diff --git a/code/constitutive_dislobased.f90 b/code/constitutive_dislobased.f90 index c1f184578..614a8d559 100644 --- a/code/constitutive_dislobased.f90 +++ b/code/constitutive_dislobased.f90 @@ -8,72 +8,106 @@ !* - orientations * !************************************ -! [Alu] -! constitution dislobased -! (output) dislodensity -! (output) rateofshear -! lattice_structure 1 -! Nslip 12 -! -! c11 106.75e9 -! c12 60.41e9 -! c44 28.34e9 -! -! burgers 2.86e-10 # Burgers vector [m] -! Qedge 3e-19 # Activation energy for dislocation glide [J/K] (0.5*G*b^3) -! Qsd 2.4e-19 # Activation energy for self diffusion [J/K] (gamma-iron) -! diff0 1e-3 # prefactor vacancy diffusion coeffficent (gamma-iron) -! interaction_coefficients 1.0 2.2 3.0 1.6 3.8 4.5 # Dislocation interaction coefficients -! -! rho0 6.0e12 # Initial dislocation density [m/m^3] -! -! c1 0.1 # Passing stress adjustment -! c2 2.0 # Jump width adjustment -! c3 1.0 # Activation volume adjustment -! c4 50.0 # Average slip distance adjustment for lock formation -! c7 8.0 # Athermal recovery adjustment -! c8 1.0e10 # Thermal recovery adjustment (plays no role for me) +! [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) state_slip +! (output) shearrate_slip +! (output) mfp_slip +! (output) resolvedstress_slip +! (output) resistance_slip +! (output) state_twin +! (output) shearrate_twin +! (output) mfp_twin +! (output) resolvedstress_twin +! (output) resistance_twin + +! ### 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 +! # Playground for 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 +! # Playground for 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 - integer(pInt), dimension(:), allocatable :: constitutive_dislobased_sizeDotState, & - constitutive_dislobased_sizeState, & - constitutive_dislobased_sizePostResults - integer(pInt), dimension(:,:), allocatable,target :: constitutive_dislobased_sizePostResult ! size of each post result output - character(len=64), dimension(:,:), allocatable,target :: constitutive_dislobased_output ! name of each post result output - character(len=32), dimension(:), allocatable :: constitutive_dislobased_structureName - integer(pInt), dimension(:), allocatable :: constitutive_dislobased_structure - integer(pInt), dimension(:), allocatable :: constitutive_dislobased_Nslip - real(pReal), dimension(:), allocatable :: constitutive_dislobased_C11 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_C12 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_C13 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_C33 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_C44 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_Gmod - real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_Cslip_66 -!* Visco-plastic constitutive_phenomenological parameters - real(pReal), dimension(:), allocatable :: constitutive_dislobased_rho0 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_bg - real(pReal), dimension(:), allocatable :: constitutive_dislobased_Qedge - real(pReal), dimension(:), allocatable :: constitutive_dislobased_Qsd - real(pReal), dimension(:), allocatable :: constitutive_dislobased_D0 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_c1 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_c2 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_c3 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_c4 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_c5 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_c6 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_c7 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_c8 - real(pReal), dimension(:), allocatable :: constitutive_dislobased_CoverA - real(pReal), dimension(:,:), allocatable :: constitutive_dislobased_SlipIntCoeff - real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_Iparallel - real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_Iforest + character(len=32), dimension(:), allocatable :: constitutive_dislobased_structureName + integer(pInt), dimension(:), allocatable :: constitutive_dislobased_structure + integer(pInt), dimension(:,:), allocatable :: constitutive_dislobased_Nslip + integer(pInt), dimension(:,:), allocatable :: constitutive_dislobased_Ntwin + integer(pInt), dimension(:), allocatable :: constitutive_dislobased_totalNslip + integer(pInt), dimension(:), allocatable :: constitutive_dislobased_totalNtwin + + real(pReal), dimension(:), allocatable :: constitutive_dislobased_CoverA + real(pReal), dimension(:), allocatable :: constitutive_dislobased_C11 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_C12 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_C13 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_C33 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_C44 + real(pReal), dimension(:), allocatable :: 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 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_bg + real(pReal), dimension(:), allocatable :: constitutive_dislobased_Qedge + real(pReal), dimension(:), allocatable :: constitutive_dislobased_grainsize + real(pReal), dimension(:), allocatable :: constitutive_dislobased_stacksize + real(pReal), dimension(:), allocatable :: constitutive_dislobased_fmax + real(pReal), dimension(:), allocatable :: constitutive_dislobased_Ndot0 + real(pReal), dimension(:), allocatable :: constitutive_dislobased_Cmfpslip + real(pReal), dimension(:), allocatable :: constitutive_dislobased_Cmfptwin + real(pReal), dimension(:), allocatable :: constitutive_dislobased_Cthresholdslip + real(pReal), dimension(:), allocatable :: constitutive_dislobased_Cthresholdtwin + real(pReal), dimension(:), allocatable :: constitutive_dislobased_Cactivolume + real(pReal), dimension(:), allocatable :: constitutive_dislobased_Cstorage + real(pReal), dimension(:), allocatable :: constitutive_dislobased_Carecovery + + real(pReal), dimension(:,:), allocatable :: constitutive_dislobased_interaction_slipslip + real(pReal), dimension(:,:), allocatable :: constitutive_dislobased_interaction_sliptwin + real(pReal), dimension(:,:), allocatable :: constitutive_dislobased_interaction_twinslip + real(pReal), dimension(:,:), allocatable :: constitutive_dislobased_interaction_twintwin + + real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_parall_interaction + real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_forest_interaction + real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_hardeningMatrix_sliptwin + real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_hardeningMatrix_twinslip + real(pReal), dimension(:,:,:), allocatable :: constitutive_dislobased_hardeningMatrix_twintwin !************************************* !* Definition of material properties * @@ -90,69 +124,93 @@ real(pReal), parameter :: Rgaz = 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 prec, only: pInt,pReal + use math, only: math_Mandel3333to66,math_Voigt66to3333,math_mul3x3 use IO use material - use lattice, only: lattice_sn, lattice_st, lattice_interactionSlipSlip, lattice_initializeStructure + use lattice, only: lattice_initializeStructure,lattice_maxNslipFamily,lattice_maxNtwinFamily,lattice_maxNinteraction,& + lattice_NslipSystem,lattice_NtwinSystem,lattice_interactionSlipSlip,lattice_interactionSlipTwin,& + lattice_interactionTwinSlip,lattice_interactionTwinTwin,lattice_Qtwin,lattice_sn,lattice_st,lattice_tn integer(pInt), intent(in) :: file - integer(pInt), parameter :: maxNchunks = 7 + integer(pInt), parameter :: maxNchunks = 21 integer(pInt), dimension(1+2*maxNchunks) :: positions - integer(pInt) section, maxNinstance, i,j,k,l, output, mySize + 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,*) - + 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_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 + 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(maxNinstance)) ; constitutive_dislobased_Nslip = 0_pInt - 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_rho0(maxNinstance)) ; constitutive_dislobased_rho0 = 0.0_pReal - allocate(constitutive_dislobased_bg(maxNinstance)) ; constitutive_dislobased_bg = 0.0_pReal - allocate(constitutive_dislobased_Qedge(maxNinstance)) ; constitutive_dislobased_Qedge = 0.0_pReal - allocate(constitutive_dislobased_Qsd(maxNinstance)) ; constitutive_dislobased_Qsd = 0.0_pReal - allocate(constitutive_dislobased_D0(maxNinstance)) ; constitutive_dislobased_D0 = 0.0_pReal - allocate(constitutive_dislobased_c1(maxNinstance)) ; constitutive_dislobased_c1 = 0.0_pReal - allocate(constitutive_dislobased_c2(maxNinstance)) ; constitutive_dislobased_c2 = 0.0_pReal - allocate(constitutive_dislobased_c3(maxNinstance)) ; constitutive_dislobased_c3 = 0.0_pReal - allocate(constitutive_dislobased_c4(maxNinstance)) ; constitutive_dislobased_c4 = 0.0_pReal - allocate(constitutive_dislobased_c5(maxNinstance)) ; constitutive_dislobased_c5 = 0.0_pReal - allocate(constitutive_dislobased_c6(maxNinstance)) ; constitutive_dislobased_c6 = 0.0_pReal - allocate(constitutive_dislobased_c7(maxNinstance)) ; constitutive_dislobased_c7 = 0.0_pReal - allocate(constitutive_dislobased_c8(maxNinstance)) ; constitutive_dislobased_c8 = 0.0_pReal - allocate(constitutive_dislobased_CoverA(maxNinstance)) ; constitutive_dislobased_CoverA = 0.0_pReal - allocate(constitutive_dislobased_SlipIntCoeff(6,maxNinstance)) ; constitutive_dislobased_SlipIntCoeff = 0.0_pReal + 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_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(maxNinstance)) ; constitutive_dislobased_rho0 = 0.0_pReal + allocate(constitutive_dislobased_bg(maxNinstance)) ; constitutive_dislobased_bg = 0.0_pReal + allocate(constitutive_dislobased_Qedge(maxNinstance)) ; constitutive_dislobased_Qedge = 0.0_pReal + allocate(constitutive_dislobased_grainsize(maxNinstance)) ; constitutive_dislobased_grainsize = 0.0_pReal + allocate(constitutive_dislobased_stacksize(maxNinstance)) ; constitutive_dislobased_stacksize = 0.0_pReal + allocate(constitutive_dislobased_fmax(maxNinstance)) ; constitutive_dislobased_fmax = 0.0_pReal + allocate(constitutive_dislobased_Ndot0(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_Cstorage(maxNinstance)) ; constitutive_dislobased_Cstorage = 0.0_pReal + allocate(constitutive_dislobased_Carecovery(maxNinstance)) ; constitutive_dislobased_Carecovery = 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 = '' @@ -182,8 +240,6 @@ subroutine constitutive_dislobased_init(file) constitutive_dislobased_structureName(i) = IO_lc(IO_stringValue(line,positions,2)) case ('covera_ratio') constitutive_dislobased_CoverA(i) = IO_floatValue(line,positions,2) - case ('nslip') - constitutive_dislobased_Nslip(i) = IO_intValue(line,positions,2) case ('c11') constitutive_dislobased_C11(i) = IO_floatValue(line,positions,2) case ('c12') @@ -194,35 +250,50 @@ subroutine constitutive_dislobased_init(file) 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') constitutive_dislobased_rho0(i) = IO_floatValue(line,positions,2) case ('burgers') constitutive_dislobased_bg(i) = IO_floatValue(line,positions,2) case ('qedge') constitutive_dislobased_Qedge(i) = IO_floatValue(line,positions,2) - case ('qsd') - constitutive_dislobased_Qsd(i) = IO_floatValue(line,positions,2) - case ('diff0') - constitutive_dislobased_D0(i) = IO_floatValue(line,positions,2) - case ('c1') - constitutive_dislobased_c1(i) = IO_floatValue(line,positions,2) - case ('c2') - constitutive_dislobased_c2(i) = IO_floatValue(line,positions,2) - case ('c3') - constitutive_dislobased_c3(i) = IO_floatValue(line,positions,2) - case ('c4') - constitutive_dislobased_c4(i) = IO_floatValue(line,positions,2) - case ('c5') - constitutive_dislobased_c5(i) = IO_floatValue(line,positions,2) - case ('c6') - constitutive_dislobased_c6(i) = IO_floatValue(line,positions,2) - case ('c7') - constitutive_dislobased_c7(i) = IO_floatValue(line,positions,2) - case ('c8') - constitutive_dislobased_c8(i) = IO_floatValue(line,positions,2) - case ('interaction_coefficients') - forall (j=1:6) & - constitutive_dislobased_SlipIntCoeff(j,i) = IO_floatValue(line,positions,1+j) + case ('grainsize') + constitutive_dislobased_grainsize(i) = IO_floatValue(line,positions,2) + case ('stacksize') + constitutive_dislobased_stacksize(i) = IO_floatValue(line,positions,2) + case ('fmax') + constitutive_dislobased_fmax(i) = IO_floatValue(line,positions,2) + case ('ndot0') + constitutive_dislobased_Ndot0(i) = IO_floatValue(line,positions,2) + 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 ('cstorage') + constitutive_dislobased_Cstorage(i) = IO_floatValue(line,positions,2) + case ('carecovery') + constitutive_dislobased_Carecovery(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 @@ -231,46 +302,90 @@ subroutine constitutive_dislobased_init(file) 100 do i = 1,maxNinstance constitutive_dislobased_structure(i) = lattice_initializeStructure(constitutive_dislobased_structureName(i), & constitutive_dislobased_CoverA(i)) -! sanity checks - if (constitutive_dislobased_structure(i) < 1) call IO_error(205) + 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 (constitutive_dislobased_rho0(i) < 0.0_pReal) call IO_error(220) if (constitutive_dislobased_bg(i) <= 0.0_pReal) call IO_error(221) if (constitutive_dislobased_Qedge(i) <= 0.0_pReal) call IO_error(222) - if (constitutive_dislobased_Qsd(i) <= 0.0_pReal) call IO_error(223) - if (constitutive_dislobased_D0(i) <= 0.0_pReal) call IO_error(224) - if (constitutive_dislobased_Nslip(i) < 1) call IO_error(225) enddo - allocate(constitutive_dislobased_Iparallel(maxval(constitutive_dislobased_Nslip),& - maxval(constitutive_dislobased_Nslip),& - maxNinstance)) + allocate(constitutive_dislobased_parall_interaction(maxval(constitutive_dislobased_totalNslip),& + maxval(constitutive_dislobased_totalNslip),& + maxNinstance)) + constitutive_dislobased_parall_interaction = 0.0_pReal - allocate(constitutive_dislobased_Iforest(maxval(constitutive_dislobased_Nslip),& - maxval(constitutive_dislobased_Nslip),& - maxNinstance)) + allocate(constitutive_dislobased_forest_interaction(maxval(constitutive_dislobased_totalNslip),& + maxval(constitutive_dislobased_totalNslip),& + maxNinstance)) + constitutive_dislobased_forest_interaction = 0.0_pReal - do i = 1,maxNinstance + allocate(constitutive_dislobased_hardeningMatrix_sliptwin(maxval(constitutive_dislobased_totalNslip),& + maxval(constitutive_dislobased_totalNtwin),& + maxNinstance)) + constitutive_dislobased_hardeningMatrix_sliptwin = 0.0_pReal + + allocate(constitutive_dislobased_hardeningMatrix_twinslip(maxval(constitutive_dislobased_totalNtwin),& + maxval(constitutive_dislobased_totalNslip),& + maxNinstance)) + constitutive_dislobased_hardeningMatrix_twinslip = 0.0_pReal + + allocate(constitutive_dislobased_hardeningMatrix_twintwin(maxval(constitutive_dislobased_totalNtwin),& + maxval(constitutive_dislobased_totalNtwin),& + maxNinstance)) + 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('dislodensity') - mySize = constitutive_dislobased_Nslip(i) - case('rateofshear') - mySize = constitutive_dislobased_Nslip(i) + select case(constitutive_dislobased_output(j,i)) + case('state_slip') + mySize = constitutive_dislobased_totalNslip(i) + case('shearrate_slip') + mySize = constitutive_dislobased_totalNslip(i) + case('mfp_slip') + mySize = constitutive_dislobased_totalNslip(i) + case('resolvedstress_slip') + mySize = constitutive_dislobased_totalNslip(i) + case('resistance_slip') + mySize = constitutive_dislobased_totalNslip(i) + case('state_twin') + mySize = constitutive_dislobased_totalNtwin(i) + case('shearrate_twin') + mySize = constitutive_dislobased_totalNtwin(i) + case('mfp_twin') + mySize = constitutive_dislobased_totalNtwin(i) + case('resolvedstress_twin') + mySize = constitutive_dislobased_totalNtwin(i) + case('resistance_twin') + mySize = constitutive_dislobased_totalNtwin(i) case default mySize = 0_pInt - end select + end select - if (mySize > 0_pInt) then ! any meaningful output found + if (mySize > 0_pInt) then constitutive_dislobased_sizePostResult(j,i) = mySize - constitutive_dislobased_sizePostResults(i) = & - constitutive_dislobased_sizePostResults(i) + mySize + constitutive_dislobased_sizePostResults(i) = constitutive_dislobased_sizePostResults(i) + mySize endif enddo - - constitutive_dislobased_sizeDotState(i) = constitutive_dislobased_Nslip(i) - constitutive_dislobased_sizeState(i) = 8*constitutive_dislobased_Nslip(i) + + 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) @@ -294,30 +409,92 @@ subroutine constitutive_dislobased_init(file) 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_66(:,:,i) = math_Mandel3333to66(math_Voigt66to3333(constitutive_dislobased_Cslip_66(:,:,i))) + constitutive_dislobased_Cslip_3333(:,:,:,:,i) = math_Voigt66to3333(constitutive_dislobased_Cslip_66(:,:,i)) + + !* 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,constitutive_dislobased_Nslip(i) - do k = 1,constitutive_dislobased_Nslip(i) - !* Projection of the dislocation * - x = math_mul3x3(lattice_sn(:,j,i),lattice_st(:,k,i)) - y = 1.0_pReal-x**(2.0_pReal) - !* Interaction matrix * - constitutive_dislobased_Iforest(j,k,i) = abs(x)*& - constitutive_dislobased_SlipIntCoeff(lattice_interactionSlipSlip(j,k,constitutive_dislobased_structure(i)),i) - if (y>0.0_pReal) & - constitutive_dislobased_Iparallel(j,k,i) = sqrt(y)*& - constitutive_dislobased_SlipIntCoeff(lattice_interactionSlipSlip(j,k,constitutive_dislobased_structure(i)),i) - enddo - enddo + 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 @@ -325,111 +502,205 @@ function constitutive_dislobased_stateInit(myInstance) !********************************************************************* !* initial microstructural state * !********************************************************************* - use prec, only: pReal,pInt + use prec, only: pReal,pInt + use lattice, only: lattice_maxNslipFamily,lattice_maxNtwinFamily implicit none -!* Definition of variables + !* Definition of variables integer(pInt), intent(in) :: myInstance - real(pReal), dimension(constitutive_dislobased_Nslip(myInstance)) :: constitutive_dislobased_stateInit - - constitutive_dislobased_stateInit = constitutive_dislobased_rho0(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(myInstance) + enddo + return end function + function constitutive_dislobased_homogenizedC(state,ipc,ip,el) !********************************************************************* -!* homogenized elacticity matrix * -!* INPUT: * -!* - state : state variables * +!* 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 + 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 + !* Definition of variables integer(pInt), intent(in) :: ipc,ip,el - integer(pInt) matID + 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)) - constitutive_dislobased_homogenizedC = constitutive_dislobased_Cslip_66(:,:,matID) + ns = constitutive_dislobased_totalNslip(matID) + nt = constitutive_dislobased_totalNtwin(matID) + + !* Total twin volume fraction + sumf = 0.0_pReal + if (nt > 0_pInt) sumf = sum(state(ipc,ip,el)%p((ns+1):(ns+nt))) + + !* 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) !********************************************************************* -!* calculate derived quantities from state (not used here) * -!* INPUT: * -!* - Tp : temperature * +!* 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 mesh, only: mesh_NcpElems,mesh_maxNips - use material, only: homogenization_maxNgrains,material_phase, phase_constitutionInstance + 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) ipc,ip,el,matID,n,i - real(pReal) Temperature + !* Definition of variables + integer(pInt), intent(in) :: ipc,ip,el + integer(pInt) matID,ns,nt,i + real(pReal) Temperature,sumf type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: state + !* Shortened notation matID = phase_constitutionInstance(material_phase(ipc,ip,el)) - n = constitutive_dislobased_Nslip(matID) - !* Quantities derived from state - slip - !* State: 1 : n rho - !* n+1 : 2n rho_f - !* 2n+1 : 3n rho_p - !* 3n+1 : 4n passing stress - !* 4n+1 : 5n jump width - !* 5n+1 : 6n activation volume - !* 6n+1 : 7n rho_m - !* 7n+1 : 8n g0_slip + 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 = 0.0_pReal + if (nt > 0_pInt) sumf = sum(state(ipc,ip,el)%p((ns+1):(ns+nt))) + + !* Forest and parallel dislocation densities !$OMP CRITICAL (evilmatmul) - state(ipc,ip,el)%p((n+1):(2*n)) = matmul(constitutive_dislobased_Iforest (1:n,1:n,matID),state(ipc,ip,el)%p(1:n)) - state(ipc,ip,el)%p((2*n+1):(3*n)) = matmul(constitutive_dislobased_Iparallel(1:n,1:n,matID),state(ipc,ip,el)%p(1:n)) + state(ipc,ip,el)%p((ns+nt+1):(2*ns+nt)) = & + matmul(constitutive_dislobased_forest_interaction(1:ns,1:ns,matID),state(ipc,ip,el)%p(1:ns)) + state(ipc,ip,el)%p((2*ns+nt+1):(3*ns+nt)) = & + matmul(constitutive_dislobased_parall_interaction(1:ns,1:ns,matID),state(ipc,ip,el)%p(1:ns)) + !$OMP END CRITICAL (evilmatmul) + + !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation + do i=1,ns + state(ipc,ip,el)%p(3*ns+nt+i) = sqrt(state(ipc,ip,el)%p(ns+nt+i)) + enddo + + !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation + !$OMP CRITICAL (evilmatmul) + state(ipc,ip,el)%p((4*ns+nt+1):(5*ns+nt)) = 0.0_pReal + if (nt > 0_pInt) state(ipc,ip,el)%p((4*ns+nt+1):(5*ns+nt)) = & + matmul(constitutive_dislobased_hardeningMatrix_sliptwin(1:ns,1:nt,matID),state(ipc,ip,el)%p((ns+1):(ns+nt)))/& + (2.0_pReal*constitutive_dislobased_stacksize(matID)*(1.0_pReal-sumf)) !$OMP END CRITICAL (evilmatmul) - do i=1,n - - state(ipc,ip,el)%p(3*n+i) = & - constitutive_dislobased_c1(matID)*constitutive_dislobased_Gmod(matID)*& - constitutive_dislobased_bg(matID)*sqrt(state(ipc,ip,el)%p(2*n+i)) - - state(ipc,ip,el)%p(4*n+i) = & - constitutive_dislobased_c2(matID)/sqrt(state(ipc,ip,el)%p(n+i)) - - state(ipc,ip,el)%p(5*n+i) = & - constitutive_dislobased_c3(matID)*state(ipc,ip,el)%p(4*n+i)*constitutive_dislobased_bg(matID)**2.0_pReal - - state(ipc,ip,el)%p(6*n+i) = & - (2.0_pReal*kB*Temperature*sqrt(state(ipc,ip,el)%p(2*n+i)))/& - (constitutive_dislobased_c1(matID)*constitutive_dislobased_c3(matID)*constitutive_dislobased_Gmod(matID)*& - state(ipc,ip,el)%p(4*n+i)*constitutive_dislobased_bg(matID)**3.0_pReal) - - state(ipc,ip,el)%p(7*n+i) = & - state(ipc,ip,el)%p(6*n+i)*constitutive_dislobased_bg(matID)*attack_frequency*state(ipc,ip,el)%p(4*n+i)*& - exp(-constitutive_dislobased_Qedge(matID)/(kB*Temperature)) + !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin + !$OMP CRITICAL (evilmatmul) + if (nt > 0_pInt) state(ipc,ip,el)%p((5*ns+nt+1):(5*ns+2*nt)) = & + matmul(constitutive_dislobased_hardeningMatrix_twintwin(1:nt,1:nt,matID),state(ipc,ip,el)%p((ns+1):(ns+nt)))/& + (2.0_pReal*constitutive_dislobased_stacksize(matID)*(1.0_pReal-sumf)) + !$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 + do 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)) + enddo + + !* threshold stress for dislocation motion + do i=1,ns + state(ipc,ip,el)%p(6*ns+3*nt+i) = constitutive_dislobased_Cthresholdslip(matID)*& + constitutive_dislobased_bg(matID)*constitutive_dislobased_Gmod(matID)*sqrt(state(ipc,ip,el)%p(2*ns+nt+i)) + enddo + + !* threshold stress for growing twin + do 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_bg(matID)+& + (constitutive_dislobased_bg(matID)*constitutive_dislobased_Gmod(matID))/state(ipc,ip,el)%p(5*ns+2*nt+i)) + enddo + + !* activation volume for dislocation glide + do i=1,ns + state(ipc,ip,el)%p(7*ns+4*nt+i) = constitutive_dislobased_Cactivolume(matID)*& + constitutive_dislobased_bg(matID)*constitutive_dislobased_bg(matID)*state(ipc,ip,el)%p(5*ns+2*nt+i) + enddo + + !* final twin volume after growth + do i=1,nt + state(ipc,ip,el)%p(8*ns+4*nt+i) = (pi/6.0_pReal)*constitutive_dislobased_stacksize(matID)*& + state(ipc,ip,el)%p(6*ns+2*nt+i)*state(ipc,ip,el)%p(6*ns+2*nt+i) + enddo + + !* mobile dislocation densities + do 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)) + enddo + + !* initial shear rate for slip + do 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_bg(matID)*attack_frequency*& + state(ipc,ip,el)%p(5*ns+2*nt+i)*exp(-constitutive_dislobased_Qedge(matID)/(kB*Temperature)) + enddo + end subroutine subroutine constitutive_dislobased_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperature,state,ipc,ip,el) !********************************************************************* -!* plastic velocity gradient and its tangent * +!* 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 * @@ -438,54 +709,101 @@ subroutine constitutive_dislobased_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Tempera !* - Lp : plastic velocity gradient * !* - dLp_dTstar : derivative of Lp (4th-rank tensor) * !********************************************************************* - use prec, only: pReal,pInt,p_vec - use math, only: math_Plain3333to99, math_mul6x6 - use lattice, only: lattice_Sslip,lattice_Sslip_v - use mesh, only: mesh_NcpElems,mesh_maxNips - use material, only: homogenization_maxNgrains,material_phase, phase_constitutionInstance + 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 + !* Definition of variables integer(pInt) ipc,ip,el - integer(pInt) matID,i,k,l,m,n - real(pReal) Temperature + 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_Nslip(phase_constitutionInstance(material_phase(ipc,ip,el)))) :: & + 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 - matID = phase_constitutionInstance(material_phase(ipc,ip,el)) - n = constitutive_dislobased_Nslip(matID) + !* 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 = 0.0_pReal + if (nt > 0_pInt) sumf = sum(state(ipc,ip,el)%p((ns+1):(ns+nt))) -!* Calculation of Lp Lp = 0.0_pReal - gdot_slip = 0.0_pReal - do i = 1,constitutive_dislobased_Nslip(matID) - tau_slip(i) = math_mul6x6(Tstar_v,lattice_Sslip_v(:,i,constitutive_dislobased_structure(matID))) - if ((abs(tau_slip(i))-state(ipc,ip,el)%p(3*n+i))>0) & - gdot_slip(i) = state(ipc,ip,el)%p(7*n+i)*sign(1.0_pReal,tau_slip(i))*& - sinh(((abs(tau_slip(i))-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)) - - Lp = Lp + gdot_slip(i)*lattice_Sslip(:,:,i,constitutive_dislobased_structure(matID)) - enddo - -!* Calculation of the tangent of Lp dLp_dTstar3333 = 0.0_pReal dLp_dTstar = 0.0_pReal + + !* Dislocation glide part + gdot_slip = 0.0_pReal dgdot_dtauslip = 0.0_pReal - do i = 1,constitutive_dislobased_Nslip(matID) - if ((abs(tau_slip(i))-state(ipc,ip,el)%p(3*n+i))>0) & - dgdot_dtauslip(i) = (state(ipc,ip,el)%p(7*n+i)*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)*& - cosh(((abs(tau_slip(i))-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)) - 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(i)*lattice_Sslip(k,l,i,constitutive_dislobased_structure(matID))* & - lattice_Sslip(m,n,i,constitutive_dislobased_structure(matID)) + 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(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 @@ -496,6 +814,8 @@ 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 * @@ -503,95 +823,131 @@ function constitutive_dislobased_dotState(Tstar_v,Temperature,state,ipc,ip,el) !* OUTPUT: * !* - constitutive_dotState : evolution of state variable * !********************************************************************* - use prec, only: pReal,pInt,p_vec - use lattice, only: lattice_Sslip_v - use mesh, only: mesh_NcpElems,mesh_maxNips + 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,i,n - real(pReal) Temperature,tau_slip,gdot_slip,locks,athermal_recovery,thermal_recovery + 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_Nslip(phase_constitutionInstance(material_phase(ipc,ip,el)))) :: & + 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) - matID = phase_constitutionInstance(material_phase(ipc,ip,el)) - n = constitutive_dislobased_Nslip(matID) + !* Total twin volume fraction + sumf = 0.0_pReal + if (nt > 0_pInt) sumf = sum(state(ipc,ip,el)%p((ns+1):(ns+nt))) -!* Dislocation density evolution constitutive_dislobased_dotState = 0.0_pReal - do i = 1,n - tau_slip = dot_product(Tstar_v,lattice_Sslip_v(:,i,constitutive_dislobased_structure(matID))) - if (abs(tau_slip) > state(ipc,ip,el)%p(3*n+i)) then - gdot_slip = state(ipc,ip,el)%p(7*n+i)*sign(1.0_pReal,tau_slip)*& - sinh(((abs(tau_slip)-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)) - locks = (sqrt(state(ipc,ip,el)%p(n+i))*abs(gdot_slip))/& - (constitutive_dislobased_c4(matID)*constitutive_dislobased_bg(matID)) - - athermal_recovery = constitutive_dislobased_c7(matID)*state(ipc,ip,el)%p(i)*abs(gdot_slip) - - !thermal_recovery = constitutive_dislobased_c8(matID)*abs(tau_slip)*state(ipc,ip,el)%p(i)**(2.0_pReal)*& - ! ((constitutive_dislobased_D0(matID)*constitutive_dislobased_bg(matID)**(3.0_pReal))/& - ! (kB*Temperature))*exp(-constitutive_dislobased_Qsd(matID)/(kB*Temperature)) + !* 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 - constitutive_dislobased_dotState(i) = locks - athermal_recovery - endif + !* 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_bg(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(matID)*& + exp(-(state(ipc,ip,el)%p(7*ns+3*nt+j)/tau_twin(j))**10.0_pReal) + enddo enddo return end function -!**************************************************************** -!* calculates the rate of change of temperature * -!**************************************************************** -pure function constitutive_dislobased_dotTemperature(Tstar_v,Temperature,state,ipc,ip,el) - - !*** variables and functions from other modules ***! - use prec, only: pReal,pInt,p_vec - use lattice, only: lattice_Sslip_v - use mesh, only: mesh_NcpElems,mesh_maxNips - use material, only: homogenization_maxNgrains,material_phase,phase_constitutionInstance - implicit none - - !*** input variables ***! - real(pReal), dimension(6), intent(in) :: Tstar_v ! 2nd Piola Kirchhoff stress tensor in Mandel notation - real(pReal), intent(in) :: Temperature - integer(pInt), intent(in):: ipc, & ! grain number - ip, & ! integration point number - el ! element number - type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: state ! state of the current microstructure - - !*** output variables ***! - real(pReal) constitutive_dislobased_dotTemperature ! rate of change of temparature - - ! calculate dotTemperature - constitutive_dislobased_dotTemperature = 0.0_pReal - - return -endfunction +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 math, only: math_mul6x6 - use lattice, only: lattice_Sslip_v - use mesh, only: mesh_NcpElems,mesh_maxNips + 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 @@ -599,37 +955,113 @@ pure function constitutive_dislobased_postResults(Tstar_v,Temperature,dt,state,i 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,o,i,c,n - real(pReal) tau_slip, active_rate + 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 - matID = phase_constitutionInstance(material_phase(ipc,ip,el)) - n = constitutive_dislobased_Nslip(matID) + !* 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 = 0.0_pReal + if (nt > 0_pInt) sumf = sum(state(ipc,ip,el)%p((ns+1):(ns+nt))) + + !* 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 ('dislodensity') - constitutive_dislobased_postResults(c+1:c+n) = state(ipc,ip,el)%p(1:n) - c = c + n - case ('rateofshear') - do i = 1,n - tau_slip = math_mul6x6(Tstar_v,lattice_Sslip_v(:,i,constitutive_dislobased_structure(matID))) - if ((abs(tau_slip)-state(ipc,ip,el)%p(3*n+i))>0) then - constitutive_dislobased_postResults(c+i) = state(ipc,ip,el)%p(7*n+i)*sign(1.0_pReal,tau_slip)*& - sinh(((abs(tau_slip)-state(ipc,ip,el)%p(3*n+i))*state(ipc,ip,el)%p(5*n+i))/(kB*Temperature)) - else - constitutive_dislobased_postResults(c+i) = 0.0_pReal - endif - enddo - c = c + n + + case ('state_slip') + 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 ('state_twin') + if (nt > 0_pInt) 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(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') + if (nt > 0_pInt) 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') + if (nt > 0_pInt) 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/lattice.f90 b/code/lattice.f90 index 56640ab92..b03d245c8 100644 --- a/code/lattice.f90 +++ b/code/lattice.f90 @@ -137,34 +137,34 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, & integer(pInt), target, dimension(lattice_fcc_Nslip,lattice_fcc_Ntwin) :: lattice_fcc_interactionSlipTwin = & reshape((/& - 0,0,0,1,1,0,0,1,1,1,0,1, & - 0,0,0,1,1,0,0,1,1,1,0,1, & - 0,0,0,1,1,0,0,1,1,1,0,1, & - 1,1,0,0,0,0,1,0,1,0,1,1, & - 1,1,0,0,0,0,1,0,1,0,1,1, & - 1,1,0,0,0,0,1,0,1,0,1,1, & - 0,1,1,1,0,1,0,0,0,1,1,0, & - 0,1,1,1,0,1,0,0,0,1,1,0, & - 0,1,1,1,0,1,0,0,0,1,1,0, & - 1,0,1,0,1,1,1,1,0,0,0,0, & - 1,0,1,0,1,1,1,1,0,0,0,0, & - 1,0,1,0,1,1,1,1,0,0,0,0 & + 1,1,1,2,2,1,1,2,2,2,1,2, & + 1,1,1,2,2,1,1,2,2,2,1,2, & + 1,1,1,2,2,1,1,2,2,2,1,2, & + 2,2,1,1,1,1,2,1,2,1,2,2, & + 2,2,1,1,1,1,2,1,2,1,2,2, & + 2,2,1,1,1,1,2,1,2,1,2,2, & + 1,2,2,2,1,2,1,1,1,2,2,1, & + 1,2,2,2,1,2,1,1,1,2,2,1, & + 1,2,2,2,1,2,1,1,1,2,2,1, & + 2,1,2,1,2,2,2,2,1,1,1,1, & + 2,1,2,1,2,2,2,2,1,1,1,1, & + 2,1,2,1,2,2,2,2,1,1,1,1 & /),(/lattice_fcc_Nslip,lattice_fcc_Ntwin/)) integer(pInt), target, dimension(lattice_fcc_Ntwin,lattice_fcc_Ntwin) :: lattice_fcc_interactionTwinTwin = & reshape((/& - 0,0,0,1,1,1,1,1,1,1,1,1, & - 0,0,0,1,1,1,1,1,1,1,1,1, & - 0,0,0,1,1,1,1,1,1,1,1,1, & - 1,1,1,0,0,0,1,1,1,1,1,1, & - 1,1,1,0,0,0,1,1,1,1,1,1, & - 1,1,1,0,0,0,1,1,1,1,1,1, & - 1,1,1,1,1,1,0,0,0,1,1,1, & - 1,1,1,1,1,1,0,0,0,1,1,1, & - 1,1,1,1,1,1,0,0,0,1,1,1, & - 1,1,1,1,1,1,1,1,1,0,0,0, & - 1,1,1,1,1,1,1,1,1,0,0,0, & - 1,1,1,1,1,1,1,1,1,0,0,0 & + 1,1,1,2,2,2,2,2,2,2,2,2, & + 1,1,1,2,2,2,2,2,2,2,2,2, & + 1,1,1,2,2,2,2,2,2,2,2,2, & + 2,2,2,1,1,1,2,2,2,2,2,2, & + 2,2,2,1,1,1,2,2,2,2,2,2, & + 2,2,2,1,1,1,2,2,2,2,2,2, & + 2,2,2,2,2,2,1,1,1,2,2,2, & + 2,2,2,2,2,2,1,1,1,2,2,2, & + 2,2,2,2,2,2,1,1,1,2,2,2, & + 2,2,2,2,2,2,2,2,2,1,1,1, & + 2,2,2,2,2,2,2,2,2,1,1,1, & + 2,2,2,2,2,2,2,2,2,1,1,1 & /),(/lattice_fcc_Ntwin,lattice_fcc_Ntwin/)) integer(pInt), target, dimension(lattice_fcc_Ntwin,lattice_fcc_Nslip) :: lattice_fcc_interactionTwinSlip = 0