do not store dPdF at the crystallite level
This commit is contained in:
Martin Diehl
parent
7f8613f6ad
commit
57174d0aba
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@ -3,27 +3,27 @@
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homogenization:
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mech:
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RGC:
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atol: 1.0e+4 # absolute tolerance of RGC residuum (in Pa)
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rtol: 1.0e-3 # relative ...
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amax: 1.0e+10 # absolute upper-limit of RGC residuum (in Pa)
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rmax: 1.0e+2 # relative ...
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perturbpenalty: 1.0e-7 # perturbation for computing penalty tangent
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relevantmismatch: 1.0e-5 # minimum threshold of mismatch
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viscositypower: 1.0e+0 # power (sensitivity rate) of numerical viscosity in RGC scheme
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viscositymodulus: 0.0e+0 # stress modulus of RGC numerical viscosity (zero = without numerical viscosity)
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# suggestion: larger than the aTol_RGC but still far below the expected flow stress of material
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refrelaxationrate: 1.0e-3 # reference rate of relaxation (about the same magnitude as straining rate, possibly a bit higher)
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maxrelaxationrate: 1.0e+0 # threshold of maximum relaxation vector increment (if exceed this then cutback)
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maxvoldiscrepancy: 1.0e-5 # maximum allowable relative volume discrepancy
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voldiscrepancymod: 1.0e+12
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discrepancypower: 5.0
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RGC:
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atol: 1.0e+4 # absolute tolerance of RGC residuum (in Pa)
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rtol: 1.0e-3 # relative ...
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amax: 1.0e+10 # absolute upper-limit of RGC residuum (in Pa)
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rmax: 1.0e+2 # relative ...
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perturbpenalty: 1.0e-7 # perturbation for computing penalty tangent
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relevantmismatch: 1.0e-5 # minimum threshold of mismatch
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viscositypower: 1.0e+0 # power (sensitivity rate) of numerical viscosity in RGC scheme
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viscositymodulus: 0.0e+0 # stress modulus of RGC numerical viscosity (zero = without numerical viscosity)
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# suggestion: larger than the aTol_RGC but still far below the expected flow stress of material
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refrelaxationrate: 1.0e-3 # reference rate of relaxation (about the same magnitude as straining rate, possibly a bit higher)
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maxrelaxationrate: 1.0e+0 # threshold of maximum relaxation vector increment (if exceed this then cutback)
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maxvoldiscrepancy: 1.0e-5 # maximum allowable relative volume discrepancy
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voldiscrepancymod: 1.0e+12
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discrepancypower: 5.0
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generic:
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subStepMin: 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in homogenization
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subStepSize: 0.25 # size of substep when cutback introduced in homogenization (value between 0 and 1)
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stepIncrease: 1.5 # increase of next substep size when previous substep converged in homogenization (value higher than 1)
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nMPstate: 10 # materialpoint state loop limit
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subStepMin: 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in homogenization
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subStepSize: 0.25 # size of substep when cutback introduced in homogenization (value between 0 and 1)
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stepIncrease: 1.5 # increase of next substep size when previous substep converged in homogenization (value higher than 1)
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nMPstate: 10 # materialpoint state loop limit
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grid:
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eps_div_atol: 1.0e-3 # absolute tolerance for fulfillment of stress equilibrium
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@ -39,30 +39,30 @@ grid:
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itmax: 250 # Maximum iteration number
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itmin: 2 # Minimum iteration number
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fftw_timelimit: -1.0 # timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit
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fftw_plan_mode: FFTW_PATIENT # reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
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maxCutBack: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
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maxStaggeredIter: 10 # max number of field level staggered iterations
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fftw_plan_mode: FFTW_PATIENT # reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
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maxCutBack: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
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maxStaggeredIter: 10 # max number of field level staggered iterations
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memory_efficient: 1 # Precalculate Gamma-operator (81 double per point)
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update_gamma: false # Update Gamma-operator with current dPdF (not possible if memory_efficient=1)
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divergence_correction: 2 # Use size-independent divergence criterion
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divergence_correction: 2 # Use size-independent divergence criterion
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derivative: continuous # Approximation used for derivatives in Fourier space
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solver: Basic # Type of spectral solver (BasicPETSc/Polarisation/FEM)
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petsc_options: -snes_type ngmres -snes_ngmres_anderson # PetSc solver options
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alpha: 1.0 # polarization scheme parameter 0.0 < alpha < 2.0. alpha = 1.0 ==> AL scheme, alpha = 2.0 ==> accelerated scheme
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beta: 1.0 # polarization scheme parameter 0.0 < beta < 2.0. beta = 1.0 ==> AL scheme, beta = 2.0 ==> accelerated scheme
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alpha: 1.0 # polarization scheme parameter 0.0 < alpha < 2.0. alpha = 1.0 ==> AL scheme, alpha = 2.0 ==> accelerated scheme
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beta: 1.0 # polarization scheme parameter 0.0 < beta < 2.0. beta = 1.0 ==> AL scheme, beta = 2.0 ==> accelerated scheme
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mesh:
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maxCutBack: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
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maxStaggeredIter: 10 # max number of field level staggered iterations
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maxCutBack: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
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maxStaggeredIter: 10 # max number of field level staggered iterations
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structorder: 2 # order of displacement shape functions (when mesh is defined)
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bbarstabilisation: false
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bbarstabilisation: false
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integrationorder: 2 # order of quadrature rule required (when mesh is defined)
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itmax: 250 # Maximum iteration number
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itmin: 2 # Minimum iteration number
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eps_struct_atol: 1.0e-10 # absolute tolerance for mechanical equilibrium
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eps_struct_rtol: 1.0e-4 # relative tolerance for mechanical equilibrium
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crystallite:
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subStepMin: 1.0e-3 # minimum (relative) size of sub-step allowed during cutback in crystallite
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subStepSize: 0.25 # size of substep when cutback introduced in crystallite (value between 0 and 1)
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@ -84,5 +84,3 @@ generic:
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charLength: 1.0 # characteristic length scale for gradient problems.
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random_seed: 0 # fixed seeding for pseudo-random number generator, Default 0: use random seed.
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residualStiffness: 1.0e-6 # non-zero residual damage.
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@ -69,8 +69,6 @@ module crystallite
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real(pReal), dimension(:,:,:,:,:), allocatable, public :: &
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crystallite_partionedF !< def grad to be reached at end of homog inc
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real(pReal), dimension(:,:,:,:,:,:,:), allocatable, public, protected :: &
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crystallite_dPdF !< current individual dPdF per grain (end of converged time step)
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logical, dimension(:,:,:), allocatable, public :: &
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crystallite_requested !< used by upper level (homogenization) to request crystallite calculation
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logical, dimension(:,:,:), allocatable :: &
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@ -183,8 +181,6 @@ subroutine crystallite_init
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crystallite_subFp0,crystallite_subFi0, &
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source = crystallite_partionedF)
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allocate(crystallite_dPdF(3,3,3,3,cMax,iMax,eMax),source=0.0_pReal)
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allocate(crystallite_dt(cMax,iMax,eMax),source=0.0_pReal)
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allocate(crystallite_subdt,crystallite_subFrac,crystallite_subStep, &
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source = crystallite_dt)
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@ -293,7 +289,6 @@ subroutine crystallite_init
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!$OMP END PARALLEL DO
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devNull = crystallite_stress()
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call crystallite_stressTangent
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#ifdef DEBUG
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if (debugCrystallite%basic) then
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@ -566,12 +561,14 @@ end subroutine crystallite_restore
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!--------------------------------------------------------------------------------------------------
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!> @brief Calculate tangent (dPdF).
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_stressTangent
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function crystallite_stressTangent(c,i,e) result(dPdF)
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integer :: &
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real(pReal), dimension(3,3,3,3) :: dPdF
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integer, intent(in) :: &
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c, & !< counter in constituent loop
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i, & !< counter in integration point loop
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e, & !< counter in element loop
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e !< counter in element loop
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integer :: &
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o, &
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p
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@ -593,12 +590,6 @@ subroutine crystallite_stressTangent
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real(pReal), dimension(9,9):: temp_99
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logical :: error
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!$OMP PARALLEL DO PRIVATE(dSdF,dSdFe,dSdFi,dLpdS,dLpdFi,dFpinvdF,dLidS,dLidFi,dFidS,o,p, &
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!$OMP invSubFp0,invSubFi0,invFp,invFi, &
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!$OMP rhs_3333,lhs_3333,temp_99,temp_33_1,temp_33_2,temp_33_3,temp_33_4,temp_3333,error)
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elementLooping: do e = FEsolving_execElem(1),FEsolving_execElem(2)
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do i = FEsolving_execIP(1),FEsolving_execIP(2)
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do c = 1,homogenization_Ngrains(material_homogenizationAt(e))
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call constitutive_SandItsTangents(devNull,dSdFe,dSdFi, &
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crystallite_Fe(1:3,1:3,c,i,e), &
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@ -679,24 +670,20 @@ subroutine crystallite_stressTangent
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temp_33_3 = matmul(crystallite_subF(1:3,1:3,c,i,e),invFp)
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temp_33_4 = matmul(temp_33_3,crystallite_S(1:3,1:3,c,i,e))
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crystallite_dPdF(1:3,1:3,1:3,1:3,c,i,e) = 0.0_pReal
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dPdF = 0.0_pReal
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do p=1,3
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crystallite_dPdF(p,1:3,p,1:3,c,i,e) = transpose(temp_33_2)
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dPdF(p,1:3,p,1:3) = transpose(temp_33_2)
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enddo
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do o=1,3; do p=1,3
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crystallite_dPdF(1:3,1:3,p,o,c,i,e) = crystallite_dPdF(1:3,1:3,p,o,c,i,e) &
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+ matmul(matmul(crystallite_subF(1:3,1:3,c,i,e), &
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dFpinvdF(1:3,1:3,p,o)),temp_33_1) &
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+ matmul(matmul(temp_33_3,dSdF(1:3,1:3,p,o)), &
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transpose(invFp)) &
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+ matmul(temp_33_4,transpose(dFpinvdF(1:3,1:3,p,o)))
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dPdF(1:3,1:3,p,o) = dPdF(1:3,1:3,p,o) &
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+ matmul(matmul(crystallite_subF(1:3,1:3,c,i,e), &
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dFpinvdF(1:3,1:3,p,o)),temp_33_1) &
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+ matmul(matmul(temp_33_3,dSdF(1:3,1:3,p,o)), &
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transpose(invFp)) &
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+ matmul(temp_33_4,transpose(dFpinvdF(1:3,1:3,p,o)))
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enddo; enddo
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enddo; enddo
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enddo elementLooping
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!$OMP END PARALLEL DO
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end subroutine crystallite_stressTangent
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end function crystallite_stressTangent
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!--------------------------------------------------------------------------------------------------
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@ -374,8 +374,6 @@ subroutine materialpoint_stressAndItsTangent(dt)
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enddo cutBackLooping
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call crystallite_stressTangent
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if (.not. terminallyIll ) then
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call crystallite_orientations() ! calculate crystal orientations
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!$OMP PARALLEL DO
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@ -437,11 +435,16 @@ function updateState(subdt,subF,ip,el)
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integer, intent(in) :: &
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ip, & !< integration point
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el !< element number
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integer :: c
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logical, dimension(2) :: updateState
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real(pReal) :: dPdFs(3,3,3,3,homogenization_Ngrains(material_homogenizationAt(el)))
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updateState = .true.
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chosenHomogenization: select case(homogenization_type(material_homogenizationAt(el)))
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case (HOMOGENIZATION_RGC_ID) chosenHomogenization
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do c=1,homogenization_Ngrains(material_homogenizationAt(el))
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dPdFs(:,:,:,:,c) = crystallite_stressTangent(c,ip,el)
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enddo
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updateState = &
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updateState .and. &
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mech_RGC_updateState(crystallite_P(1:3,1:3,1:homogenization_Ngrains(material_homogenizationAt(el)),ip,el), &
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@ -449,7 +452,7 @@ function updateState(subdt,subF,ip,el)
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crystallite_partionedF0(1:3,1:3,1:homogenization_Ngrains(material_homogenizationAt(el)),ip,el),&
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subF,&
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subdt, &
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crystallite_dPdF(1:3,1:3,1:3,1:3,1:homogenization_Ngrains(material_homogenizationAt(el)),ip,el), &
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dPdFs, &
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ip, &
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el)
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end select chosenHomogenization
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@ -483,26 +486,35 @@ subroutine averageStressAndItsTangent(ip,el)
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integer, intent(in) :: &
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ip, & !< integration point
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el !< element number
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integer :: c
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real(pReal) :: dPdFs(3,3,3,3,homogenization_Ngrains(material_homogenizationAt(el)))
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chosenHomogenization: select case(homogenization_type(material_homogenizationAt(el)))
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case (HOMOGENIZATION_NONE_ID) chosenHomogenization
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materialpoint_P(1:3,1:3,ip,el) = crystallite_P(1:3,1:3,1,ip,el)
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materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el) = crystallite_dPdF(1:3,1:3,1:3,1:3,1,ip,el)
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materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el) = crystallite_stressTangent(1,ip,el)
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case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization
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do c = 1, homogenization_Ngrains(material_homogenizationAt(el))
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dPdFs(:,:,:,:,c) = crystallite_stressTangent(c,ip,el)
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enddo
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call mech_isostrain_averageStressAndItsTangent(&
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materialpoint_P(1:3,1:3,ip,el), &
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materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el),&
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crystallite_P(1:3,1:3,1:homogenization_Ngrains(material_homogenizationAt(el)),ip,el), &
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crystallite_dPdF(1:3,1:3,1:3,1:3,1:homogenization_Ngrains(material_homogenizationAt(el)),ip,el), &
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dPdFs, &
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homogenization_typeInstance(material_homogenizationAt(el)))
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case (HOMOGENIZATION_RGC_ID) chosenHomogenization
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do c = 1, homogenization_Ngrains(material_homogenizationAt(el))
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dPdFs(:,:,:,:,c) = crystallite_stressTangent(c,ip,el)
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enddo
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call mech_RGC_averageStressAndItsTangent(&
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materialpoint_P(1:3,1:3,ip,el), &
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materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el),&
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crystallite_P(1:3,1:3,1:homogenization_Ngrains(material_homogenizationAt(el)),ip,el), &
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crystallite_dPdF(1:3,1:3,1:3,1:3,1:homogenization_Ngrains(material_homogenizationAt(el)),ip,el), &
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dPdFs, &
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homogenization_typeInstance(material_homogenizationAt(el)))
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end select chosenHomogenization
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