,7 @@ subroutine constitutive_init() use material use constitutive_j2 use constitutive_phenopowerlaw - use constitutive_dislobased + use constitutive_dislotwin use constitutive_nonlocal integer(pInt), parameter :: fileunit = 200 @@ -62,7 +62,7 @@ subroutine constitutive_init() call constitutive_j2_init(fileunit) ! parse all phases of this constitution call constitutive_phenopowerlaw_init(fileunit) - call constitutive_dislobased_init(fileunit) + call constitutive_dislotwin_init(fileunit) call constitutive_nonlocal_init(fileunit) close(fileunit) @@ -81,9 +81,9 @@ subroutine constitutive_init() case (constitutive_phenopowerlaw_label) thisOutput => constitutive_phenopowerlaw_output thisSize => constitutive_phenopowerlaw_sizePostResult - case (constitutive_dislobased_label) - thisOutput => constitutive_dislobased_output - thisSize => constitutive_dislobased_sizePostResult + case (constitutive_dislotwin_label) + thisOutput => constitutive_dislotwin_output + thisSize => constitutive_dislotwin_sizePostResult case (constitutive_nonlocal_label) thisOutput => constitutive_nonlocal_output thisSize => constitutive_nonlocal_sizePostResult @@ -150,18 +150,18 @@ subroutine constitutive_init() constitutive_sizeDotState(g,i,e) = constitutive_phenopowerlaw_sizeDotState(myInstance) constitutive_sizePostResults(g,i,e) = constitutive_phenopowerlaw_sizePostResults(myInstance) - case (constitutive_dislobased_label) - allocate(constitutive_state0(g,i,e)%p(constitutive_dislobased_sizeState(myInstance))) - allocate(constitutive_partionedState0(g,i,e)%p(constitutive_dislobased_sizeState(myInstance))) - allocate(constitutive_subState0(g,i,e)%p(constitutive_dislobased_sizeState(myInstance))) - allocate(constitutive_state(g,i,e)%p(constitutive_dislobased_sizeState(myInstance))) - allocate(constitutive_relevantState(g,i,e)%p(constitutive_dislobased_sizeState(myInstance))) - allocate(constitutive_dotState(g,i,e)%p(constitutive_dislobased_sizeDotState(myInstance))) - constitutive_state0(g,i,e)%p = constitutive_dislobased_stateInit(myInstance) - constitutive_relevantState(g,i,e)%p = constitutive_dislobased_relevantState(myInstance) - constitutive_sizeState(g,i,e) = constitutive_dislobased_sizeState(myInstance) - constitutive_sizeDotState(g,i,e) = constitutive_dislobased_sizeDotState(myInstance) - constitutive_sizePostResults(g,i,e) = constitutive_dislobased_sizePostResults(myInstance) + case (constitutive_dislotwin_label) + allocate(constitutive_state0(g,i,e)%p(constitutive_dislotwin_sizeState(myInstance))) + allocate(constitutive_partionedState0(g,i,e)%p(constitutive_dislotwin_sizeState(myInstance))) + allocate(constitutive_subState0(g,i,e)%p(constitutive_dislotwin_sizeState(myInstance))) + allocate(constitutive_state(g,i,e)%p(constitutive_dislotwin_sizeState(myInstance))) + allocate(constitutive_relevantState(g,i,e)%p(constitutive_dislotwin_sizeState(myInstance))) + allocate(constitutive_dotState(g,i,e)%p(constitutive_dislotwin_sizeDotState(myInstance))) + constitutive_state0(g,i,e)%p = constitutive_dislotwin_stateInit(myInstance) + constitutive_relevantState(g,i,e)%p = constitutive_dislotwin_relevantState(myInstance) + constitutive_sizeState(g,i,e) = constitutive_dislotwin_sizeState(myInstance) + constitutive_sizeDotState(g,i,e) = constitutive_dislotwin_sizeDotState(myInstance) + constitutive_sizePostResults(g,i,e) = constitutive_dislotwin_sizePostResults(myInstance) case (constitutive_nonlocal_label) allocate(constitutive_state0(g,i,e)%p(constitutive_nonlocal_sizeState(myInstance))) @@ -224,7 +224,7 @@ function constitutive_homogenizedC(ipc,ip,el) use material, only: phase_constitution,material_phase use constitutive_j2 use constitutive_phenopowerlaw - use constitutive_dislobased + use constitutive_dislotwin use constitutive_nonlocal implicit none @@ -240,8 +240,8 @@ function constitutive_homogenizedC(ipc,ip,el) case (constitutive_phenopowerlaw_label) constitutive_homogenizedC = constitutive_phenopowerlaw_homogenizedC(constitutive_state,ipc,ip,el) - case (constitutive_dislobased_label) - constitutive_homogenizedC = constitutive_dislobased_homogenizedC(constitutive_state,ipc,ip,el) + case (constitutive_dislotwin_label) + constitutive_homogenizedC = constitutive_dislotwin_homogenizedC(constitutive_state,ipc,ip,el) case (constitutive_nonlocal_label) constitutive_homogenizedC = constitutive_nonlocal_homogenizedC(constitutive_state,ipc,ip,el) @@ -270,7 +270,7 @@ subroutine constitutive_microstructure(Temperature,Fp,ipc,ip,el) mesh_maxNips use constitutive_j2 use constitutive_phenopowerlaw - use constitutive_dislobased + use constitutive_dislotwin use constitutive_nonlocal implicit none @@ -287,8 +287,8 @@ real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) case (constitutive_phenopowerlaw_label) call constitutive_phenopowerlaw_microstructure(Temperature,constitutive_state,ipc,ip,el) - case (constitutive_dislobased_label) - call constitutive_dislobased_microstructure(Temperature,constitutive_state,ipc,ip,el) + case (constitutive_dislotwin_label) + call constitutive_dislotwin_microstructure(Temperature,constitutive_state,ipc,ip,el) case (constitutive_nonlocal_label) call constitutive_nonlocal_microstructure(Temperature, Fp, constitutive_state,ipc,ip,el) @@ -315,7 +315,7 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar, Tstar_v, Temperature, ip use material, only: phase_constitution,material_phase use constitutive_j2 use constitutive_phenopowerlaw - use constitutive_dislobased + use constitutive_dislotwin use constitutive_nonlocal implicit none @@ -334,8 +334,8 @@ subroutine constitutive_LpAndItsTangent(Lp, dLp_dTstar, Tstar_v, Temperature, ip case (constitutive_phenopowerlaw_label) call constitutive_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperature,constitutive_state,ipc,ip,el) - case (constitutive_dislobased_label) - call constitutive_dislobased_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperature,constitutive_state,ipc,ip,el) + case (constitutive_dislotwin_label) + call constitutive_dislotwin_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperature,constitutive_state,ipc,ip,el) case (constitutive_nonlocal_label) call constitutive_nonlocal_LpAndItsTangent(Lp, dLp_dTstar, Tstar_v, Temperature, constitutive_state, ipc, ip, el) @@ -364,7 +364,7 @@ subroutine constitutive_collectDotState(Tstar_v, subTstar0_v, Fp, invFp, Tempera use material, only: phase_constitution,material_phase use constitutive_j2 use constitutive_phenopowerlaw - use constitutive_dislobased + use constitutive_dislotwin use constitutive_nonlocal implicit none @@ -382,8 +382,8 @@ subroutine constitutive_collectDotState(Tstar_v, subTstar0_v, Fp, invFp, Tempera case (constitutive_phenopowerlaw_label) constitutive_dotState(ipc,ip,el)%p = constitutive_phenopowerlaw_dotState(Tstar_v,Temperature,constitutive_state,ipc,ip,el) - case (constitutive_dislobased_label) - constitutive_dotState(ipc,ip,el)%p = constitutive_dislobased_dotState(Tstar_v,Temperature,constitutive_state,ipc,ip,el) + case (constitutive_dislotwin_label) + constitutive_dotState(ipc,ip,el)%p = constitutive_dislotwin_dotState(Tstar_v,Temperature,constitutive_state,ipc,ip,el) case (constitutive_nonlocal_label) call constitutive_nonlocal_dotState(constitutive_dotState, Tstar_v, subTstar0_v, Fp, invFp, Temperature, subdt, & @@ -411,7 +411,7 @@ function constitutive_dotTemperature(Tstar_v,Temperature,ipc,ip,el) use material, only: phase_constitution,material_phase use constitutive_j2 use constitutive_phenopowerlaw - use constitutive_dislobased + use constitutive_dislotwin use constitutive_nonlocal implicit none @@ -429,8 +429,8 @@ function constitutive_dotTemperature(Tstar_v,Temperature,ipc,ip,el) case (constitutive_phenopowerlaw_label) constitutive_dotTemperature = constitutive_phenopowerlaw_dotTemperature(Tstar_v,Temperature,constitutive_state,ipc,ip,el) - case (constitutive_dislobased_label) - constitutive_dotTemperature = constitutive_dislobased_dotTemperature(Tstar_v,Temperature,constitutive_state,ipc,ip,el) + case (constitutive_dislotwin_label) + constitutive_dotTemperature = constitutive_dislotwin_dotTemperature(Tstar_v,Temperature,constitutive_state,ipc,ip,el) case (constitutive_nonlocal_label) constitutive_dotTemperature = constitutive_nonlocal_dotTemperature(Tstar_v,Temperature,constitutive_state,ipc,ip,el) @@ -454,7 +454,7 @@ pure function constitutive_postResults(Tstar_v,Temperature,dt,ipc,ip,el) use material, only: phase_constitution,material_phase use constitutive_j2 use constitutive_phenopowerlaw - use constitutive_dislobased + use constitutive_dislotwin use constitutive_nonlocal implicit none @@ -473,8 +473,8 @@ pure function constitutive_postResults(Tstar_v,Temperature,dt,ipc,ip,el) case (constitutive_phenopowerlaw_label) constitutive_postResults = constitutive_phenopowerlaw_postResults(Tstar_v,Temperature,dt,constitutive_state,ipc,ip,el) - case (constitutive_dislobased_label) - constitutive_postResults = constitutive_dislobased_postResults(Tstar_v,Temperature,dt,constitutive_state,ipc,ip,el) + case (constitutive_dislotwin_label) + constitutive_postResults = constitutive_dislotwin_postResults(Tstar_v,Temperature,dt,constitutive_state,ipc,ip,el) case (constitutive_nonlocal_label) constitutive_postResults = constitutive_nonlocal_postResults(Tstar_v,Temperature,dt,constitutive_state,ipc,ip,el) diff --git a/code/constitutive_dislobased.f90 b/code/constitutive_dislobased.f90 deleted file mode 100644 index c406fa4ed..000000000 --- a/code/constitutive_dislobased.f90 +++ /dev/null @@ -1,1108 +0,0 @@ -!* $Id$ -!************************************ -!* Module: CONSTITUTIVE * -!************************************ -!* contains: * -!* - constitutive equations * -!* - parameters definition * -!* - orientations * -!************************************ - -! [TWIP steel FeMnC] - -! C11 175.0e9 # elastic constants in Pa -! C12 115.0e9 -! C44 135.0e9 -! lattice_structure fcc -! Nslip 12 -! Ntwin 12 -! constitution dislobased -! (output) dislocationdensity -! (output) shearrate_slip -! (output) mfp_slip # mean free path -! (output) resolvedstress_slip -! (output) resistance_slip # passing stress -! (output) volumefraction -! (output) shearrate_twin -! (output) mfp_twin # mean free path -! (output) resolvedstress_twin -! (output) resistance_twin # "nucleation barrier" - -! ### dislocation density-based constitutive parameters ### -! burgers 2.56e-10 # Burgers vector [m] -! Qedge 5.5e-19 # Activation energy for dislocation glide [J/K] (0.5*G*b^3) -! grainsize 2.0e-5 # Average grain size [m] -! stacksize 5.0e-8 # Twin stack mean thickness [m] -! interaction_slipslip 1.0 2.2 3.0 1.6 3.8 4.5 # Dislocation interaction coefficients -! interaction_sliptwin 0.0 1.0 # Dislocation interaction coefficients -! interaction_twintwin 0.0 1.0 # Dislocation interaction coefficients -! # dislocation glide -! rho0 2.5e12 # Initial dislocation density [m/m³] -! Cmfpslip 1.0 # Adjustable parameter controlling dislocation mean free path -! Cactivolume 1.0 # Adjustable parameter controlling activation volume -! Cthresholdslip 0.1 # Adjustable parameter controlling threshold stress for dislocation motion -! Cstorage 0.02 # Adjustable parameter controlling dislocation storage -! Carecovery 15.0 # Adjustable parameter controlling athermal recovery -! # mechanical twinning -! Ndot0 0.0 # Number of potential twin source per volume per time [1/m³.s] -! fmax 1.0 # Maximum admissible twin volume fraction -! Cmfptwin 1.0 # Adjustable parameter controlling twin mean free path -! Cthresholdtwin 1.0 # Adjustable parameter controlling threshold stress for deformation twinning - - -MODULE constitutive_dislobased - -!*** Include other modules *** - use prec, only: pReal,pInt - implicit none - - character (len=*), parameter :: constitutive_dislobased_label = 'dislobased' - - integer(pInt), dimension(:), allocatable :: constitutive_dislobased_sizeDotState, & - constitutive_dislobased_sizeState, & - constitutive_dislobased_sizePostResults - integer(pInt), dimension(:,:), allocatable,target :: constitutive_dislobased_sizePostResult - character(len=64), dimension(:,:), allocatable,target :: constitutive_dislobased_output - - character(len=32), dimension(:), allocatable :: constitutive_dislobased_structureName - integer(pInt), dimension(:), allocatable :: constitutive_dislobased_structure, & - constitutive_dislobased_totalNslip, & - constitutive_dislobased_totalNtwin - integer(pInt), dimension(:,:), allocatable :: constitutive_dislobased_Nslip, & - constitutive_dislobased_Ntwin, & - constitutive_dislobased_slipFamily, & - constitutive_dislobased_twinFamily - - real(pReal), dimension(:), allocatable :: constitutive_dislobased_CoverA, & - constitutive_dislobased_C11, & - constitutive_dislobased_C12, & - constitutive_dislobased_C13, & - constitutive_dislobased_C33, & - constitutive_dislobased_C44, & - constitutive_dislobased_Gmod - real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_Cslip_66 - real(pReal), dimension(:,:,:,:), allocatable :: constitutive_dislobased_Ctwin_66 - real(pReal), dimension(:,:,:,:,:), allocatable :: constitutive_dislobased_Cslip_3333 - real(pReal), dimension(:,:,:,:,:,:), allocatable :: constitutive_dislobased_Ctwin_3333 - real(pReal), dimension(:,:), allocatable :: constitutive_dislobased_rho0, & - constitutive_dislobased_Burgers, & - constitutive_dislobased_Qedge, & - constitutive_dislobased_stacksize, & - constitutive_dislobased_Ndot0, & - - constitutive_dislobased_interaction_slipslip, & - constitutive_dislobased_interaction_sliptwin, & - constitutive_dislobased_interaction_twinslip, & - constitutive_dislobased_interaction_twintwin - real(pReal), dimension(:), allocatable :: constitutive_dislobased_grainsize, & - constitutive_dislobased_fmax, & - constitutive_dislobased_Cmfpslip, & - constitutive_dislobased_Cmfptwin, & - constitutive_dislobased_Cthresholdslip, & - constitutive_dislobased_Cthresholdtwin, & - constitutive_dislobased_Cactivolume, & - constitutive_dislobased_Carecovery, & - constitutive_dislobased_Cstorage - - - real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_parall_interaction, & - constitutive_dislobased_forest_interaction, & - constitutive_dislobased_hardeningMatrix_sliptwin, & - constitutive_dislobased_hardeningMatrix_twinslip, & - constitutive_dislobased_hardeningMatrix_twintwin - -!************************************* -!* Definition of material properties * -!************************************* -!* Physical parameter, attack_frequency != Debye frequency -real(pReal), parameter :: attack_frequency = 1.0e10_pReal -!* Physical parameter, Boltzmann constant in J/Kelvin -real(pReal), parameter :: kB = 1.38e-23_pReal -!* Physical parameter, Avogadro number in 1/mol -real(pReal), parameter :: avogadro = 6.022e23_pReal -!* Physical parameter, Gas constant in J.mol/Kelvin -real(pReal), parameter :: Rgas = 8.314_pReal - -CONTAINS -!**************************************** -!* - constitutive_init -!* - constitutive_stateInit -!* - constitutive_homogenizedC -!* - constitutive_microstructure -!* - constitutive_LpAndItsTangent -!* - consistutive_dotState -!* - constitutive_dotTemperature -!* - consistutive_postResults -!**************************************** - - -subroutine constitutive_dislobased_init(file) -!************************************** -!* Module initialization * -!************************************** - use prec, only: pInt,pReal - use math, only: math_Mandel3333to66,math_Voigt66to3333,math_mul3x3 - use IO - use material - use lattice - - integer(pInt), intent(in) :: file - integer(pInt), parameter :: maxNchunks = 21 - integer(pInt), dimension(1+2*maxNchunks) :: positions - integer(pInt) section,maxNinstance,i,j,k,l,m,n,o,p,q,r,s,output,mySize - character(len=64) tag - character(len=1024) line - real(pReal) x,y - - write(6,*) - write(6,'(a20,a20,a12)') '<<<+- constitutive_',constitutive_dislobased_label,' init -+>>>' - write(6,*) '$Id$' - write(6,*) - - maxNinstance = count(phase_constitution == constitutive_dislobased_label) - if (maxNinstance == 0) return - - allocate(constitutive_dislobased_sizeDotState(maxNinstance)) ; constitutive_dislobased_sizeDotState = 0_pInt - allocate(constitutive_dislobased_sizeState(maxNinstance)) ; constitutive_dislobased_sizeState = 0_pInt - allocate(constitutive_dislobased_sizePostResults(maxNinstance)) ; constitutive_dislobased_sizePostResults = 0_pInt - allocate(constitutive_dislobased_sizePostResult(maxval(phase_Noutput), & - maxNinstance)) ; constitutive_dislobased_sizePostResult = 0_pInt - allocate(constitutive_dislobased_output(maxval(phase_Noutput), & - maxNinstance)) ; constitutive_dislobased_output = '' - - allocate(constitutive_dislobased_structureName(maxNinstance)) ; constitutive_dislobased_structureName = '' - allocate(constitutive_dislobased_structure(maxNinstance)) ; constitutive_dislobased_structure = 0_pInt - allocate(constitutive_dislobased_Nslip(lattice_maxNslipFamily,& - maxNinstance)) ; constitutive_dislobased_Nslip = 0_pInt - allocate(constitutive_dislobased_Ntwin(lattice_maxNtwinFamily,& - maxNinstance)) ; constitutive_dislobased_Ntwin = 0_pInt - - allocate(constitutive_dislobased_slipFamily(lattice_maxNslip,& - maxNinstance)) ; constitutive_dislobased_slipFamily = 0_pInt - allocate(constitutive_dislobased_twinFamily(lattice_maxNtwin,& - maxNinstance)) ; constitutive_dislobased_twinFamily = 0_pInt - - allocate(constitutive_dislobased_totalNslip(maxNinstance)) ; constitutive_dislobased_totalNslip = 0_pInt - allocate(constitutive_dislobased_totalNtwin(maxNinstance)) ; constitutive_dislobased_totalNtwin = 0_pInt - - allocate(constitutive_dislobased_CoverA(maxNinstance)) ; constitutive_dislobased_CoverA = 0.0_pReal - allocate(constitutive_dislobased_C11(maxNinstance)) ; constitutive_dislobased_C11 = 0.0_pReal - allocate(constitutive_dislobased_C12(maxNinstance)) ; constitutive_dislobased_C12 = 0.0_pReal - allocate(constitutive_dislobased_C13(maxNinstance)) ; constitutive_dislobased_C13 = 0.0_pReal - allocate(constitutive_dislobased_C33(maxNinstance)) ; constitutive_dislobased_C33 = 0.0_pReal - allocate(constitutive_dislobased_C44(maxNinstance)) ; constitutive_dislobased_C44 = 0.0_pReal - allocate(constitutive_dislobased_Gmod(maxNinstance)) ; constitutive_dislobased_Gmod = 0.0_pReal - allocate(constitutive_dislobased_Cslip_66(6,6,maxNinstance)) ; constitutive_dislobased_Cslip_66 = 0.0_pReal - allocate(constitutive_dislobased_Cslip_3333(3,3,3,3,maxNinstance)) ; constitutive_dislobased_Cslip_3333 = 0.0_pReal - - allocate(constitutive_dislobased_rho0(lattice_maxNslipFamily, & - maxNinstance)) ; constitutive_dislobased_rho0 = 0.0_pReal - allocate(constitutive_dislobased_Burgers(lattice_maxNslipFamily, & - maxNinstance)) ; constitutive_dislobased_Burgers = 0.0_pReal - allocate(constitutive_dislobased_Qedge(lattice_maxNslipFamily, & - maxNinstance)) ; constitutive_dislobased_Qedge = 0.0_pReal - allocate(constitutive_dislobased_grainsize(maxNinstance)) ; constitutive_dislobased_grainsize = 0.0_pReal - allocate(constitutive_dislobased_stacksize(lattice_maxNtwinFamily, & - maxNinstance)) ; constitutive_dislobased_stacksize = 0.0_pReal - allocate(constitutive_dislobased_fmax(maxNinstance)) ; constitutive_dislobased_fmax = 0.0_pReal - allocate(constitutive_dislobased_Ndot0(lattice_maxNtwinFamily, & - maxNinstance)) ; constitutive_dislobased_Ndot0 = 0.0_pReal - allocate(constitutive_dislobased_Cmfpslip(maxNinstance)) ; constitutive_dislobased_Cmfpslip = 0.0_pReal - allocate(constitutive_dislobased_Cmfptwin(maxNinstance)) ; constitutive_dislobased_Cmfptwin = 0.0_pReal - allocate(constitutive_dislobased_Cthresholdslip(maxNinstance)) ; constitutive_dislobased_Cthresholdslip = 0.0_pReal - allocate(constitutive_dislobased_Cthresholdtwin(maxNinstance)) ; constitutive_dislobased_Cthresholdtwin = 0.0_pReal - allocate(constitutive_dislobased_Cactivolume(maxNinstance)) ; constitutive_dislobased_Cactivolume = 0.0_pReal - allocate(constitutive_dislobased_Carecovery(maxNinstance)) ; constitutive_dislobased_Carecovery = 0.0_pReal - allocate(constitutive_dislobased_Cstorage(maxNinstance)) ; constitutive_dislobased_Cstorage = 0.0_pReal - - allocate(constitutive_dislobased_interaction_slipslip(lattice_maxNinteraction,& - maxNinstance)) ; constitutive_dislobased_interaction_slipslip = 0.0_pReal - allocate(constitutive_dislobased_interaction_sliptwin(lattice_maxNinteraction,& - maxNinstance)) ; constitutive_dislobased_interaction_sliptwin = 0.0_pReal - allocate(constitutive_dislobased_interaction_twinslip(lattice_maxNinteraction,& - maxNinstance)) ; constitutive_dislobased_interaction_twinslip = 0.0_pReal - allocate(constitutive_dislobased_interaction_twintwin(lattice_maxNinteraction,& - maxNinstance)) ; constitutive_dislobased_interaction_twintwin = 0.0_pReal - - rewind(file) - line = '' - section = 0 - - do while (IO_lc(IO_getTag(line,'<','>')) /= 'phase') ! wind forward to - read(file,'(a1024)',END=100) line - enddo - - do ! read thru sections of phase part - read(file,'(a1024)',END=100) line - if (IO_isBlank(line)) cycle ! skip empty lines - if (IO_getTag(line,'<','>') /= '') exit ! stop at next part - if (IO_getTag(line,'[',']') /= '') then ! next section - section = section + 1 - output = 0 ! reset output counter - endif - if (section > 0 .and. phase_constitution(section) == constitutive_dislobased_label) then ! one of my sections - i = phase_constitutionInstance(section) ! which instance of my constitution is present phase - positions = IO_stringPos(line,maxNchunks) - tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key - select case(tag) - case ('(output)') - output = output + 1 - constitutive_dislobased_output(output,i) = IO_lc(IO_stringValue(line,positions,2)) - case ('lattice_structure') - constitutive_dislobased_structureName(i) = IO_lc(IO_stringValue(line,positions,2)) - case ('covera_ratio') - constitutive_dislobased_CoverA(i) = IO_floatValue(line,positions,2) - case ('c11') - constitutive_dislobased_C11(i) = IO_floatValue(line,positions,2) - case ('c12') - constitutive_dislobased_C12(i) = IO_floatValue(line,positions,2) - case ('c13') - constitutive_dislobased_C13(i) = IO_floatValue(line,positions,2) - case ('c33') - constitutive_dislobased_C33(i) = IO_floatValue(line,positions,2) - case ('c44') - constitutive_dislobased_C44(i) = IO_floatValue(line,positions,2) - case ('nslip') - forall (j = 1:lattice_maxNslipFamily) constitutive_dislobased_Nslip(j,i) = IO_intValue(line,positions,1+j) - case ('ntwin') - forall (j = 1:lattice_maxNtwinFamily) constitutive_dislobased_Ntwin(j,i) = IO_intValue(line,positions,1+j) - case ('rho0') - forall (j = 1:lattice_maxNslipFamily) constitutive_dislobased_rho0(j,i) = IO_floatValue(line,positions,1+j) - case ('burgers') - forall (j = 1:lattice_maxNslipFamily) constitutive_dislobased_Burgers(j,i) = IO_floatValue(line,positions,1+j) - case ('qedge') - forall (j = 1:lattice_maxNslipFamily) constitutive_dislobased_Qedge(j,i) = IO_floatValue(line,positions,1+j) - case ('grainsize') - constitutive_dislobased_grainsize(i) = IO_floatValue(line,positions,2) - case ('stacksize') - forall (j = 1:lattice_maxNtwinFamily) constitutive_dislobased_stacksize(j,i) = IO_floatValue(line,positions,1+j) - case ('fmax') - constitutive_dislobased_fmax(i) = IO_floatValue(line,positions,2) - case ('ndot0') - forall (j = 1:lattice_maxNtwinFamily) constitutive_dislobased_Ndot0(j,i) = IO_floatValue(line,positions,1+j) - case ('cmfpslip') - constitutive_dislobased_Cmfpslip(i) = IO_floatValue(line,positions,2) - case ('cmfptwin') - constitutive_dislobased_Cmfptwin(i) = IO_floatValue(line,positions,2) - case ('cthresholdslip') - constitutive_dislobased_Cthresholdslip(i) = IO_floatValue(line,positions,2) - case ('cthresholdtwin') - constitutive_dislobased_Cthresholdtwin(i) = IO_floatValue(line,positions,2) - case ('cactivolume') - constitutive_dislobased_Cactivolume(i) = IO_floatValue(line,positions,2) - case ('carecovery') - constitutive_dislobased_Carecovery(i) = IO_floatValue(line,positions,2) - case ('cstorage') - constitutive_dislobased_Cstorage(i) = IO_floatValue(line,positions,2) - case ('interaction_slipslip') - forall (j = 1:lattice_maxNinteraction) & - constitutive_dislobased_interaction_slipslip(j,i) = IO_floatValue(line,positions,1+j) - case ('interaction_sliptwin') - forall (j = 1:lattice_maxNinteraction) & - constitutive_dislobased_interaction_sliptwin(j,i) = IO_floatValue(line,positions,1+j) - case ('interaction_twinslip') - forall (j = 1:lattice_maxNinteraction) & - constitutive_dislobased_interaction_twinslip(j,i) = IO_floatValue(line,positions,1+j) - case ('interaction_twintwin') - forall (j = 1:lattice_maxNinteraction) & - constitutive_dislobased_interaction_twintwin(j,i) = IO_floatValue(line,positions,1+j) - end select - endif - enddo - - -100 do i = 1,maxNinstance - constitutive_dislobased_structure(i) = lattice_initializeStructure(constitutive_dislobased_structureName(i), & - constitutive_dislobased_CoverA(i)) - constitutive_dislobased_Nslip(:,i) = min(lattice_NslipSystem(:,constitutive_dislobased_structure(i)),& - constitutive_dislobased_Nslip(:,i)) - constitutive_dislobased_Ntwin(:,i) = min(lattice_NtwinSystem(:,constitutive_dislobased_structure(i)),& - constitutive_dislobased_Ntwin(:,i)) - constitutive_dislobased_totalNslip(i) = sum(constitutive_dislobased_Nslip(:,i)) - constitutive_dislobased_totalNtwin(i) = sum(constitutive_dislobased_Ntwin(:,i)) - -! sanity checks (still under construction) - if (constitutive_dislobased_structure(i) < 1 .or. & ! sanity checks - constitutive_dislobased_structure(i) > 3) call IO_error(205) - if (any(constitutive_dislobased_rho0(:,i) < 0.0_pReal)) call IO_error(220) - if (any(constitutive_dislobased_Burgers(:,i) <= 0.0_pReal .and. & - constitutive_dislobased_Nslip(:,i) > 0)) call IO_error(221) - if (any(constitutive_dislobased_Qedge(:,i) <= 0.0_pReal .and. & - constitutive_dislobased_Nslip(:,i) > 0)) call IO_error(222) - enddo - - allocate(constitutive_dislobased_parall_interaction(maxval(constitutive_dislobased_totalNslip),& - maxval(constitutive_dislobased_totalNslip),& - maxNinstance)) - allocate(constitutive_dislobased_forest_interaction(maxval(constitutive_dislobased_totalNslip),& - maxval(constitutive_dislobased_totalNslip),& - maxNinstance)) - allocate(constitutive_dislobased_hardeningMatrix_sliptwin(maxval(constitutive_dislobased_totalNslip),& - maxval(constitutive_dislobased_totalNtwin),& - maxNinstance)) - allocate(constitutive_dislobased_hardeningMatrix_twinslip(maxval(constitutive_dislobased_totalNtwin),& - maxval(constitutive_dislobased_totalNslip),& - maxNinstance)) - allocate(constitutive_dislobased_hardeningMatrix_twintwin(maxval(constitutive_dislobased_totalNtwin),& - maxval(constitutive_dislobased_totalNtwin),& - maxNinstance)) - constitutive_dislobased_parall_interaction = 0.0_pReal - constitutive_dislobased_forest_interaction = 0.0_pReal - constitutive_dislobased_hardeningMatrix_sliptwin = 0.0_pReal - constitutive_dislobased_hardeningMatrix_twinslip = 0.0_pReal - constitutive_dislobased_hardeningMatrix_twintwin = 0.0_pReal - - allocate(constitutive_dislobased_Ctwin_66(6,6,maxval(constitutive_dislobased_totalNtwin),maxNinstance)) - constitutive_dislobased_Ctwin_66 = 0.0_pReal - - allocate(constitutive_dislobased_Ctwin_3333(3,3,3,3,maxval(constitutive_dislobased_totalNtwin),maxNinstance)) - constitutive_dislobased_Ctwin_3333 = 0.0_pReal - - do i = 1,maxNinstance - do j = 1,maxval(phase_Noutput) - select case(constitutive_dislobased_output(j,i)) - case('dislocationdensity', & - 'shearrate_slip', & - 'mfp_slip', & - 'resolvedstress_slip', & - 'resistance_slip' & - ) - mySize = constitutive_dislobased_totalNslip(i) - case('volumefraction', & - 'shearrate_twin', & - 'mfp_twin', & - 'resolvedstress_twin', & - 'resistance_twin' & - ) - mySize = constitutive_dislobased_totalNtwin(i) - case default - mySize = 0_pInt - end select - - if (mySize > 0_pInt) then ! any meaningful output found - constitutive_dislobased_sizePostResult(j,i) = mySize - constitutive_dislobased_sizePostResults(i) = constitutive_dislobased_sizePostResults(i) + mySize - endif - enddo - - constitutive_dislobased_sizeDotState(i) = constitutive_dislobased_totalNslip(i) + constitutive_dislobased_totalNtwin(i) - constitutive_dislobased_sizeState(i) = 10*constitutive_dislobased_totalNslip(i) + 5*constitutive_dislobased_totalNtwin(i) - - constitutive_dislobased_Gmod(i) = constitutive_dislobased_C44(i) - - select case (constitutive_dislobased_structure(i)) - case(1:2) ! cubic(s) - forall(k=1:3) - forall(j=1:3) & - constitutive_dislobased_Cslip_66(k,j,i) = constitutive_dislobased_C12(i) - constitutive_dislobased_Cslip_66(k,k,i) = constitutive_dislobased_C11(i) - constitutive_dislobased_Cslip_66(k+3,k+3,i) = constitutive_dislobased_C44(i) - end forall - case(3:) ! all hex - constitutive_dislobased_Cslip_66(1,1,i) = constitutive_dislobased_C11(i) - constitutive_dislobased_Cslip_66(2,2,i) = constitutive_dislobased_C11(i) - constitutive_dislobased_Cslip_66(3,3,i) = constitutive_dislobased_C33(i) - constitutive_dislobased_Cslip_66(1,2,i) = constitutive_dislobased_C12(i) - constitutive_dislobased_Cslip_66(2,1,i) = constitutive_dislobased_C12(i) - constitutive_dislobased_Cslip_66(1,3,i) = constitutive_dislobased_C13(i) - constitutive_dislobased_Cslip_66(3,1,i) = constitutive_dislobased_C13(i) - constitutive_dislobased_Cslip_66(2,3,i) = constitutive_dislobased_C13(i) - constitutive_dislobased_Cslip_66(3,2,i) = constitutive_dislobased_C13(i) - constitutive_dislobased_Cslip_66(4,4,i) = constitutive_dislobased_C44(i) - constitutive_dislobased_Cslip_66(5,5,i) = constitutive_dislobased_C44(i) - constitutive_dislobased_Cslip_66(6,6,i) = 0.5_pReal*(constitutive_dislobased_C11(i)- & - constitutive_dislobased_C12(i)) - end select - constitutive_dislobased_Cslip_66(:,:,i) = math_Mandel3333to66(math_Voigt66to3333(constitutive_dislobased_Cslip_66(:,:,i))) - constitutive_dislobased_Cslip_3333(:,:,:,:,i) = math_Voigt66to3333(constitutive_dislobased_Cslip_66(:,:,i)) - - !* Inverse lookup of my slip system family - l = 0_pInt - do j = 1,lattice_maxNslipFamily - do k = 1,constitutive_dislobased_Nslip(j,i) - l = l + 1 - constitutive_dislobased_slipFamily(l,i) = j - enddo; enddo - - !* Inverse lookup of my twin system family - l = 0_pInt - do j = 1,lattice_maxNtwinFamily - do k = 1,constitutive_dislobased_Ntwin(j,i) - l = l + 1 - constitutive_dislobased_twinFamily(l,i) = j - enddo; enddo - - !* Construction of the twin elasticity matrices - do j=1,lattice_maxNtwinFamily - do k=1,constitutive_dislobased_Ntwin(j,i) - do l=1,3 ; do m=1,3 ; do n=1,3 ; do o=1,3 ; do p=1,3 ; do q=1,3 ; do r=1,3 ; do s=1,3 - constitutive_dislobased_Ctwin_3333(l,m,n,o,sum(constitutive_dislobased_Nslip(1:j-1,i))+k,i) = & - constitutive_dislobased_Ctwin_3333(l,m,n,o,sum(constitutive_dislobased_Nslip(1:j-1,i))+k,i) + & - constitutive_dislobased_Cslip_3333(p,q,r,s,i)*& - lattice_Qtwin(l,p,sum(lattice_NslipSystem(1:j-1,constitutive_dislobased_structure(i)))+k,constitutive_dislobased_structure(i))* & - lattice_Qtwin(m,q,sum(lattice_NslipSystem(1:j-1,constitutive_dislobased_structure(i)))+k,constitutive_dislobased_structure(i))* & - lattice_Qtwin(n,r,sum(lattice_NslipSystem(1:j-1,constitutive_dislobased_structure(i)))+k,constitutive_dislobased_structure(i))* & - lattice_Qtwin(o,s,sum(lattice_NslipSystem(1:j-1,constitutive_dislobased_structure(i)))+k,constitutive_dislobased_structure(i)) - enddo ; enddo ; enddo ; enddo ; enddo ; enddo ; enddo ; enddo - constitutive_dislobased_Ctwin_66(:,:,k,i) = math_Mandel3333to66(constitutive_dislobased_Ctwin_3333(:,:,:,:,k,i)) - enddo - enddo - - !* Construction of the hardening matrices - !* Iteration over the systems - do j=1,lattice_maxNslipFamily - do k=1,constitutive_dislobased_Nslip(j,i) - do l=1,lattice_maxNslipFamily - do m=1,constitutive_dislobased_Nslip(l,i) - !* Projection of the dislocation * - x = math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:j-1,constitutive_dislobased_structure(i)))+k, & - constitutive_dislobased_structure(i)), & - lattice_st(:,sum(lattice_NslipSystem(1:l-1,constitutive_dislobased_structure(i)))+m, & - constitutive_dislobased_structure(i))) - y = 1.0_pReal-x**(2.0_pReal) - !* Interaction matrix * - constitutive_dislobased_forest_interaction(sum(constitutive_dislobased_Nslip(1:j-1,i))+k, & - sum(constitutive_dislobased_Nslip(1:l-1,i))+m,i) = & - abs(x)*constitutive_dislobased_interaction_slipslip(lattice_interactionSlipSlip( & - sum(lattice_NslipSystem(1:j-1,constitutive_dislobased_structure(i)))+k, & - sum(lattice_NslipSystem(1:l-1,constitutive_dislobased_structure(i)))+m, & - constitutive_dislobased_structure(i)),i) - if (y>0.0_pReal) & - constitutive_dislobased_parall_interaction(sum(constitutive_dislobased_Nslip(1:j-1,i))+k, & - sum(constitutive_dislobased_Nslip(1:l-1,i))+m,i) = & - sqrt(y)*constitutive_dislobased_interaction_slipslip(lattice_interactionSlipSlip( & - sum(lattice_NslipSystem(1:j-1,constitutive_dislobased_structure(i)))+k, & - sum(lattice_NslipSystem(1:l-1,constitutive_dislobased_structure(i)))+m, & - constitutive_dislobased_structure(i)),i) - enddo; enddo; enddo; enddo - - do j=1,lattice_maxNslipFamily - do k=1,constitutive_dislobased_Nslip(j,i) - do l=1,lattice_maxNtwinFamily - do m=1,constitutive_dislobased_Ntwin(l,i) - constitutive_dislobased_hardeningMatrix_sliptwin(sum(constitutive_dislobased_Nslip(1:j-1,i))+k,& - sum(constitutive_dislobased_Ntwin(1:l-1,i))+m,i) = & - constitutive_dislobased_interaction_sliptwin(lattice_interactionSlipTwin( & - sum(lattice_NslipSystem(1:j-1,constitutive_dislobased_structure(i)))+k, & - sum(lattice_NtwinSystem(1:l-1,constitutive_dislobased_structure(i)))+m, & - constitutive_dislobased_structure(i)),i) - enddo; enddo; enddo; enddo - - do j=1,lattice_maxNtwinFamily - do k=1,constitutive_dislobased_Ntwin(j,i) - do l=1,lattice_maxNslipFamily - do m=1,constitutive_dislobased_Nslip(l,i) - constitutive_dislobased_hardeningMatrix_twinslip(sum(constitutive_dislobased_Ntwin(1:j-1,i))+k,& - sum(constitutive_dislobased_Nslip(1:l-1,i))+m,i) = & - constitutive_dislobased_interaction_twinslip(lattice_interactionTwinSlip( & - sum(lattice_NtwinSystem(1:j-1,constitutive_dislobased_structure(i)))+k, & - sum(lattice_NslipSystem(1:l-1,constitutive_dislobased_structure(i)))+m, & - constitutive_dislobased_structure(i)),i) - enddo; enddo; enddo; enddo - - do j=1,lattice_maxNtwinFamily - do k=1,constitutive_dislobased_Ntwin(j,i) - do l=1,lattice_maxNtwinFamily - do m=1,constitutive_dislobased_Ntwin(l,i) - constitutive_dislobased_hardeningMatrix_twintwin(sum(constitutive_dislobased_Ntwin(1:j-1,i))+k,& - sum(constitutive_dislobased_Ntwin(1:l-1,i))+m,i) = & - constitutive_dislobased_interaction_twintwin(lattice_interactionTwinTwin( & - sum(lattice_NtwinSystem(1:j-1,constitutive_dislobased_structure(i)))+k, & - sum(lattice_NtwinSystem(1:l-1,constitutive_dislobased_structure(i)))+m, & - constitutive_dislobased_structure(i)), i ) - enddo; enddo; enddo; enddo - - enddo - - return -end subroutine - - -function constitutive_dislobased_stateInit(myInstance) -!********************************************************************* -!* initial microstructural state * -!********************************************************************* - use prec, only: pReal,pInt - use lattice, only: lattice_maxNslipFamily,lattice_maxNtwinFamily - implicit none - - !* Definition of variables - integer(pInt), intent(in) :: myInstance - integer(pInt) i - real(pReal), dimension(constitutive_dislobased_sizeState(myInstance)) :: constitutive_dislobased_stateInit - - constitutive_dislobased_stateInit = 0.0_pReal - - do i = 1,lattice_maxNslipFamily - constitutive_dislobased_stateInit(1+sum(constitutive_dislobased_Nslip(1:i-1,myInstance)) : & - sum(constitutive_dislobased_Nslip(1:i ,myInstance))) = & - constitutive_dislobased_rho0(i,myInstance) - enddo - - return -end function - - -!********************************************************************* -!* relevant microstructural state * -!********************************************************************* -pure function constitutive_dislobased_relevantState(myInstance) - -use prec, only: pReal, & - pInt -implicit none - -!*** input variables -integer(pInt), intent(in) :: myInstance ! number specifying the current instance of the constitution - -!*** output variables -real(pReal), dimension(constitutive_dislobased_sizeState(myInstance)) :: & - constitutive_dislobased_relevantState ! relevant state values for the current instance of this constitution - -!*** local variables - -constitutive_dislobased_relevantState = 1.0e-200_pReal - -endfunction - - -function constitutive_dislobased_homogenizedC(state,ipc,ip,el) -!********************************************************************* -!* calculates homogenized elacticity matrix * -!* - state : microstructure quantities * -!* - ipc : component-ID of current integration point * -!* - ip : current integration point * -!* - el : current element * -!********************************************************************* - use prec, only: pReal,pInt,p_vec - use mesh, only: mesh_NcpElems,mesh_maxNips - use material, only: homogenization_maxNgrains,material_phase,phase_constitutionInstance - implicit none - - !* Definition of variables - integer(pInt), intent(in) :: ipc,ip,el - integer(pInt) matID,ns,nt,i - real(pReal) sumf - real(pReal), dimension(6,6) :: constitutive_dislobased_homogenizedC - type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: state - - !* Shortened notation - matID = phase_constitutionInstance(material_phase(ipc,ip,el)) - ns = constitutive_dislobased_totalNslip(matID) - nt = constitutive_dislobased_totalNtwin(matID) - - !* Total twin volume fraction - sumf = sum(state(ipc,ip,el)%p((ns+1):(ns+nt))) ! safe for nt == 0 - - !* Homogenized elasticity matrix - constitutive_dislobased_homogenizedC = (1.0_pReal-sumf)*constitutive_dislobased_Cslip_66(:,:,matID) - do i=1,nt - constitutive_dislobased_homogenizedC = constitutive_dislobased_homogenizedC + & - state(ipc,ip,el)%p(ns+i)*constitutive_dislobased_Ctwin_66(:,:,i,matID) - enddo - - return -end function - - -subroutine constitutive_dislobased_microstructure(Temperature,state,ipc,ip,el) -!********************************************************************* -!* calculates quantities characterizing the microstructure * -!* - Temperature : temperature * -!* - state : microstructure quantities * -!* - ipc : component-ID of current integration point * -!* - ip : current integration point * -!* - el : current element * -!********************************************************************* - use prec, only: pReal,pInt,p_vec - use math, only: pi - use mesh, only: mesh_NcpElems,mesh_maxNips - use material, only: homogenization_maxNgrains,material_phase,phase_constitutionInstance - use lattice, only: lattice_interactionSlipTwin,lattice_interactionTwinTwin - implicit none - - !* Definition of variables - integer(pInt), intent(in) :: ipc,ip,el - integer(pInt) matID,ns,nt,i - real(pReal) Temperature,sumf - real(pReal), dimension(constitutive_dislobased_totalNtwin(phase_constitutionInstance(material_phase(ipc,ip,el)))) :: fOverStacksize - type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: state - - !* Shortened notation - matID = phase_constitutionInstance(material_phase(ipc,ip,el)) - ns = constitutive_dislobased_totalNslip(matID) - nt = constitutive_dislobased_totalNtwin(matID) - !* State: 1 : ns rho_ssd - !* State: ns+1 : ns+nt f - !* State: ns+nt+1 : 2*ns+nt rho_forest - !* State: 2*ns+nt+1 : 3*ns+nt rho_parallel - !* State: 3*ns+nt+1 : 4*ns+nt 1/lambda_slip - !* State: 4*ns+nt+1 : 5*ns+nt 1/lambda_sliptwin - !* State: 5*ns+nt+1 : 5*ns+2*nt 1/lambda_twin - !* State: 5*ns+2*nt+1 : 6*ns+2*nt mfp_slip - !* State: 6*ns+2*nt+1 : 6*ns+3*nt mfp_twin - !* State: 6*ns+3*nt+1 : 7*ns+3*nt threshold_stress_slip - !* State: 7*ns+3*nt+1 : 7*ns+4*nt threshold_stress_twin - !* State: 7*ns+4*nt+1 : 8*ns+4*nt activation volume - !* State: 8*ns+4*nt+1 : 8*ns+5*nt twin volume - !* State: 8*ns+5*nt+1 : 9*ns+5*nt rho_mobile - !* State: 9*ns+5*nt+1 : 10*ns+5*nt initial shear rate - - !* Total twin volume fraction - sumf = sum(state(ipc,ip,el)%p((ns+1):(ns+nt))) ! safe for nt == 0 - - !* rescaled twin volume fraction for topology - forall (i = 1:nt) & - fOverStacksize(i) = state(ipc,ip,el)%p(ns+i)/constitutive_dislobased_stacksize(constitutive_dislobased_twinFamily(i,matID),matID) - - !* Forest and parallel dislocation densities - !$OMP CRITICAL (evilmatmul) - state(ipc,ip,el)%p((ns+nt+1):(2*ns+nt)) = & - matmul(constitutive_dislobased_forest_interaction(1:ns,1:ns,matID),state(ipc,ip,el)%p(1:ns)) - state(ipc,ip,el)%p((2*ns+nt+1):(3*ns+nt)) = & - matmul(constitutive_dislobased_parall_interaction(1:ns,1:ns,matID),state(ipc,ip,el)%p(1:ns)) - !$OMP END CRITICAL (evilmatmul) - - !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation - forall (i=1:ns) state(ipc,ip,el)%p(3*ns+nt+i) = sqrt(state(ipc,ip,el)%p(ns+nt+i)) - - !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation - !$OMP CRITICAL (evilmatmul) - state(ipc,ip,el)%p((4*ns+nt+1):(5*ns+nt)) = 0.0_pReal - if (nt > 0_pInt) state(ipc,ip,el)%p((4*ns+nt+1):(5*ns+nt)) = & - matmul(constitutive_dislobased_hardeningMatrix_sliptwin(1:ns,1:nt,matID),fOverStacksize(1:nt))/& - (2.0_pReal*(1.0_pReal-sumf)) - !$OMP END CRITICAL (evilmatmul) - - !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin - !$OMP CRITICAL (evilmatmul) - if (nt > 0_pInt) state(ipc,ip,el)%p((5*ns+nt+1):(5*ns+2*nt)) = & - matmul(constitutive_dislobased_hardeningMatrix_twintwin(1:nt,1:nt,matID),fOverStacksize(1:nt))/& - (2.0_pReal*(1.0_pReal-sumf)) - !$OMP END CRITICAL (evilmatmul) - - !* mean free path between 2 obstacles seen by a moving dislocation - do i=1,ns - if (nt > 0_pInt) then - state(ipc,ip,el)%p(5*ns+2*nt+i) = (constitutive_dislobased_Cmfpslip(matID)*constitutive_dislobased_grainsize(matID))/& - (1.0_pReal+constitutive_dislobased_grainsize(matID)*& - (state(ipc,ip,el)%p(3*ns+nt+i)+state(ipc,ip,el)%p(4*ns+nt+i))) - else - state(ipc,ip,el)%p(5*ns+i) = (constitutive_dislobased_Cmfpslip(matID)*constitutive_dislobased_grainsize(matID))/& - (1.0_pReal+constitutive_dislobased_grainsize(matID)*(state(ipc,ip,el)%p(3*ns+i))) - endif - enddo - - !* mean free path between 2 obstacles seen by a growing twin - forall (i=1:nt) & - state(ipc,ip,el)%p(6*ns+2*nt+i) = (constitutive_dislobased_Cmfptwin(matID)*constitutive_dislobased_grainsize(matID))/& - (1.0_pReal+constitutive_dislobased_grainsize(matID)*state(ipc,ip,el)%p(5*ns+nt+i)) - - !* threshold stress for dislocation motion - forall (i=1:ns) & - state(ipc,ip,el)%p(6*ns+3*nt+i) = constitutive_dislobased_Cthresholdslip(matID)*& - constitutive_dislobased_Burgers(constitutive_dislobased_slipFamily(i,matID),matID)*& - constitutive_dislobased_Gmod(matID)*sqrt(state(ipc,ip,el)%p(2*ns+nt+i)) - - !* threshold stress for growing twin - forall (i=1:nt) & - state(ipc,ip,el)%p(7*ns+3*nt+i) = constitutive_dislobased_Cthresholdtwin(matID)*(sqrt(3.0_pReal)/3.0_pReal)*(& - (0.0002_pReal*Temperature-0.0396_pReal)/constitutive_dislobased_Burgers(constitutive_dislobased_slipFamily(i,matID),matID)+& - (constitutive_dislobased_Burgers(constitutive_dislobased_slipFamily(i,matID),matID)*& - constitutive_dislobased_Gmod(matID))/state(ipc,ip,el)%p(5*ns+2*nt+i)) - - !* activation volume for dislocation glide - forall (i=1:ns) & - state(ipc,ip,el)%p(7*ns+4*nt+i) = constitutive_dislobased_Cactivolume(matID)*& - constitutive_dislobased_Burgers(constitutive_dislobased_slipFamily(i,matID),matID)**2*state(ipc,ip,el)%p(5*ns+2*nt+i) - - !* final twin volume after growth - forall (i=1:nt) & - state(ipc,ip,el)%p(8*ns+4*nt+i) = (pi/6.0_pReal)*& - constitutive_dislobased_stacksize(constitutive_dislobased_twinFamily(i,matID),matID)*& - state(ipc,ip,el)%p(6*ns+2*nt+i)*state(ipc,ip,el)%p(6*ns+2*nt+i) - - !* mobile dislocation densities - forall (i=1:ns) & - state(ipc,ip,el)%p(8*ns+5*nt+i) = (2.0_pReal*kB*Temperature*state(ipc,ip,el)%p(2*ns+nt+i))/& - (state(ipc,ip,el)%p(6*ns+3*nt+i)*state(ipc,ip,el)%p(7*ns+4*nt+i)) - - !* initial shear rate for slip - forall (i=1:ns) & - state(ipc,ip,el)%p(9*ns+5*nt+i) = state(ipc,ip,el)%p(8*ns+5*nt+i)*& - constitutive_dislobased_Burgers(constitutive_dislobased_slipFamily(i,matID),matID)*& - attack_frequency*state(ipc,ip,el)%p(5*ns+2*nt+i)*& - exp(-constitutive_dislobased_Qedge(constitutive_dislobased_slipFamily(i,matID),matID)/& - ! -------------------- - (kB*Temperature)) - -end subroutine - - -subroutine constitutive_dislobased_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperature,state,ipc,ip,el) -!********************************************************************* -!* calculates plastic velocity gradient and its tangent * -!* INPUT: * -!* - Temperature : temperature * -!* - state : microstructure quantities * -!* - Tstar_v : 2nd Piola Kirchhoff stress tensor (Mandel) * -!* - ipc : component-ID at current integration point * -!* - ip : current integration point * -!* - el : current element * -!* OUTPUT: * -!* - Lp : plastic velocity gradient * -!* - dLp_dTstar : derivative of Lp (4th-rank tensor) * -!********************************************************************* - use prec, only: pReal,pInt,p_vec - use math, only: math_Plain3333to99 - use mesh, only: mesh_NcpElems,mesh_maxNips - use material, only: homogenization_maxNgrains,material_phase,phase_constitutionInstance - use lattice, only: lattice_Sslip,lattice_Sslip_v,lattice_Stwin,lattice_Stwin_v,lattice_maxNslipFamily,lattice_maxNtwinFamily, & - lattice_NslipSystem,lattice_NtwinSystem,lattice_shearTwin - - implicit none - - !* Definition of variables - integer(pInt) ipc,ip,el - integer(pInt) matID,structID,ns,nt,f,i,j,k,l,m,n,index_myFamily - real(pReal) Temperature,sumf - type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: state - real(pReal), dimension(6) :: Tstar_v - real(pReal), dimension(3,3) :: Lp - real(pReal), dimension(3,3,3,3) :: dLp_dTstar3333 - real(pReal), dimension(9,9) :: dLp_dTstar - real(pReal), dimension(constitutive_dislobased_totalNslip(phase_constitutionInstance(material_phase(ipc,ip,el)))) :: & - gdot_slip,dgdot_dtauslip,tau_slip - real(pReal), dimension(constitutive_dislobased_totalNtwin(phase_constitutionInstance(material_phase(ipc,ip,el)))) :: & - gdot_twin,dgdot_dtautwin,tau_twin - - !* Shortened notation - matID = phase_constitutionInstance(material_phase(ipc,ip,el)) - structID = constitutive_dislobased_structure(matID) - ns = constitutive_dislobased_totalNslip(matID) - nt = constitutive_dislobased_totalNtwin(matID) - - !* Total twin volume fraction - sumf = sum(state(ipc,ip,el)%p((ns+1):(ns+nt))) ! safe for nt == 0 - - Lp = 0.0_pReal - dLp_dTstar3333 = 0.0_pReal - dLp_dTstar = 0.0_pReal - - !* Dislocation glide part - gdot_slip = 0.0_pReal - dgdot_dtauslip = 0.0_pReal - j = 0_pInt - do f = 1,lattice_maxNslipFamily ! loop over all slip families - index_myFamily = sum(lattice_NslipSystem(1:f-1,structID)) ! at which index starts my family - do i = 1,constitutive_dislobased_Nslip(f,matID) ! process each (active) slip system in family - j = j+1_pInt - - !* Calculation of Lp - tau_slip(j) = dot_product(Tstar_v,lattice_Sslip_v(:,index_myFamily+i,structID)) - if ( abs(tau_slip(j)) > state(ipc,ip,el)%p(6*ns+3*nt+j) ) then - - gdot_slip(j) = state(ipc,ip,el)%p(9*ns+5*nt+j)*sign(1.0_pReal,tau_slip(j))*& - sinh(((abs(tau_slip(j))-state(ipc,ip,el)%p(6*ns+3*nt+j))*state(ipc,ip,el)%p(7*ns+4*nt+j))/(kB*Temperature)) - - dgdot_dtauslip(j) = (state(ipc,ip,el)%p(9*ns+5*nt+j)*state(ipc,ip,el)%p(7*ns+4*nt+j))/(kB*Temperature)*& - cosh(((abs(tau_slip(j))-state(ipc,ip,el)%p(6*ns+3*nt+j))*state(ipc,ip,el)%p(7*ns+4*nt+j))/(kB*Temperature)) - - endif - Lp = Lp + (1.0_pReal - sumf)*gdot_slip(j)*lattice_Sslip(:,:,index_myFamily+i,structID) - - !* Calculation of the tangent of Lp - forall (k=1:3,l=1:3,m=1:3,n=1:3) & - dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + dgdot_dtauslip(j)*lattice_Sslip(k,l,index_myFamily+i,structID) & - *lattice_Sslip(m,n,index_myFamily+i,structID) - enddo - enddo - - !* Mechanical twinning part - gdot_twin = 0.0_pReal - dgdot_dtautwin = 0.0_pReal - j = 0_pInt - do f = 1,lattice_maxNtwinFamily ! loop over all slip families - index_myFamily = sum(lattice_NtwinSystem(1:f-1,structID)) ! at which index starts my family - do i = 1,constitutive_dislobased_Ntwin(f,matID) ! process each (active) slip system in family - j = j+1_pInt - - !* Calculation of Lp - tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,structID)) - if ( tau_twin(j) > 0.0_pReal ) then - - gdot_twin(j) = (constitutive_dislobased_fmax(matID) - sumf)*lattice_shearTwin(index_myFamily+i,structID)*& - state(ipc,ip,el)%p(8*ns+4*nt+j)*constitutive_dislobased_Ndot0(f,matID)*& - exp(-(state(ipc,ip,el)%p(7*ns+3*nt+j)/tau_twin(j))**10.0_pReal) - - dgdot_dtautwin(j) = (gdot_twin(j)*10.0_pReal*state(ipc,ip,el)%p(7*ns+3*nt+j)**10.0_pReal)/(tau_twin(j)**11.0_pReal) - - endif - Lp = Lp + gdot_twin(j)*lattice_Stwin(:,:,index_myFamily+i,structID) - - !* Calculation of the tangent of Lp - forall (k=1:3,l=1:3,m=1:3,n=1:3) & - dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + dgdot_dtautwin(j)*lattice_Stwin(k,l,index_myFamily+i,structID) & - *lattice_Stwin(m,n,index_myFamily+i,structID) - enddo - enddo - - dLp_dTstar = math_Plain3333to99(dLp_dTstar3333) - - return -end subroutine - - -function constitutive_dislobased_dotState(Tstar_v,Temperature,state,ipc,ip,el) -!********************************************************************* -!* rate of change of microstructure * -!* INPUT: * -!* - Temperature : temperature * -!* - state : microstructure quantities * -!* - Tstar_v : 2nd Piola Kirchhoff stress tensor (Mandel) * -!* - ipc : component-ID at current integration point * -!* - ip : current integration point * -!* - el : current element * -!* OUTPUT: * -!* - constitutive_dotState : evolution of state variable * -!********************************************************************* - use prec, only: pReal,pInt,p_vec - use mesh, only: mesh_NcpElems,mesh_maxNips - use material, only: homogenization_maxNgrains,material_phase, phase_constitutionInstance - use lattice, only: lattice_Sslip,lattice_Sslip_v,lattice_Stwin,lattice_Stwin_v,lattice_maxNslipFamily,lattice_maxNtwinFamily, & - lattice_NslipSystem,lattice_NtwinSystem,lattice_shearTwin - implicit none - -!* Definition of variables - integer(pInt) ipc,ip,el - integer(pInt) matID,structID,ns,nt,f,i,j,k,index_myFamily - real(pReal) Temperature,sumf - type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: state - real(pReal), dimension(6) :: Tstar_v - real(pReal), dimension(constitutive_dislobased_totalNslip(phase_constitutionInstance(material_phase(ipc,ip,el)))) :: & - gdot_slip,tau_slip,storage,arecovery - real(pReal), dimension(constitutive_dislobased_totalNtwin(phase_constitutionInstance(material_phase(ipc,ip,el)))) :: & - gdot_twin,tau_twin - real(pReal), dimension(constitutive_dislobased_sizeDotState(phase_constitutionInstance(material_phase(ipc,ip,el)))) :: & - constitutive_dislobased_dotState - - !* Shortened notation - matID = phase_constitutionInstance(material_phase(ipc,ip,el)) - structID = constitutive_dislobased_structure(matID) - ns = constitutive_dislobased_totalNslip(matID) - nt = constitutive_dislobased_totalNtwin(matID) - - !* Total twin volume fraction - sumf = sum(state(ipc,ip,el)%p((ns+1):(ns+nt))) ! safe for nt == 0 - - constitutive_dislobased_dotState = 0.0_pReal - - !* Dislocation density evolution - gdot_slip = 0.0_pReal - j = 0_pInt - do f = 1,lattice_maxNslipFamily ! loop over all slip families - index_myFamily = sum(lattice_NslipSystem(1:f-1,structID)) ! at which index starts my family - do i = 1,constitutive_dislobased_Nslip(f,matID) ! process each (active) slip system in family - j = j+1_pInt - - !* Calculation of Lp - tau_slip(j) = dot_product(Tstar_v,lattice_Sslip_v(:,index_myFamily+i,structID)) - if ( abs(tau_slip(j)) > state(ipc,ip,el)%p(6*ns+3*nt+j) ) then - - gdot_slip(j) = state(ipc,ip,el)%p(9*ns+5*nt+j)*sign(1.0_pReal,tau_slip(j))* & - sinh(((abs(tau_slip(j))-state(ipc,ip,el)%p(6*ns+3*nt+j))*state(ipc,ip,el)%p(7*ns+4*nt+j))/(kB*Temperature)) - - storage(j) = (constitutive_dislobased_Cstorage(matID)*abs(gdot_slip(j)))/& - (constitutive_dislobased_Burgers(f,matID)*state(ipc,ip,el)%p(5*ns+2*nt+j)) - - arecovery(j) = constitutive_dislobased_Carecovery(matID)*state(ipc,ip,el)%p(j)*abs(gdot_slip(j)) - - constitutive_dislobased_dotState(j) = storage(j) - arecovery(j) - - endif - enddo - enddo - - !* Twin volume fraction evolution - gdot_twin = 0.0_pReal - j = 0_pInt - do f = 1,lattice_maxNtwinFamily ! loop over all twin families - index_myFamily = sum(lattice_NtwinSystem(1:f-1,structID)) ! at which index starts my family - do i = 1,constitutive_dislobased_Ntwin(f,matID) ! process each (active) twin system in family - j = j+1_pInt - - !* Calculation of Lp - tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,structID)) - if ( tau_twin(j) > 0.0_pReal ) & - constitutive_dislobased_dotState(ns+j) = (constitutive_dislobased_fmax(matID) - sumf)* & - lattice_shearTwin(index_myFamily+i,structID)*state(ipc,ip,el)%p(8*ns+4*nt+j)*constitutive_dislobased_Ndot0(f,matID)*& - exp(-(state(ipc,ip,el)%p(7*ns+3*nt+j)/tau_twin(j))**10.0_pReal) - enddo - enddo - - return -end function - - -function constitutive_dislobased_dotTemperature(Tstar_v,Temperature,state,ipc,ip,el) -!********************************************************************* -!* rate of change of microstructure * -!* INPUT: * -!* - Temperature : temperature * -!* - Tstar_v : 2nd Piola Kirchhoff stress tensor (Mandel) * -!* - ipc : component-ID at current integration point * -!* - ip : current integration point * -!* - el : current element * -!* OUTPUT: * -!* - constitutive_dotTemperature : evolution of Temperature * -!********************************************************************* - use prec, only: pReal,pInt,p_vec - use mesh, only: mesh_NcpElems,mesh_maxNips - use material, only: homogenization_maxNgrains - implicit none - -!* Definition of variables - integer(pInt) ipc,ip,el - real(pReal) Temperature - type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: state - real(pReal), dimension(6) :: Tstar_v - real(pReal) constitutive_dislobased_dotTemperature - - constitutive_dislobased_dotTemperature = 0.0_pReal - - return -end function - - -pure function constitutive_dislobased_postResults(Tstar_v,Temperature,dt,state,ipc,ip,el) -!********************************************************************* -!* return array of constitutive results * -!* INPUT: * -!* - Temperature : temperature * -!* - Tstar_v : 2nd Piola Kirchhoff stress tensor (Mandel) * -!* - dt : current time increment * -!* - ipc : component-ID at current integration point * -!* - ip : current integration point * -!* - el : current element * -!********************************************************************* - use prec, only: pReal,pInt,p_vec - use mesh, only: mesh_NcpElems,mesh_maxNips - use material, only: homogenization_maxNgrains,material_phase,phase_constitutionInstance,phase_Noutput - use lattice, only: lattice_Sslip_v,lattice_Stwin_v,lattice_maxNslipFamily,lattice_maxNtwinFamily, & - lattice_NslipSystem,lattice_NtwinSystem,lattice_shearTwin - implicit none - -!* Definition of variables - integer(pInt), intent(in) :: ipc,ip,el - real(pReal), intent(in) :: dt,Temperature - real(pReal), dimension(6), intent(in) :: Tstar_v - type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: state - integer(pInt) matID,structID,ns,nt,f,o,i,c,j,index_myFamily - real(pReal) sumf,tau - real(pReal), dimension(constitutive_dislobased_sizePostResults(phase_constitutionInstance(material_phase(ipc,ip,el)))) :: & - constitutive_dislobased_postResults - - !* Shortened notation - matID = phase_constitutionInstance(material_phase(ipc,ip,el)) - structID = constitutive_dislobased_structure(matID) - ns = constitutive_dislobased_totalNslip(matID) - nt = constitutive_dislobased_totalNtwin(matID) - - !* Total twin volume fraction - sumf = sum(state(ipc,ip,el)%p((ns+1):(ns+nt))) ! safe for nt == 0 - - !* Required output - c = 0_pInt - constitutive_dislobased_postResults = 0.0_pReal - - do o = 1,phase_Noutput(material_phase(ipc,ip,el)) - select case(constitutive_dislobased_output(o,matID)) - - case ('dislocationdensity') - constitutive_dislobased_postResults(c+1:c+ns) = state(ipc,ip,el)%p(1:ns) - c = c + ns - - case ('shearrate_slip') - j = 0_pInt - do f = 1,lattice_maxNslipFamily ! loop over all slip families - index_myFamily = sum(lattice_NslipSystem(1:f-1,structID)) ! at which index starts my family - do i = 1,constitutive_dislobased_Nslip(f,matID) ! process each (active) slip system in family - j = j + 1_pInt - tau = dot_product(Tstar_v,lattice_Sslip_v(:,index_myFamily+i,structID)) - if ( abs(tau) > state(ipc,ip,el)%p(6*ns+3*nt+j) ) then - constitutive_dislobased_postResults(c+j) = state(ipc,ip,el)%p(9*ns+5*nt+j)*sign(1.0_pReal,tau)* & - sinh(((abs(tau)-state(ipc,ip,el)%p(6*ns+3*nt+j))*state(ipc,ip,el)%p(7*ns+4*nt+j))/(kB*Temperature)) - else - constitutive_dislobased_postResults(c+j) = 0.0_pReal - endif - enddo ; enddo - c = c + ns - - case ('mfp_slip') - constitutive_dislobased_postResults(c+1:c+ns) = state(ipc,ip,el)%p((5*ns+2*nt+1):(6*ns+2*nt)) - c = c + ns - - case ('resolvedstress_slip') - j = 0_pInt - do f = 1,lattice_maxNslipFamily ! loop over all slip families - index_myFamily = sum(lattice_NslipSystem(1:f-1,structID)) ! at which index starts my family - do i = 1,constitutive_dislobased_Nslip(f,matID) ! process each (active) slip system in family - j = j + 1_pInt - constitutive_dislobased_postResults(c+j) = dot_product(Tstar_v,lattice_Sslip_v(:,index_myFamily+i,structID)) - enddo; enddo - c = c + ns - - case ('resistance_slip') - constitutive_dislobased_postResults(c+1:c+ns) = state(ipc,ip,el)%p((6*ns+3*nt+1):(7*ns+3*nt)) - c = c + ns - - case ('volumefraction') - constitutive_dislobased_postResults(c+1:c+nt) = state(ipc,ip,el)%p((ns+1):(ns+nt)) - c = c + nt - - case ('shearrate_twin') - if (nt > 0_pInt) then - j = 0_pInt - do f = 1,lattice_maxNtwinFamily ! loop over all slip families - index_myFamily = sum(lattice_NtwinSystem(1:f-1,structID)) ! at which index starts my family - do i = 1,constitutive_dislobased_Ntwin(f,matID) ! process each (active) slip system in family - j = j + 1_pInt - tau = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,structID)) - if ( tau > 0.0_pReal ) then - constitutive_dislobased_postResults(c+j) = (constitutive_dislobased_fmax(matID) - sumf)* & - lattice_shearTwin(index_myFamily+i,structID)*state(ipc,ip,el)%p(8*ns+4*nt+j)* & - constitutive_dislobased_Ndot0(f,matID)*exp(-(state(ipc,ip,el)%p(7*ns+3*nt+j)/tau)**10.0_pReal) - else - constitutive_dislobased_postResults(c+j) = 0.0_pReal - endif - enddo ; enddo - endif - c = c + nt - - case ('mfp_twin') - constitutive_dislobased_postResults(c+1:c+nt) = state(ipc,ip,el)%p((6*ns+2*nt+1):(6*ns+3*nt)) - c = c + nt - - case ('resolvedstress_twin') - if (nt > 0_pInt) then - j = 0_pInt - do f = 1,lattice_maxNtwinFamily ! loop over all slip families - index_myFamily = sum(lattice_NtwinSystem(1:f-1,structID)) ! at which index starts my family - do i = 1,constitutive_dislobased_Ntwin(f,matID) ! process each (active) slip system in family - j = j + 1_pInt - constitutive_dislobased_postResults(c+j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,structID)) - enddo; enddo - endif - c = c + nt - - case ('resistance_twin') - constitutive_dislobased_postResults(c+1:c+nt) = state(ipc,ip,el)%p((7*ns+3*nt+1):(7*ns+4*nt)) - c = c + nt - - end select - enddo - - return -end function - -END MODULE \ No newline at end of file diff --git a/code/mpie_cpfem_marc.f90 b/code/mpie_cpfem_marc.f90 index e73851966..2b3b59510 100644 --- a/code/mpie_cpfem_marc.f90 +++ b/code/mpie_cpfem_marc.f90 @@ -61,7 +61,7 @@ END MODULE include "lattice.f90" ! uses prec, math, IO, material include "constitutive_phenopowerlaw.f90" ! uses prec, math, IO, lattice, material, debug include "constitutive_j2.f90" ! uses prec, math, IO, lattice, material, debug - include "constitutive_dislobased.f90" ! uses prec, math, IO, lattice, material, debug + include "constitutive_dislotwin.f90" ! uses prec, math, IO, lattice, material, debug include "constitutive_nonlocal.f90" ! uses prec, math, IO, lattice, material, debug include "constitutive.f90" ! uses prec, IO, math, lattice, mesh, debug include "crystallite.f90" ! uses prec, math, IO, numerics