Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development
This commit is contained in:
Martin Diehl
commit
2254746177
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@ -39,7 +39,7 @@ def srepr(arg,glue = '\n'):
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if (not hasattr(arg, "strip") and
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hasattr(arg, "__getitem__") or
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hasattr(arg, "__iter__")):
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return glue.join(srepr(x) for x in arg)
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return glue.join(str(x) for x in arg)
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return arg if isinstance(arg,str) else repr(arg)
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# -----------------------------
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@ -233,6 +233,7 @@ def leastsqBound(func, x0, args=(), bounds=None, Dfun=None, full_output=0,
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def _check_func(checker, argname, thefunc, x0, args, numinputs,
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output_shape=None):
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from numpy import shape
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"""The same as that of minpack.py"""
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res = np.atleast_1d(thefunc(*((x0[:numinputs],) + args)))
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if (output_shape is not None) and (shape(res) != output_shape):
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|
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File diff suppressed because it is too large
Load Diff
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@ -78,7 +78,8 @@ program DAMASK_spectral
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FIELD_UNDEFINED_ID, &
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FIELD_MECH_ID, &
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FIELD_THERMAL_ID, &
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FIELD_DAMAGE_ID
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FIELD_DAMAGE_ID, &
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utilities_calcPlasticity
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use spectral_mech_Basic
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use spectral_mech_AL
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use spectral_mech_Polarisation
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@ -156,6 +157,19 @@ program DAMASK_spectral
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MPI_finalize, &
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MPI_allreduce, &
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PETScFinalize
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!--------------------------------------------------------------------------------------------------
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! variables related to stop criterion for yielding
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real(pReal) :: plasticWorkOld, plasticWorkNew, & ! plastic work
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eqTotalStrainOld, eqTotalStrainNew, & ! total equivalent strain
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eqPlasticStrainOld, eqPlasticStrainNew, & ! total equivalent plastic strain
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eqStressOld, eqStressNew , & ! equivalent stress
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yieldStopValue
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real(pReal), dimension(3,3) :: yieldStress,yieldStressOld,yieldStressNew, &
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plasticStrainOld, plasticStrainNew, plasticStrainRate
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integer(pInt) :: yieldResUnit = 0_pInt
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integer(pInt) :: stressstrainUnit = 0_pInt
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character(len=13) :: stopFlag
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logical :: yieldStop, yieldStopSatisfied
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!--------------------------------------------------------------------------------------------------
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! init DAMASK (all modules)
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@ -213,6 +227,8 @@ program DAMASK_spectral
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!--------------------------------------------------------------------------------------------------
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! reading the load case and assign values to the allocated data structure
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yieldStop = .False.
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yieldStopSatisfied = .False.
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rewind(FILEUNIT)
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do
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line = IO_read(FILEUNIT)
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@ -287,10 +303,30 @@ program DAMASK_spectral
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temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j)
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enddo
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loadCases(currentLoadCase)%rotation = math_plain9to33(temp_valueVector)
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case('totalstrain')
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yieldStop = .True.
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stopFlag = 'totalStrain'
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yieldStopValue = IO_floatValue(line,chunkPos,i+1_pInt)
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case('plasticstrain')
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yieldStop = .True.
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stopFlag = 'plasticStrain'
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yieldStopValue = IO_floatValue(line,chunkPos,i+1_pInt)
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case('plasticwork')
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yieldStop = .True.
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stopFlag = 'plasticWork'
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yieldStopValue = IO_floatValue(line,chunkPos,i+1_pInt)
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end select
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enddo; enddo
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close(FILEUNIT)
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if(yieldStop) then ! initialize variables related to yield stop
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yieldStressNew = 0.0_pReal
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plasticStrainNew = 0.0_pReal
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eqStressNew = 0.0_pReal
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eqTotalStrainNew = 0.0_pReal
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eqPlasticStrainNew = 0.0_pReal
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plasticWorkNew = 0.0_pReal
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endif
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!--------------------------------------------------------------------------------------------------
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! consistency checks and output of load case
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loadCases(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first currentLoadCase
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@ -661,10 +697,76 @@ program DAMASK_spectral
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time = time + timeinc
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guess = .true.
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endif forwarding
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yieldCheck: if(yieldStop) then ! check if it yields or satisfies the certain stop condition
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yieldStressOld = yieldStressNew
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plasticStrainOld = plasticStrainNew
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eqStressOld = eqStressNew
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eqTotalStrainOld = eqTotalStrainNew
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eqPlasticStrainOld = eqPlasticStrainNew
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plasticWorkOld = plasticWorkNew
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call utilities_calcPlasticity(yieldStressNew, plasticStrainNew, eqStressNew, eqTotalStrainNew, &
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eqPlasticStrainNew, plasticWorkNew, loadCases(currentLoadCase)%rotation)
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if (worldrank == 0) then ! output the stress-strain curve to file if yield stop criterion is used
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if ((currentLoadCase == 1_pInt) .and. (inc == 1_pInt)) then
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open(newunit=stressstrainUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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'.stressstrain',form='FORMATTED',status='REPLACE')
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write(stressstrainUnit,*) 0.0_pReal, 0.0_pReal
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write(stressstrainUnit,*) eqTotalStrainNew, eqStressNew
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close(stressstrainUnit)
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else
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open(newunit=stressstrainUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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'.stressstrain',form='FORMATTED', position='APPEND', status='OLD')
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write(stressstrainUnit,*) eqTotalStrainNew, eqStressNew
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close(stressstrainUnit)
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endif
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endif
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if(stopFlag == 'totalStrain') then
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if(eqTotalStrainNew > yieldStopValue) then
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yieldStress = yieldStressOld * (eqTotalStrainNew - yieldStopValue)/(eqTotalStrainNew - eqTotalStrainOld) & ! linear interpolation of stress values
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+ yieldStressNew * (yieldStopValue - eqTotalStrainOld)/(eqTotalStrainNew - eqTotalStrainOld)
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plasticStrainRate = (plasticStrainNew - plasticStrainOld)/(time - time0) ! calculate plastic strain rate
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yieldStopSatisfied = .True.
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endif
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elseif(stopFlag == 'plasticStrain') then
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if(eqPlasticStrainNew > yieldStopValue) then
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yieldStress = yieldStressOld * (eqPlasticStrainNew - yieldStopValue)/(eqPlasticStrainNew - eqPlasticStrainOld) &
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+ yieldStressNew * (yieldStopValue - eqPlasticStrainOld)/(eqPlasticStrainNew - eqPlasticStrainOld)
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plasticStrainRate = (plasticStrainNew - plasticStrainOld)/(time - time0)
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yieldStopSatisfied = .True.
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endif
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elseif(stopFlag == 'plasticWork') then
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if(plasticWorkNew > yieldStopValue) then
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yieldStress = yieldStressOld * (plasticWorkNew - yieldStopValue)/(plasticWorkNew - plasticWorkOld) &
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+ yieldStressNew * (yieldStopValue - plasticWorkOld)/(plasticWorkNew - plasticWorkOld)
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plasticStrainRate = (plasticStrainNew - plasticStrainOld)/(time - time0)
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yieldStopSatisfied = .True.
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endif
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endif
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endif yieldCheck
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if (yieldStopSatisfied) then ! when yield, write the yield stress and strain rate to file and quit the job
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if (worldrank == 0) then
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open(newunit=yieldResUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
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'.yield',form='FORMATTED',status='REPLACE')
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do i = 1_pInt,3_pInt
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write(yieldResUnit,*) (yieldStress(i,j), j=1,3)
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enddo
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do i = 1_pInt,3_pInt
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write(yieldResUnit,*) (plasticStrainRate(i,j), j=1,3)
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enddo
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close(yieldResUnit)
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call quit(0_pInt)
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endif
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endif
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enddo incLooping
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enddo loadCaseLooping
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!--------------------------------------------------------------------------------------------------
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! report summary of whole calculation
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write(6,'(/,a)') ' ###########################################################################'
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@ -55,14 +55,14 @@ module crystallite
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crystallite_Li0, & !< intermediate velocitiy grad at start of FE inc
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crystallite_partionedLi0,& !< intermediate velocity grad at start of homog inc
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crystallite_Fe, & !< current "elastic" def grad (end of converged time step)
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crystallite_P !< 1st Piola-Kirchhoff stress per grain
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crystallite_P, & !< 1st Piola-Kirchhoff stress per grain
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crystallite_subF !< def grad to be reached at end of crystallite inc
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real(pReal), dimension(:,:,:,:,:), allocatable, private :: &
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crystallite_subFe0,& !< "elastic" def grad at start of crystallite inc
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crystallite_invFp, & !< inverse of current plastic def grad (end of converged time step)
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crystallite_subFp0,& !< plastic def grad at start of crystallite inc
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crystallite_invFi, & !< inverse of current intermediate def grad (end of converged time step)
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crystallite_subFi0,& !< intermediate def grad at start of crystallite inc
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crystallite_subF, & !< def grad to be reached at end of crystallite inc
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crystallite_subF0, & !< def grad at start of crystallite inc
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crystallite_subLp0,& !< plastic velocity grad at start of crystallite inc
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crystallite_subLi0,& !< intermediate velocity grad at start of crystallite inc
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@ -144,6 +144,7 @@ module math
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math_sampleGaussVar, &
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math_symmetricEulers, &
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math_eigenvectorBasisSym33, &
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math_eigenvectorBasisSym33_log, &
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math_eigenvectorBasisSym, &
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math_eigenValuesVectorsSym33, &
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math_eigenValuesVectorsSym, &
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@ -2117,6 +2118,70 @@ function math_eigenvectorBasisSym33(m)
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end function math_eigenvectorBasisSym33
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!--------------------------------------------------------------------------------------------------
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!> @brief logarithm eigenvector basis of symmetric 33 matrix m
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!--------------------------------------------------------------------------------------------------
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function math_eigenvectorBasisSym33_log(m)
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implicit none
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real(pReal), dimension(3,3) :: math_eigenvectorBasisSym33_log
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real(pReal), dimension(3) :: invariants, values
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real(pReal), dimension(3,3), intent(in) :: m
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real(pReal) :: P, Q, rho, phi
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real(pReal), parameter :: TOL=1.e-14_pReal
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real(pReal), dimension(3,3,3) :: N, EB
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invariants = math_invariantsSym33(m)
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EB = 0.0_pReal
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P = invariants(2)-invariants(1)**2.0_pReal/3.0_pReal
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Q = -2.0_pReal/27.0_pReal*invariants(1)**3.0_pReal+product(invariants(1:2))/3.0_pReal-invariants(3)
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threeSimilarEigenvalues: if(all(abs([P,Q]) < TOL)) then
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values = invariants(1)/3.0_pReal
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! this is not really correct, but at least the basis is correct
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EB(1,1,1)=1.0_pReal
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EB(2,2,2)=1.0_pReal
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EB(3,3,3)=1.0_pReal
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else threeSimilarEigenvalues
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rho=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal
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phi=acos(math_limit(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal))
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values = 2.0_pReal*rho**(1.0_pReal/3.0_pReal)* &
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[cos(phi/3.0_pReal), &
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cos((phi+2.0_pReal*PI)/3.0_pReal), &
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cos((phi+4.0_pReal*PI)/3.0_pReal) &
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] + invariants(1)/3.0_pReal
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N(1:3,1:3,1) = m-values(1)*math_I3
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N(1:3,1:3,2) = m-values(2)*math_I3
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N(1:3,1:3,3) = m-values(3)*math_I3
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twoSimilarEigenvalues: if(abs(values(1)-values(2)) < TOL) then
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EB(1:3,1:3,3)=math_mul33x33(N(1:3,1:3,1),N(1:3,1:3,2))/ &
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((values(3)-values(1))*(values(3)-values(2)))
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EB(1:3,1:3,1)=math_I3-EB(1:3,1:3,3)
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elseif(abs(values(2)-values(3)) < TOL) then twoSimilarEigenvalues
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EB(1:3,1:3,1)=math_mul33x33(N(1:3,1:3,2),N(1:3,1:3,3))/ &
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((values(1)-values(2))*(values(1)-values(3)))
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EB(1:3,1:3,2)=math_I3-EB(1:3,1:3,1)
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elseif(abs(values(3)-values(1)) < TOL) then twoSimilarEigenvalues
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EB(1:3,1:3,2)=math_mul33x33(N(1:3,1:3,1),N(1:3,1:3,3))/ &
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((values(2)-values(1))*(values(2)-values(3)))
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EB(1:3,1:3,1)=math_I3-EB(1:3,1:3,2)
|
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else twoSimilarEigenvalues
|
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EB(1:3,1:3,1)=math_mul33x33(N(1:3,1:3,2),N(1:3,1:3,3))/ &
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((values(1)-values(2))*(values(1)-values(3)))
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EB(1:3,1:3,2)=math_mul33x33(N(1:3,1:3,1),N(1:3,1:3,3))/ &
|
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((values(2)-values(1))*(values(2)-values(3)))
|
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EB(1:3,1:3,3)=math_mul33x33(N(1:3,1:3,1),N(1:3,1:3,2))/ &
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((values(3)-values(1))*(values(3)-values(2)))
|
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endif twoSimilarEigenvalues
|
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endif threeSimilarEigenvalues
|
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|
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math_eigenvectorBasisSym33_log = log(sqrt(values(1))) * EB(1:3,1:3,1) &
|
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+ log(sqrt(values(2))) * EB(1:3,1:3,2) &
|
||||
+ log(sqrt(values(3))) * EB(1:3,1:3,3)
|
||||
|
||||
end function math_eigenvectorBasisSym33_log
|
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|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief rotational part from polar decomposition of 33 tensor m
|
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!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
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|
|
@ -145,7 +145,8 @@ module spectral_utilities
|
|||
FIELD_UNDEFINED_ID, &
|
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FIELD_MECH_ID, &
|
||||
FIELD_THERMAL_ID, &
|
||||
FIELD_DAMAGE_ID
|
||||
FIELD_DAMAGE_ID, &
|
||||
utilities_calcPlasticity
|
||||
private :: &
|
||||
utilities_getFreqDerivative
|
||||
|
||||
|
|
@ -1047,6 +1048,125 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,timeinc, &
|
|||
|
||||
end subroutine utilities_constitutiveResponse
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates yield stress, plastic strain, total strain and their equivalent values
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine utilities_calcPlasticity(yieldStress, plasticStrain, eqStress, eqTotalStrain, &
|
||||
eqPlasticStrain, plasticWork, rotation_BC)
|
||||
use crystallite, only: &
|
||||
crystallite_Fe, &
|
||||
crystallite_P, &
|
||||
crystallite_subF
|
||||
use material, only: &
|
||||
homogenization_maxNgrains
|
||||
use mesh, only: &
|
||||
mesh_maxNips,&
|
||||
mesh_NcpElems
|
||||
use math, only: &
|
||||
math_det33, &
|
||||
math_inv33, &
|
||||
math_mul33x33, &
|
||||
math_trace33, &
|
||||
math_transpose33, &
|
||||
math_equivStrain33, &
|
||||
math_equivStress33, &
|
||||
math_rotate_forward33, &
|
||||
math_identity2nd, &
|
||||
math_crossproduct, &
|
||||
math_eigenvectorBasisSym, &
|
||||
math_eigenvectorBasisSym33, &
|
||||
math_eigenvectorBasisSym33_log, &
|
||||
math_eigenValuesVectorsSym33
|
||||
|
||||
implicit none
|
||||
|
||||
real(pReal), intent(inout) :: eqStress, eqPlasticStrain, plasticWork
|
||||
real(pReal), intent(out) :: eqTotalStrain
|
||||
real(pReal), dimension(3,3),intent(out) :: yieldStress, plasticStrain
|
||||
real(pReal), intent(in), dimension(3,3) :: rotation_BC !< rotation of load frame
|
||||
real(pReal), dimension(3,3) :: cauchy, P_av, F_av, Ve_av !< average
|
||||
real(pReal), dimension(3) :: Values, S
|
||||
real(pReal), dimension(3,3) :: Vectors, diag
|
||||
real(pReal), dimension(3,3) :: &
|
||||
Vp, F_temp, U, VT, R, V, V_total
|
||||
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||
Be, Ve, Fe
|
||||
real(pReal), dimension(15) :: WORK !< previous deformation gradient
|
||||
integer(pInt) :: INFO, i, j, k, l, ierr
|
||||
real(pReal) :: wgtm
|
||||
real(pReal) :: eqStressOld, eqPlasticStrainOld, plasticWorkOld
|
||||
|
||||
external :: dgesvd
|
||||
|
||||
eqStressOld = eqStress
|
||||
eqPlasticStrainOld = eqPlasticStrain
|
||||
plasticWorkOld = plasticWork
|
||||
wgtm = 1.0_pReal/real(mesh_NcpElems*mesh_maxNips*homogenization_maxNgrains,pReal)
|
||||
diag = 0.0_pReal
|
||||
|
||||
P_av = sum(sum(sum(crystallite_P,dim=5),dim=4),dim=3) * wgtm
|
||||
call MPI_Allreduce(MPI_IN_PLACE,P_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
P_av = math_rotate_forward33(P_av,rotation_BC)
|
||||
|
||||
F_av = sum(sum(sum(crystallite_subF,dim=5),dim=4),dim=3) * wgtm
|
||||
call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
F_av = math_rotate_forward33(F_av,rotation_BC)
|
||||
|
||||
cauchy = 1.0_pReal/math_det33(F_av)*math_mul33x33(P_av,transpose(F_av))
|
||||
yieldStress = cauchy
|
||||
eqStress = math_equivStress33(cauchy)
|
||||
|
||||
F_temp = F_av
|
||||
call dgesvd ('A', 'A', 3, 3, F_temp, 3, S, U, 3, VT, 3, WORK, 15, INFO) ! singular value decomposition
|
||||
|
||||
R = math_mul33x33(U, VT) ! rotation of polar decomposition
|
||||
V = math_mul33x33(F_av,math_inv33(R))
|
||||
|
||||
call math_eigenValuesVectorsSym33(V,Values,Vectors)
|
||||
do l = 1_pInt, 3_pInt
|
||||
if (Values(l) < 0.0_pReal) then
|
||||
Values(l) = -Values(l)
|
||||
Vectors(1:3, l) = -Vectors(1:3, l)
|
||||
endif
|
||||
Values(l) = log(Values(l))
|
||||
diag(l,l) = Values(l)
|
||||
enddo
|
||||
if (dot_product(Vectors(1:3,1),Vectors(1:3,2)) /= 0) then
|
||||
Vectors(1:3,2) = math_crossproduct(Vectors(1:3,3), Vectors(1:3,1))
|
||||
Vectors(1:3,2) = Vectors(1:3,2)/sqrt(dot_product(Vectors(1:3,2),Vectors(1:3,2)))
|
||||
endif
|
||||
if (dot_product(Vectors(1:3,2),Vectors(1:3,3)) /= 0) then
|
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Vectors(1:3,3) = math_crossproduct(Vectors(1:3,1), Vectors(1:3,2))
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Vectors(1:3,3) = Vectors(1:3,3)/sqrt(dot_product(Vectors(1:3,3),Vectors(1:3,3)))
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endif
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if (dot_product(Vectors(1:3,3),Vectors(1:3,1)) /= 0) then
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Vectors(1:3,1) = math_crossproduct(Vectors(1:3,2), Vectors(1:3,3))
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Vectors(1:3,1) = Vectors(1:3,1)/sqrt(dot_product(Vectors(1:3,1),Vectors(1:3,1)))
|
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endif
|
||||
|
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V_total = REAL(math_mul33x33(Vectors, math_mul33x33(diag, transpose(Vectors))))
|
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eqTotalStrain = math_equivStrain33(V_total)
|
||||
|
||||
do k = 1_pInt, mesh_NcpElems; do j = 1_pInt, mesh_maxNips; do i = 1_pInt,homogenization_maxNgrains
|
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Fe(1:3,1:3,i,j,k) = crystallite_Fe(1:3,1:3,i,j,k)
|
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Fe(1:3,1:3,i,j,k) = math_rotate_forward33(Fe(1:3,1:3,i,j,k),rotation_BC)
|
||||
Be(1:3,1:3,i,j,k) = math_mul33x33(Fe(1:3,1:3,i,j,k),math_transpose33(Fe(1:3,1:3,i,j,k))) ! elastic part of left Cauchy–Green deformation tensor
|
||||
Ve(1:3,1:3,i,j,k) = math_eigenvectorBasisSym33_log(Be(1:3,1:3,i,j,k))
|
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enddo; enddo; enddo
|
||||
|
||||
Ve_av = sum(sum(sum(Ve,dim=5),dim=4),dim=3) * wgtm
|
||||
call MPI_Allreduce(MPI_IN_PLACE,Ve_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||
|
||||
Vp = V_total - Ve_av
|
||||
|
||||
eqPlasticStrain = math_equivStrain33(Vp)
|
||||
|
||||
plasticStrain = Vp
|
||||
|
||||
plasticWork = plasticWorkOld + 0.5*(eqStressOld + eqStress) * (eqPlasticStrain - eqPlasticStrainOld)
|
||||
|
||||
end subroutine utilities_calcPlasticity
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates forward rate, either guessing or just add delta/timeinc
|
||||
|
|
|
|||
Loading…
Reference in New Issue