Merge remote-tracking branch 'remotes/origin/improve-Lp-guessing' into development
This commit is contained in:
Franz Roters
commit
d29967d8b2
2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit aadf2d82a7e04646e3f20c3d526f27a6f90acef0
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Subproject commit 183d7a3a3bafa0a308c3eac858ca03c08fc03d50
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@ -21,8 +21,7 @@ module crystallite
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homogenization_Ngrains
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use future
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implicit none
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implicit none
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private
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character(len=64), dimension(:,:), allocatable, private :: &
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crystallite_output !< name of each post result output
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@ -111,6 +110,24 @@ module crystallite
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end type tOutput
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type(tOutput), allocatable, dimension(:), private :: output_constituent
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type, private :: tNumerics
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integer :: &
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iJacoLpresiduum, & !< frequency of Jacobian update of residuum in Lp
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nState, & !< state loop limit
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nStress !< stress loop limit
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real(pReal) :: &
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subStepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback
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subStepSizeCryst, & !< size of first substep when cutback
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subStepSizeLp, & !< size of first substep when cutback in Lp calculation
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subStepSizeLi, & !< size of first substep when cutback in Li calculation
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stepIncreaseCryst, & !< increase of next substep size when previous substep converged
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rTol_crystalliteState, & !< relative tolerance in state loop
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rTol_crystalliteStress, & !< relative tolerance in stress loop
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aTol_crystalliteStress !< absolute tolerance in stress loop
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end type tNumerics
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type(tNumerics) :: num ! numerics parameters. Better name?
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procedure(), pointer :: integrateState
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public :: &
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@ -165,14 +182,13 @@ subroutine crystallite_init
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use config, only: &
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config_deallocate, &
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config_crystallite, &
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config_numerics, &
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config_phase, &
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crystallite_name
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use constitutive, only: &
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constitutive_initialFi, &
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constitutive_microstructure ! derived (shortcut) quantities of given state
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implicit none
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integer, parameter :: FILEUNIT=434
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logical, dimension(:,:), allocatable :: devNull
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integer :: &
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@ -242,6 +258,38 @@ subroutine crystallite_init
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allocate(crystallite_sizePostResults(size(config_crystallite)),source=0)
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allocate(crystallite_sizePostResult(maxval(crystallite_Noutput), &
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size(config_crystallite)), source=0)
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num%subStepMinCryst = config_numerics%getFloat('substepmincryst', defaultVal=1.0e-3_pReal)
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num%subStepSizeCryst = config_numerics%getFloat('substepsizecryst', defaultVal=0.25_pReal)
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num%stepIncreaseCryst = config_numerics%getFloat('stepincreasecryst', defaultVal=1.5_pReal)
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num%subStepSizeLp = config_numerics%getFloat('substepsizelp', defaultVal=0.5_pReal)
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num%subStepSizeLi = config_numerics%getFloat('substepsizeli', defaultVal=0.5_pReal)
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num%rTol_crystalliteState = config_numerics%getFloat('rtol_crystallitestate', defaultVal=1.0e-6_pReal)
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num%rTol_crystalliteStress = config_numerics%getFloat('rtol_crystallitestress',defaultVal=1.0e-6_pReal)
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num%aTol_crystalliteStress = config_numerics%getFloat('atol_crystallitestress',defaultVal=1.0e-8_pReal)
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num%iJacoLpresiduum = config_numerics%getInt ('ijacolpresiduum', defaultVal=1)
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num%nState = config_numerics%getInt ('nstate', defaultVal=20)
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num%nStress = config_numerics%getInt ('nstress', defaultVal=40)
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if(num%subStepMinCryst <= 0.0_pReal) call IO_error(301,ext_msg='subStepMinCryst')
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if(num%subStepSizeCryst <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeCryst')
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if(num%stepIncreaseCryst <= 0.0_pReal) call IO_error(301,ext_msg='stepIncreaseCryst')
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if(num%subStepSizeLp <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeLp')
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if(num%subStepSizeLi <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeLi')
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if(num%rTol_crystalliteState <= 0.0_pReal) call IO_error(301,ext_msg='rTol_crystalliteState')
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if(num%rTol_crystalliteStress <= 0.0_pReal) call IO_error(301,ext_msg='rTol_crystalliteStress')
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if(num%aTol_crystalliteStress <= 0.0_pReal) call IO_error(301,ext_msg='aTol_crystalliteStress')
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if(num%iJacoLpresiduum < 1) call IO_error(301,ext_msg='iJacoLpresiduum')
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if(num%nState < 1) call IO_error(301,ext_msg='nState')
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if(num%nStress< 1) call IO_error(301,ext_msg='nStress')
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select case(numerics_integrator)
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case(1)
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@ -433,10 +481,6 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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use prec, only: &
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tol_math_check, &
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dNeq0
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use numerics, only: &
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subStepMinCryst, &
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subStepSizeCryst, &
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stepIncreaseCryst
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#ifdef DEBUG
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use debug, only: &
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debug_level, &
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@ -463,7 +507,6 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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phase_Nsources, &
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phaseAt, phasememberAt
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implicit none
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logical, dimension(theMesh%elem%nIPs,theMesh%Nelems) :: crystallite_stress
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real(pReal), intent(in), optional :: &
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dummyArgumentToPreventInternalCompilerErrorWithGCC
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@ -519,7 +562,7 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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crystallite_subF0(1:3,1:3,c,i,e) = crystallite_partionedF0(1:3,1:3,c,i,e)
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crystallite_subS0(1:3,1:3,c,i,e) = crystallite_partionedS0(1:3,1:3,c,i,e)
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crystallite_subFrac(c,i,e) = 0.0_pReal
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crystallite_subStep(c,i,e) = 1.0_pReal/subStepSizeCryst
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crystallite_subStep(c,i,e) = 1.0_pReal/num%subStepSizeCryst
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crystallite_todo(c,i,e) = .true.
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crystallite_converged(c,i,e) = .false. ! pretend failed step of 1/subStepSizeCryst
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endif homogenizationRequestsCalculation
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@ -554,7 +597,7 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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formerSubStep = crystallite_subStep(c,i,e)
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crystallite_subFrac(c,i,e) = crystallite_subFrac(c,i,e) + crystallite_subStep(c,i,e)
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crystallite_subStep(c,i,e) = min(1.0_pReal - crystallite_subFrac(c,i,e), &
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stepIncreaseCryst * crystallite_subStep(c,i,e))
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num%stepIncreaseCryst * crystallite_subStep(c,i,e))
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crystallite_todo(c,i,e) = crystallite_subStep(c,i,e) > 0.0_pReal ! still time left to integrate on?
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if (crystallite_todo(c,i,e)) then
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@ -584,7 +627,7 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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!--------------------------------------------------------------------------------------------------
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! cut back (reduced time and restore)
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else
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crystallite_subStep(c,i,e) = subStepSizeCryst * crystallite_subStep(c,i,e)
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crystallite_subStep(c,i,e) = num%subStepSizeCryst * crystallite_subStep(c,i,e)
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crystallite_Fp (1:3,1:3,c,i,e) = crystallite_subFp0(1:3,1:3,c,i,e)
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crystallite_invFp(1:3,1:3,c,i,e) = math_inv33(crystallite_Fp (1:3,1:3,c,i,e))
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crystallite_Fi (1:3,1:3,c,i,e) = crystallite_subFi0(1:3,1:3,c,i,e)
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@ -602,7 +645,7 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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enddo
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! cant restore dotState here, since not yet calculated in first cutback after initialization
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crystallite_todo(c,i,e) = crystallite_subStep(c,i,e) > subStepMinCryst ! still on track or already done (beyond repair)
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crystallite_todo(c,i,e) = crystallite_subStep(c,i,e) > num%subStepMinCryst ! still on track or already done (beyond repair)
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0 &
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.and. ((e == debug_e .and. i == debug_i .and. c == debug_g) &
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@ -652,7 +695,7 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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!--------------------------------------------------------------------------------------------------
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! integrate --- requires fully defined state array (basic + dependent state)
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if (any(crystallite_todo)) call integrateState ! TODO: unroll into proper elementloop to avoid N^2 for single point evaluation
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where(.not. crystallite_converged .and. crystallite_subStep > subStepMinCryst) & ! do not try non-converged but fully cutbacked any further
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where(.not. crystallite_converged .and. crystallite_subStep > num%subStepMinCryst) & ! do not try non-converged but fully cutbacked any further
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crystallite_todo = .true. ! TODO: again unroll this into proper elementloop to avoid N^2 for single point evaluation
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@ -702,7 +745,7 @@ end function crystallite_stress
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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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subroutine crystallite_stressTangent
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use prec, only: &
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tol_math_check, &
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dNeq0
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@ -728,7 +771,6 @@ subroutine crystallite_stressTangent()
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constitutive_LpAndItsTangents, &
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constitutive_LiAndItsTangents
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implicit none
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integer :: &
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c, & !< counter in integration point component loop
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i, & !< counter in integration point loop
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@ -882,7 +924,6 @@ subroutine crystallite_orientations
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use plastic_nonlocal, only: &
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plastic_nonlocal_updateCompatibility
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implicit none
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integer &
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c, & !< counter in integration point component loop
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i, & !< counter in integration point loop
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@ -919,7 +960,6 @@ function crystallite_push33ToRef(ipc,ip,el, tensor33)
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use material, only: &
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material_EulerAngles ! ToDo: Why stored? We also have crystallite_orientation0
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implicit none
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real(pReal), dimension(3,3) :: crystallite_push33ToRef
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real(pReal), dimension(3,3), intent(in) :: tensor33
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real(pReal), dimension(3,3) :: T
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@ -962,7 +1002,6 @@ function crystallite_postResults(ipc, ip, el)
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use rotations, only: &
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rotation
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implicit none
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integer, intent(in):: &
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el, & !< element index
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ip, & !< integration point index
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@ -1089,7 +1128,6 @@ subroutine crystallite_results
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use material, only: &
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material_phase_plasticity_type => phase_plasticity
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implicit none
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integer :: p,o
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real(pReal), allocatable, dimension(:,:,:) :: selected_tensors
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type(rotation), allocatable, dimension(:) :: selected_rotations
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@ -1233,12 +1271,6 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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IEEE_arithmetic
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use prec, only: tol_math_check, &
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dEq0
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use numerics, only: nStress, &
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aTol_crystalliteStress, &
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rTol_crystalliteStress, &
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iJacoLpresiduum, &
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subStepSizeLp, &
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subStepSizeLi
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#ifdef DEBUG
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use debug, only: debug_level, &
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debug_e, &
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@ -1263,7 +1295,6 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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math_33to9, &
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math_9to33
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implicit none
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integer, intent(in):: el, & ! element index
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ip, & ! integration point index
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ipc ! grain index
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@ -1382,10 +1413,10 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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LiLoop: do
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NiterationStressLi = NiterationStressLi + 1
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LiLoopLimit: if (NiterationStressLi > nStress) then
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LiLoopLimit: if (NiterationStressLi > num%nStress) then
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0) &
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write(6,'(a,i3,a,i8,1x,i2,1x,i3,/)') '<< CRYST integrateStress >> reached Li loop limit',nStress, &
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write(6,'(a,i3,a,i8,1x,i2,1x,i3,/)') '<< CRYST integrateStress >> reached Li loop limit',num%nStress, &
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' at el ip ipc ', el,ip,ipc
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#endif
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return
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@ -1404,10 +1435,10 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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LpLoop: do
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NiterationStressLp = NiterationStressLp + 1
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LpLoopLimit: if (NiterationStressLp > nStress) then
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LpLoopLimit: if (NiterationStressLp > num%nStress) then
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0) &
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write(6,'(a,i3,a,i8,1x,i2,1x,i3,/)') '<< CRYST integrateStress >> reached Lp loop limit',nStress, &
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write(6,'(a,i3,a,i8,1x,i2,1x,i3,/)') '<< CRYST integrateStress >> reached Lp loop limit',num%nStress, &
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' at el ip ipc ', el,ip,ipc
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#endif
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return
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@ -1438,8 +1469,8 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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#endif
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!* update current residuum and check for convergence of loop
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aTolLp = max(rTol_crystalliteStress * max(norm2(Lpguess),norm2(Lp_constitutive)), & ! absolute tolerance from largest acceptable relative error
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aTol_crystalliteStress) ! minimum lower cutoff
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aTolLp = max(num%rTol_crystalliteStress * max(norm2(Lpguess),norm2(Lp_constitutive)), & ! absolute tolerance from largest acceptable relative error
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num%aTol_crystalliteStress) ! minimum lower cutoff
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residuumLp = Lpguess - Lp_constitutive
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if (any(IEEE_is_NaN(residuumLp))) then
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@ -1459,7 +1490,7 @@ logical function integrateStress(ipc,ip,el,timeFraction)
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Lpguess_old = Lpguess
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steplengthLp = 1.0_pReal ! ...proceed with normal step length (calculate new search direction)
|
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else ! not converged and residuum not improved...
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steplengthLp = subStepSizeLp * steplengthLp ! ...try with smaller step length in same direction
|
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steplengthLp = num%subStepSizeLp * steplengthLp ! ...try with smaller step length in same direction
|
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Lpguess = Lpguess_old + steplengthLp * deltaLp
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#ifdef DEBUG
|
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0 &
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@ -1473,7 +1504,7 @@ logical function integrateStress(ipc,ip,el,timeFraction)
|
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|
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!* calculate Jacobian for correction term
|
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if (mod(jacoCounterLp, iJacoLpresiduum) == 0) then
|
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if (mod(jacoCounterLp, num%iJacoLpresiduum) == 0) then
|
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do o=1,3; do p=1,3
|
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dFe_dLp(o,1:3,p,1:3) = A(o,p)*transpose(invFi_new) ! dFe_dLp(i,j,k,l) = -dt * A(i,k) invFi(l,j)
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enddo; enddo
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|
@ -1537,8 +1568,8 @@ logical function integrateStress(ipc,ip,el,timeFraction)
|
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#endif
|
||||
|
||||
!* update current residuum and check for convergence of loop
|
||||
aTolLi = max(rTol_crystalliteStress * max(norm2(Liguess),norm2(Li_constitutive)), & ! absolute tolerance from largest acceptable relative error
|
||||
aTol_crystalliteStress) ! minimum lower cutoff
|
||||
aTolLi = max(num%rTol_crystalliteStress * max(norm2(Liguess),norm2(Li_constitutive)), & ! absolute tolerance from largest acceptable relative error
|
||||
num%aTol_crystalliteStress) ! minimum lower cutoff
|
||||
residuumLi = Liguess - Li_constitutive
|
||||
if (any(IEEE_is_NaN(residuumLi))) then ! NaN in residuum...
|
||||
#ifdef DEBUG
|
||||
|
|
@ -1557,13 +1588,13 @@ logical function integrateStress(ipc,ip,el,timeFraction)
|
|||
Liguess_old = Liguess
|
||||
steplengthLi = 1.0_pReal ! ...proceed with normal step length (calculate new search direction)
|
||||
else ! not converged and residuum not improved...
|
||||
steplengthLi = subStepSizeLi * steplengthLi ! ...try with smaller step length in same direction
|
||||
steplengthLi = num%subStepSizeLi * steplengthLi ! ...try with smaller step length in same direction
|
||||
Liguess = Liguess_old + steplengthLi * deltaLi
|
||||
cycle LiLoop
|
||||
endif
|
||||
|
||||
!* calculate Jacobian for correction term
|
||||
if (mod(jacoCounterLi, iJacoLpresiduum) == 0) then
|
||||
if (mod(jacoCounterLi, num%iJacoLpresiduum) == 0) then
|
||||
temp_33 = matmul(matmul(A,B),invFi_current)
|
||||
do o=1,3; do p=1,3
|
||||
dFe_dLi(1:3,o,1:3,p) = -dt*math_I3(o,p)*temp_33 ! dFe_dLp(i,j,k,l) = -dt * A(i,k) invFi(l,j)
|
||||
|
|
@ -1661,7 +1692,7 @@ end function integrateStress
|
|||
!> @brief integrate stress, state with adaptive 1st order explicit Euler method
|
||||
!> using Fixed Point Iteration to adapt the stepsize
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine integrateStateFPI()
|
||||
subroutine integrateStateFPI
|
||||
#ifdef DEBUG
|
||||
use debug, only: debug_level, &
|
||||
debug_e, &
|
||||
|
|
@ -1672,8 +1703,6 @@ subroutine integrateStateFPI()
|
|||
debug_levelExtensive, &
|
||||
debug_levelSelective
|
||||
#endif
|
||||
use numerics, only: &
|
||||
nState
|
||||
use mesh, only: &
|
||||
mesh_element
|
||||
use material, only: &
|
||||
|
|
@ -1686,8 +1715,6 @@ subroutine integrateStateFPI()
|
|||
constitutive_plasticity_maxSizeDotState, &
|
||||
constitutive_source_maxSizeDotState
|
||||
|
||||
implicit none
|
||||
|
||||
integer :: &
|
||||
NiterationState, & !< number of iterations in state loop
|
||||
e, & !< element index in element loop
|
||||
|
|
@ -1712,7 +1739,7 @@ subroutine integrateStateFPI()
|
|||
|
||||
NiterationState = 0
|
||||
doneWithIntegration = .false.
|
||||
crystalliteLooping: do while (.not. doneWithIntegration .and. NiterationState < nState)
|
||||
crystalliteLooping: do while (.not. doneWithIntegration .and. NiterationState < num%nState)
|
||||
NiterationState = NiterationState + 1
|
||||
|
||||
#ifdef DEBUG
|
||||
|
|
@ -1852,7 +1879,6 @@ subroutine integrateStateFPI()
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) pure function damper(current,previous,previous2)
|
||||
|
||||
implicit none
|
||||
real(pReal), dimension(:), intent(in) ::&
|
||||
current, previous, previous2
|
||||
|
||||
|
|
@ -1874,12 +1900,10 @@ end subroutine integrateStateFPI
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief integrate state with 1st order explicit Euler method
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine integrateStateEuler()
|
||||
subroutine integrateStateEuler
|
||||
use material, only: &
|
||||
plasticState
|
||||
|
||||
implicit none
|
||||
|
||||
call update_dotState(1.0_pReal)
|
||||
call update_state(1.0_pReal)
|
||||
call update_deltaState
|
||||
|
|
@ -1894,7 +1918,7 @@ end subroutine integrateStateEuler
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief integrate stress, state with 1st order Euler method with adaptive step size
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine integrateStateAdaptiveEuler()
|
||||
subroutine integrateStateAdaptiveEuler
|
||||
use mesh, only: &
|
||||
theMesh, &
|
||||
mesh_element
|
||||
|
|
@ -1909,7 +1933,6 @@ subroutine integrateStateAdaptiveEuler()
|
|||
constitutive_plasticity_maxSizeDotState, &
|
||||
constitutive_source_maxSizeDotState
|
||||
|
||||
implicit none
|
||||
integer :: &
|
||||
e, & ! element index in element loop
|
||||
i, & ! integration point index in ip loop
|
||||
|
|
@ -2001,7 +2024,7 @@ end subroutine integrateStateAdaptiveEuler
|
|||
!> @brief integrate stress, state with 4th order explicit Runge Kutta method
|
||||
! ToDo: This is totally BROKEN: RK4dotState is never used!!!
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine integrateStateRK4()
|
||||
subroutine integrateStateRK4
|
||||
use mesh, only: &
|
||||
mesh_element
|
||||
use material, only: &
|
||||
|
|
@ -2011,7 +2034,6 @@ subroutine integrateStateRK4()
|
|||
phase_Nsources, &
|
||||
phaseAt, phasememberAt
|
||||
|
||||
implicit none
|
||||
real(pReal), dimension(4), parameter :: &
|
||||
TIMESTEPFRACTION = [0.5_pReal, 0.5_pReal, 1.0_pReal, 1.0_pReal] ! factor giving the fraction of the original timestep used for Runge Kutta Integration
|
||||
real(pReal), dimension(4), parameter :: &
|
||||
|
|
@ -2069,7 +2091,7 @@ end subroutine integrateStateRK4
|
|||
!> @brief integrate stress, state with 5th order Runge-Kutta Cash-Karp method with
|
||||
!> adaptive step size (use 5th order solution to advance = "local extrapolation")
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine integrateStateRKCK45()
|
||||
subroutine integrateStateRKCK45
|
||||
use mesh, only: &
|
||||
mesh_element, &
|
||||
theMesh
|
||||
|
|
@ -2084,7 +2106,6 @@ subroutine integrateStateRKCK45()
|
|||
constitutive_plasticity_maxSizeDotState, &
|
||||
constitutive_source_maxSizeDotState
|
||||
|
||||
implicit none
|
||||
real(pReal), dimension(5,5), parameter :: &
|
||||
A = reshape([&
|
||||
.2_pReal, .075_pReal, .3_pReal, -11.0_pReal/54.0_pReal, 1631.0_pReal/55296.0_pReal, &
|
||||
|
|
@ -2252,9 +2273,7 @@ end subroutine integrateStateRKCK45
|
|||
!> @brief sets convergence flag for nonlocal calculations
|
||||
!> @detail one non-converged nonlocal sets all other nonlocals to non-converged to trigger cut back
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine nonlocalConvergenceCheck()
|
||||
|
||||
implicit none
|
||||
subroutine nonlocalConvergenceCheck
|
||||
|
||||
if (any(.not. crystallite_converged .and. .not. crystallite_localPlasticity)) & ! any non-local not yet converged (or broken)...
|
||||
where( .not. crystallite_localPlasticity) crystallite_converged = .false.
|
||||
|
|
@ -2267,10 +2286,10 @@ end subroutine nonlocalConvergenceCheck
|
|||
! still .true. is considered as converged
|
||||
!> @details: For explicitEuler, RK4 and RKCK45, adaptive Euler and FPI have their on criteria
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine setConvergenceFlag()
|
||||
subroutine setConvergenceFlag
|
||||
use mesh, only: &
|
||||
mesh_element
|
||||
implicit none
|
||||
|
||||
integer :: &
|
||||
e, & !< element index in element loop
|
||||
i, & !< integration point index in ip loop
|
||||
|
|
@ -2291,14 +2310,13 @@ end subroutine setConvergenceFlag
|
|||
!> @brief determines whether a point is converged
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
logical pure function converged(residuum,state,aTol)
|
||||
use prec, only: &
|
||||
dEq0
|
||||
use numerics, only: &
|
||||
rTol => rTol_crystalliteState
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in), dimension(:) ::&
|
||||
residuum, state, aTol
|
||||
real(pReal) :: &
|
||||
rTol
|
||||
|
||||
rTol = num%rTol_crystalliteState
|
||||
|
||||
converged = all(abs(residuum) <= max(aTol, rTol*abs(state)))
|
||||
|
||||
|
|
@ -2311,7 +2329,7 @@ end subroutine setConvergenceFlag
|
|||
subroutine update_stress(timeFraction)
|
||||
use mesh, only: &
|
||||
mesh_element
|
||||
implicit none
|
||||
|
||||
real(pReal), intent(in) :: &
|
||||
timeFraction
|
||||
integer :: &
|
||||
|
|
@ -2341,13 +2359,12 @@ end subroutine update_stress
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief tbd
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine update_dependentState()
|
||||
subroutine update_dependentState
|
||||
use mesh, only: &
|
||||
mesh_element
|
||||
use constitutive, only: &
|
||||
constitutive_dependentState => constitutive_microstructure
|
||||
|
||||
implicit none
|
||||
integer :: e, & ! element index in element loop
|
||||
i, & ! integration point index in ip loop
|
||||
g ! grain index in grain loop
|
||||
|
|
@ -2378,7 +2395,6 @@ subroutine update_state(timeFraction)
|
|||
use mesh, only: &
|
||||
mesh_element
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in) :: &
|
||||
timeFraction
|
||||
integer :: &
|
||||
|
|
@ -2431,7 +2447,6 @@ subroutine update_dotState(timeFraction)
|
|||
use constitutive, only: &
|
||||
constitutive_collectDotState
|
||||
|
||||
implicit none
|
||||
real(pReal), intent(in) :: &
|
||||
timeFraction
|
||||
integer :: &
|
||||
|
|
@ -2490,7 +2505,6 @@ subroutine update_deltaState
|
|||
phaseAt, phasememberAt
|
||||
use constitutive, only: &
|
||||
constitutive_collectDeltaState
|
||||
implicit none
|
||||
integer :: &
|
||||
e, & !< element index in element loop
|
||||
i, & !< integration point index in ip loop
|
||||
|
|
@ -2579,7 +2593,6 @@ logical function stateJump(ipc,ip,el)
|
|||
use constitutive, only: &
|
||||
constitutive_collectDeltaState
|
||||
|
||||
implicit none
|
||||
integer, intent(in):: &
|
||||
el, & ! element index
|
||||
ip, & ! integration point index
|
||||
|
|
|
|||
|
|
@ -445,45 +445,45 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
|||
steppingNeeded: if (materialpoint_subStep(i,e) > subStepMinHomog) then
|
||||
|
||||
! wind forward grain starting point of...
|
||||
crystallite_partionedF0(1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_partionedF0 (1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_partionedF(1:3,1:3,1:myNgrains,i,e) ! ...def grads
|
||||
|
||||
crystallite_partionedFp0(1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_Fp(1:3,1:3,1:myNgrains,i,e) ! ...plastic def grads
|
||||
crystallite_partionedFp0 (1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_Fp (1:3,1:3,1:myNgrains,i,e) ! ...plastic def grads
|
||||
|
||||
crystallite_partionedLp0(1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_Lp(1:3,1:3,1:myNgrains,i,e) ! ...plastic velocity grads
|
||||
crystallite_partionedLp0 (1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_Lp (1:3,1:3,1:myNgrains,i,e) ! ...plastic velocity grads
|
||||
|
||||
crystallite_partionedFi0(1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_Fi(1:3,1:3,1:myNgrains,i,e) ! ...intermediate def grads
|
||||
crystallite_partionedFi0 (1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_Fi (1:3,1:3,1:myNgrains,i,e) ! ...intermediate def grads
|
||||
|
||||
crystallite_partionedLi0(1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_Li(1:3,1:3,1:myNgrains,i,e) ! ...intermediate velocity grads
|
||||
crystallite_partionedLi0 (1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_Li (1:3,1:3,1:myNgrains,i,e) ! ...intermediate velocity grads
|
||||
|
||||
crystallite_partionedS0(1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_S(1:3,1:3,1:myNgrains,i,e) ! ...2nd PK stress
|
||||
crystallite_partionedS0 (1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_S (1:3,1:3,1:myNgrains,i,e) ! ...2nd PK stress
|
||||
|
||||
do g = 1,myNgrains
|
||||
plasticState (phaseAt(g,i,e))%partionedState0(:,phasememberAt(g,i,e)) = &
|
||||
plasticState (phaseAt(g,i,e))%state( :,phasememberAt(g,i,e))
|
||||
plasticState (phaseAt(g,i,e))%state (:,phasememberAt(g,i,e))
|
||||
do mySource = 1, phase_Nsources(phaseAt(g,i,e))
|
||||
sourceState(phaseAt(g,i,e))%p(mySource)%partionedState0(:,phasememberAt(g,i,e)) = &
|
||||
sourceState(phaseAt(g,i,e))%p(mySource)%state( :,phasememberAt(g,i,e))
|
||||
sourceState(phaseAt(g,i,e))%p(mySource)%state (:,phasememberAt(g,i,e))
|
||||
enddo
|
||||
enddo
|
||||
|
||||
forall(i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), &
|
||||
homogState(material_homogenizationAt(e))%sizeState > 0) &
|
||||
homogState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
||||
homogState(material_homogenizationAt(e))%State( :,mappingHomogenization(1,i,e)) ! ...internal homogenization state
|
||||
homogState(material_homogenizationAt(e))%State (:,mappingHomogenization(1,i,e)) ! ...internal homogenization state
|
||||
forall(i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), &
|
||||
thermalState(material_homogenizationAt(e))%sizeState > 0) &
|
||||
thermalState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
||||
thermalState(material_homogenizationAt(e))%State( :,mappingHomogenization(1,i,e)) ! ...internal thermal state
|
||||
thermalState(material_homogenizationAt(e))%State (:,mappingHomogenization(1,i,e)) ! ...internal thermal state
|
||||
forall(i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), &
|
||||
damageState(material_homogenizationAt(e))%sizeState > 0) &
|
||||
damageState(material_homogenizationAt(e))%subState0(:,mappingHomogenization(1,i,e)) = &
|
||||
damageState(material_homogenizationAt(e))%State( :,mappingHomogenization(1,i,e)) ! ...internal damage state
|
||||
damageState(material_homogenizationAt(e))%State (:,mappingHomogenization(1,i,e)) ! ...internal damage state
|
||||
materialpoint_subF0(1:3,1:3,i,e) = materialpoint_subF(1:3,1:3,i,e) ! ...def grad
|
||||
endif steppingNeeded
|
||||
|
||||
|
|
@ -515,14 +515,16 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! restore...
|
||||
if (materialpoint_subStep(i,e) < 1.0_pReal) then ! protect against fake cutback from \Delta t = 2 to 1. Maybe that "trick" is not necessary anymore at all? I.e. start with \Delta t = 1
|
||||
crystallite_Lp(1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_partionedLp0(1:3,1:3,1:myNgrains,i,e) ! ...plastic velocity grads
|
||||
crystallite_Li(1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_partionedLi0(1:3,1:3,1:myNgrains,i,e) ! ...intermediate velocity grads
|
||||
endif ! maybe protecting everything from overwriting (not only L) makes even more sense
|
||||
crystallite_Fp(1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_partionedFp0(1:3,1:3,1:myNgrains,i,e) ! ...plastic def grads
|
||||
crystallite_Lp(1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_partionedLp0(1:3,1:3,1:myNgrains,i,e) ! ...plastic velocity grads
|
||||
crystallite_Fi(1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_partionedFi0(1:3,1:3,1:myNgrains,i,e) ! ...intermediate def grads
|
||||
crystallite_Li(1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_partionedLi0(1:3,1:3,1:myNgrains,i,e) ! ...intermediate velocity grads
|
||||
crystallite_S(1:3,1:3,1:myNgrains,i,e) = &
|
||||
crystallite_partionedS0(1:3,1:3,1:myNgrains,i,e) ! ...2nd PK stress
|
||||
do g = 1, myNgrains
|
||||
|
|
|
|||
|
|
@ -13,12 +13,7 @@ module numerics
|
|||
|
||||
integer(pInt), protected, public :: &
|
||||
iJacoStiffness = 1_pInt, & !< frequency of stiffness update
|
||||
iJacoLpresiduum = 1_pInt, & !< frequency of Jacobian update of residuum in Lp
|
||||
nMPstate = 10_pInt, & !< materialpoint state loop limit
|
||||
nCryst = 20_pInt, & !< crystallite loop limit (only for debugging info, loop limit is determined by "subStepMinCryst")
|
||||
nState = 10_pInt, & !< state loop limit
|
||||
nStress = 40_pInt, & !< stress loop limit
|
||||
pert_method = 1_pInt, & !< method used in perturbation technique for tangent
|
||||
randomSeed = 0_pInt, & !< fixed seeding for pseudo-random number generator, Default 0: use random seed
|
||||
worldrank = 0_pInt, & !< MPI worldrank (/=0 for MPI simulations only)
|
||||
worldsize = 1_pInt, & !< MPI worldsize (/=1 for MPI simulations only)
|
||||
|
|
@ -26,20 +21,10 @@ module numerics
|
|||
integer(4), protected, public :: &
|
||||
DAMASK_NumThreadsInt = 0 !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
|
||||
real(pReal), protected, public :: &
|
||||
relevantStrain = 1.0e-7_pReal, & !< strain increment considered significant (used by crystallite to determine whether strain inc is considered significant)
|
||||
defgradTolerance = 1.0e-7_pReal, & !< deviation of deformation gradient that is still allowed (used by CPFEM to determine outdated ffn1)
|
||||
pert_Fg = 1.0e-7_pReal, & !< strain perturbation for FEM Jacobi
|
||||
subStepMinCryst = 1.0e-3_pReal, & !< minimum (relative) size of sub-step allowed during cutback in crystallite
|
||||
subStepMinHomog = 1.0e-3_pReal, & !< minimum (relative) size of sub-step allowed during cutback in homogenization
|
||||
subStepSizeCryst = 0.25_pReal, & !< size of first substep when cutback in crystallite
|
||||
subStepSizeHomog = 0.25_pReal, & !< size of first substep when cutback in homogenization
|
||||
subStepSizeLp = 0.5_pReal, & !< size of first substep when cutback in Lp calculation
|
||||
subStepSizeLi = 0.5_pReal, & !< size of first substep when cutback in Li calculation
|
||||
stepIncreaseCryst = 1.5_pReal, & !< increase of next substep size when previous substep converged in crystallite
|
||||
stepIncreaseHomog = 1.5_pReal, & !< increase of next substep size when previous substep converged in homogenization
|
||||
rTol_crystalliteState = 1.0e-6_pReal, & !< relative tolerance in crystallite state loop
|
||||
rTol_crystalliteStress = 1.0e-6_pReal, & !< relative tolerance in crystallite stress loop
|
||||
aTol_crystalliteStress = 1.0e-8_pReal, & !< absolute tolerance in crystallite stress loop, Default 1.0e-8: residuum is in Lp and hence strain is on this order
|
||||
numerics_unitlength = 1.0_pReal, & !< determines the physical length of one computational length unit
|
||||
absTol_RGC = 1.0e+4_pReal, & !< absolute tolerance of RGC residuum
|
||||
relTol_RGC = 1.0e-3_pReal, & !< relative tolerance of RGC residuum
|
||||
|
|
@ -57,8 +42,7 @@ module numerics
|
|||
charLength = 1.0_pReal, & !< characteristic length scale for gradient problems
|
||||
residualStiffness = 1.0e-6_pReal !< non-zero residual damage
|
||||
logical, protected, public :: &
|
||||
usePingPong = .true., &
|
||||
numerics_timeSyncing = .false. !< flag indicating if time synchronization in crystallite is used for nonlocal plasticity
|
||||
usePingPong = .true.
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! field parameters:
|
||||
|
|
@ -194,48 +178,18 @@ subroutine numerics_init
|
|||
tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key
|
||||
|
||||
select case(tag)
|
||||
case ('relevantstrain')
|
||||
relevantStrain = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('defgradtolerance')
|
||||
defgradTolerance = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('ijacostiffness')
|
||||
iJacoStiffness = IO_intValue(line,chunkPos,2_pInt)
|
||||
case ('ijacolpresiduum')
|
||||
iJacoLpresiduum = IO_intValue(line,chunkPos,2_pInt)
|
||||
case ('pert_fg')
|
||||
pert_Fg = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('pert_method')
|
||||
pert_method = IO_intValue(line,chunkPos,2_pInt)
|
||||
case ('nmpstate')
|
||||
nMPstate = IO_intValue(line,chunkPos,2_pInt)
|
||||
case ('ncryst')
|
||||
nCryst = IO_intValue(line,chunkPos,2_pInt)
|
||||
case ('nstate')
|
||||
nState = IO_intValue(line,chunkPos,2_pInt)
|
||||
case ('nstress')
|
||||
nStress = IO_intValue(line,chunkPos,2_pInt)
|
||||
case ('substepmincryst')
|
||||
subStepMinCryst = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('substepsizecryst')
|
||||
subStepSizeCryst = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('stepincreasecryst')
|
||||
stepIncreaseCryst = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('substepsizelp')
|
||||
subStepSizeLp = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('substepsizeli')
|
||||
subStepSizeLi = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('substepminhomog')
|
||||
subStepMinHomog = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('substepsizehomog')
|
||||
subStepSizeHomog = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('stepincreasehomog')
|
||||
stepIncreaseHomog = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('rtol_crystallitestate')
|
||||
rTol_crystalliteState = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('rtol_crystallitestress')
|
||||
rTol_crystalliteStress = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('atol_crystallitestress')
|
||||
aTol_crystalliteStress = IO_floatValue(line,chunkPos,2_pInt)
|
||||
case ('integrator')
|
||||
numerics_integrator = IO_intValue(line,chunkPos,2_pInt)
|
||||
case ('usepingpong')
|
||||
|
|
@ -356,23 +310,8 @@ subroutine numerics_init
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! writing parameters to output
|
||||
write(6,'(a24,1x,es8.1)') ' relevantStrain: ',relevantStrain
|
||||
write(6,'(a24,1x,es8.1)') ' defgradTolerance: ',defgradTolerance
|
||||
write(6,'(a24,1x,i8)') ' iJacoStiffness: ',iJacoStiffness
|
||||
write(6,'(a24,1x,i8)') ' iJacoLpresiduum: ',iJacoLpresiduum
|
||||
write(6,'(a24,1x,es8.1)') ' pert_Fg: ',pert_Fg
|
||||
write(6,'(a24,1x,i8)') ' pert_method: ',pert_method
|
||||
write(6,'(a24,1x,i8)') ' nCryst: ',nCryst
|
||||
write(6,'(a24,1x,es8.1)') ' subStepMinCryst: ',subStepMinCryst
|
||||
write(6,'(a24,1x,es8.1)') ' subStepSizeCryst: ',subStepSizeCryst
|
||||
write(6,'(a24,1x,es8.1)') ' stepIncreaseCryst: ',stepIncreaseCryst
|
||||
write(6,'(a24,1x,es8.1)') ' subStepSizeLp: ',subStepSizeLp
|
||||
write(6,'(a24,1x,es8.1)') ' subStepSizeLi: ',subStepSizeLi
|
||||
write(6,'(a24,1x,i8)') ' nState: ',nState
|
||||
write(6,'(a24,1x,i8)') ' nStress: ',nStress
|
||||
write(6,'(a24,1x,es8.1)') ' rTol_crystalliteState: ',rTol_crystalliteState
|
||||
write(6,'(a24,1x,es8.1)') ' rTol_crystalliteStress: ',rTol_crystalliteStress
|
||||
write(6,'(a24,1x,es8.1)') ' aTol_crystalliteStress: ',aTol_crystalliteStress
|
||||
write(6,'(a24,1x,i8)') ' integrator: ',numerics_integrator
|
||||
write(6,'(a24,1x,L8)') ' use ping pong scheme: ',usepingpong
|
||||
write(6,'(a24,1x,es8.1,/)')' unitlength: ',numerics_unitlength
|
||||
|
|
@ -452,28 +391,12 @@ subroutine numerics_init
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! sanity checks
|
||||
if (relevantStrain <= 0.0_pReal) call IO_error(301_pInt,ext_msg='relevantStrain')
|
||||
if (defgradTolerance <= 0.0_pReal) call IO_error(301_pInt,ext_msg='defgradTolerance')
|
||||
if (iJacoStiffness < 1_pInt) call IO_error(301_pInt,ext_msg='iJacoStiffness')
|
||||
if (iJacoLpresiduum < 1_pInt) call IO_error(301_pInt,ext_msg='iJacoLpresiduum')
|
||||
if (pert_Fg <= 0.0_pReal) call IO_error(301_pInt,ext_msg='pert_Fg')
|
||||
if (pert_method <= 0_pInt .or. pert_method >= 4_pInt) &
|
||||
call IO_error(301_pInt,ext_msg='pert_method')
|
||||
if (nMPstate < 1_pInt) call IO_error(301_pInt,ext_msg='nMPstate')
|
||||
if (nCryst < 1_pInt) call IO_error(301_pInt,ext_msg='nCryst')
|
||||
if (nState < 1_pInt) call IO_error(301_pInt,ext_msg='nState')
|
||||
if (nStress < 1_pInt) call IO_error(301_pInt,ext_msg='nStress')
|
||||
if (subStepMinCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinCryst')
|
||||
if (subStepSizeCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeCryst')
|
||||
if (stepIncreaseCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseCryst')
|
||||
if (subStepSizeLp <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeLp')
|
||||
if (subStepSizeLi <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeLi')
|
||||
if (subStepMinHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinHomog')
|
||||
if (subStepSizeHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeHomog')
|
||||
if (stepIncreaseHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseHomog')
|
||||
if (rTol_crystalliteState <= 0.0_pReal) call IO_error(301_pInt,ext_msg='rTol_crystalliteState')
|
||||
if (rTol_crystalliteStress <= 0.0_pReal) call IO_error(301_pInt,ext_msg='rTol_crystalliteStress')
|
||||
if (aTol_crystalliteStress <= 0.0_pReal) call IO_error(301_pInt,ext_msg='aTol_crystalliteStress')
|
||||
if (numerics_integrator <= 0_pInt .or. numerics_integrator >= 6_pInt) &
|
||||
call IO_error(301_pInt,ext_msg='integrator')
|
||||
if (numerics_unitlength <= 0.0_pReal) call IO_error(301_pInt,ext_msg='unitlength')
|
||||
|
|
|
|||
Loading…
Reference in New Issue