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in crystallite_stressAndItsTangent we now update the state first (explicit integration) and then integrate the stress (implicit integration) 

also inside the stress integration, it is now possible to define the frequency of the Jacobian update oin the LpLoop through iJacoLpResiduum. The frequency of the Jacobian update for  the stiffness in the crystallite loop is controlled by the parameter iJacoStiffness. 

also updated the corresponding stuctograms in the documentation
This commit is contained in:
Christoph Kords 2009-06-09 11:05:29 +00:00
parent 306cd95992
commit 3196049496
12 changed files with 35228 additions and 28221 deletions
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535
trunk/crystallite.f90
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@ -7,7 +7,7 @@
!* - materialpoint_stressAndItsTangent * !* - materialpoint_stressAndItsTangent *
!* - _partitionDeformation * !* - _partitionDeformation *
!* - _updateState * !* - _updateState *
!* - _averageStressAndItsTangent * !* - _stressAndItsTangent *
!* - _postResults * !* - _postResults *
!*************************************** !***************************************
@ -19,7 +19,7 @@ MODULE crystallite
! **************************************************************** ! ****************************************************************
! *** General variables for the crystallite calculation *** ! *** General variables for the crystallite calculation ***
! **************************************************************** ! ****************************************************************
integer(pInt), parameter :: crystallite_Nresults = 5_pInt ! phaseID, volfrac within this phase, Euler angles integer(pInt), parameter :: crystallite_Nresults = 5_pInt ! phaseID, volume, Euler angles
real(pReal), dimension (:,:,:,:,:), allocatable :: crystallite_Fe, & ! current "elastic" def grad (end of converged time step) real(pReal), dimension (:,:,:,:,:), allocatable :: crystallite_Fe, & ! current "elastic" def grad (end of converged time step)
crystallite_Fp, & ! current plastic def grad (end of converged time step) crystallite_Fp, & ! current plastic def grad (end of converged time step)
@ -48,7 +48,9 @@ MODULE crystallite
logical, dimension (:,:,:), allocatable :: crystallite_localConstitution, & ! indicates this grain to have purely local constitutive law logical, dimension (:,:,:), allocatable :: crystallite_localConstitution, & ! indicates this grain to have purely local constitutive law
crystallite_requested, & ! flag to request crystallite calculation crystallite_requested, & ! flag to request crystallite calculation
crystallite_onTrack, & ! flag to indicate ongoing calculation crystallite_onTrack, & ! flag to indicate ongoing calculation
crystallite_converged ! convergence flag crystallite_converged, & ! convergence flag
crystallite_stressConverged, & ! convergence flag for stress
crystallite_stateConverged ! convergence flag for state
CONTAINS CONTAINS
@ -58,16 +60,70 @@ MODULE crystallite
!******************************************************************** !********************************************************************
subroutine crystallite_init() subroutine crystallite_init()
use prec, only: pInt,pReal !*** variables and functions from other modules ***!
use debug, only: debug_info,debug_reset use prec, only: pInt, &
use math, only: math_I3,math_EulerToR pReal
use FEsolving, only: FEsolving_execElem,FEsolving_execIP use debug, only: debug_info, &
use mesh, only: mesh_element,mesh_NcpElems,mesh_maxNips debug_reset
use material, only: homogenization_Ngrains,homogenization_maxNgrains,& use math, only: math_I3, &
material_EulerAngles,material_phase,phase_localConstitution math_EulerToR
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP
use mesh, only: mesh_element, &
mesh_NcpElems, &
mesh_maxNips
use material, only: homogenization_Ngrains, &
homogenization_maxNgrains, &
material_EulerAngles, &
material_phase, &
phase_localConstitution
implicit none implicit none
integer(pInt) g,i,e, gMax,iMax,eMax, myNgrains !*** input variables ***!
!*** output variables ***!
!*** local variables ***!
integer(pInt) g, & ! grain number
i, & ! integration point number
e, & ! element number
gMax, & ! maximum number of grains
iMax, & ! maximum number of integration points
eMax, & ! maximum number of elements
myNgrains
!*** global variables ***!
! crystallite_Fe
! crystallite_Fp
! crystallite_Lp
! crystallite_F0
! crystallite_Fp0
! crystallite_Lp0
! crystallite_partionedF
! crystallite_partionedF0
! crystallite_partionedFp0
! crystallite_partionedLp0
! crystallite_subF
! crystallite_subF0
! crystallite_subFp0
! crystallite_subLp0
! crystallite_P
! crystallite_Tstar_v
! crystallite_dPdF
! crystallite_fallbackdPdF
! crystallite_dt
! crystallite_subdt
! crystallite_subFrac
! crystallite_subStep
! crystallite_Temperature
! crystallite_localConstitution
! crystallite_requested
! crystallite_onTrack
! crystallite_converged
!*** global functions or subroutines ***!
! crystallite_stressAndItsTangent
gMax = homogenization_maxNgrains gMax = homogenization_maxNgrains
iMax = mesh_maxNips iMax = mesh_maxNips
@ -99,6 +155,8 @@ MODULE crystallite
allocate(crystallite_localConstitution(gMax,iMax,eMax)); allocate(crystallite_localConstitution(gMax,iMax,eMax));
allocate(crystallite_requested(gMax,iMax,eMax)); crystallite_requested = .false. allocate(crystallite_requested(gMax,iMax,eMax)); crystallite_requested = .false.
allocate(crystallite_onTrack(gMax,iMax,eMax)); crystallite_onTrack = .false. allocate(crystallite_onTrack(gMax,iMax,eMax)); crystallite_onTrack = .false.
allocate(crystallite_stressConverged(gMax,iMax,eMax)); crystallite_stressConverged = .false.
allocate(crystallite_stateConverged(gMax,iMax,eMax)); crystallite_stateConverged = .false.
allocate(crystallite_converged(gMax,iMax,eMax)); crystallite_converged = .true. allocate(crystallite_converged(gMax,iMax,eMax)); crystallite_converged = .true.
!$OMP PARALLEL DO !$OMP PARALLEL DO
@ -153,6 +211,8 @@ MODULE crystallite
write(6,'(a32,x,7(i5,x))') 'crystallite_localConstitution: ', shape(crystallite_localConstitution) write(6,'(a32,x,7(i5,x))') 'crystallite_localConstitution: ', shape(crystallite_localConstitution)
write(6,'(a32,x,7(i5,x))') 'crystallite_requested: ', shape(crystallite_requested) write(6,'(a32,x,7(i5,x))') 'crystallite_requested: ', shape(crystallite_requested)
write(6,'(a32,x,7(i5,x))') 'crystallite_onTrack: ', shape(crystallite_onTrack) write(6,'(a32,x,7(i5,x))') 'crystallite_onTrack: ', shape(crystallite_onTrack)
write(6,'(a32,x,7(i5,x))') 'crystallite_stressConverged: ', shape(crystallite_stressConverged)
write(6,'(a32,x,7(i5,x))') 'crystallite_stateConverged: ', shape(crystallite_stateConverged)
write(6,'(a32,x,7(i5,x))') 'crystallite_converged: ', shape(crystallite_converged) write(6,'(a32,x,7(i5,x))') 'crystallite_converged: ', shape(crystallite_converged)
write(6,*) write(6,*)
write(6,*) 'Number of non-local grains: ',count(.not. crystallite_localConstitution) write(6,*) 'Number of non-local grains: ',count(.not. crystallite_localConstitution)
@ -167,28 +227,103 @@ MODULE crystallite
endsubroutine endsubroutine
!******************************************************************** !********************************************************************
! calculate stress (P) and tangent (dPdF) for crystallites ! calculate stress (P) and tangent (dPdF) for crystallites
!******************************************************************** !********************************************************************
subroutine crystallite_stressAndItsTangent(updateJaco) subroutine crystallite_stressAndItsTangent(updateJaco)
use prec, only: pInt,pReal,subStepMin,nCryst !*** variables and functions from other modules ***!
use debug use prec, only: pInt, &
use IO, only: IO_warning pReal, &
use math subStepMin, &
use FEsolving, only: FEsolving_execElem, FEsolving_execIP, theInc pert_Fg, &
use mesh, only: mesh_element nState, &
use material, only: homogenization_Ngrains nCryst
use constitutive use debug, only: debugger, &
debug_CrystalliteLoopDistribution, &
debug_StateLoopDistribution, &
debug_StiffnessStateLoopDistribution
use IO, only: IO_warning
use math, only: math_inv3x3, &
math_mul33x33, &
math_mul66x6, &
math_Mandel6to33, &
math_Mandel33to6, &
math_I3
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP, &
theInc
use mesh, only: mesh_element
use material, only: homogenization_Ngrains
use constitutive, only: constitutive_maxSizeState, &
constitutive_sizeState, &
constitutive_state, &
constitutive_subState0, &
constitutive_partionedState0, &
constitutive_homogenizedC
implicit none implicit none
logical, intent(in) :: updateJaco !*** input variables ***!
real(pReal), dimension(3,3) :: invFp,Fe_guess,PK2,myF,myFp,myFe,myLp,myP logical, intent(in) :: updateJaco ! flag indicating wehther we want to update the Jacobian (stiffness) or not
real(pReal), dimension(constitutive_maxSizeState) :: myState
integer(pInt) NiterationCrystallite, NiterationState
integer(pInt) g,i,e,k,l, myNgrains, mySizeState
logical onTrack,converged
!*** output variables ***!
!*** local variables ***!
real(pReal), dimension(3,3) :: invFp, & ! inverse of the plastic deformation gradient
Fe_guess, & ! guess for elastic deformation gradient
Tstar, & ! 2nd Piola-Kirchhoff stress tensor
myF, & ! local copy of the deformation gradient
myFp, & ! local copy of the plastic deformation gradient
myFe, & ! local copy of the elastic deformation gradient
myLp, & ! local copy of the plastic velocity gradient
myP ! local copy of the 1st Piola-Kirchhoff stress tensor
real(pReal), dimension(constitutive_maxSizeState) :: myState ! local copy of the state
integer(pInt) NiterationCrystallite, & ! number of iterations in crystallite loop
NiterationState ! number of iterations in state loop
integer(pInt) e, & ! element index
i, & ! integration point index
g, & ! grain index
k, &
l, &
myNgrains, &
mySizeState
logical onTrack, & ! flag indicating wether we are still on track
converged ! flag indicating if iteration converged
!*** global variables ***!
! crystallite_Fe
! crystallite_Fp
! crystallite_Lp
! crystallite_partionedF
! crystallite_partionedF0
! crystallite_partionedFp0
! crystallite_partionedLp0
! crystallite_subF
! crystallite_subF0
! crystallite_subFp0
! crystallite_subLp0
! crystallite_P
! crystallite_Tstar_v
! crystallite_dPdF
! crystallite_fallbackdPdF
! crystallite_dt
! crystallite_subdt
! crystallite_subFrac
! crystallite_subStep
! crystallite_Temperature
! crystallite_localConstitution
! crystallite_requested
! crystallite_onTrack
! crystallite_stressConverged
! crystallite_stateConverged
! crystallite_converged
!*** global functions or subroutines ***!
! crystallite_integrateStress
! crystallite_updateState
! ------ initialize to starting condition ------ ! ------ initialize to starting condition ------
write (6,*) write (6,*)
@ -200,11 +335,11 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
!$OMP PARALLEL DO !$OMP PARALLEL DO
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
myNgrains = homogenization_Ngrains(mesh_element(3,e)) myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
do g = 1,myNgrains do g = 1,myNgrains
if (crystallite_requested(g,i,e)) then ! initialize restoration point of ... if (crystallite_requested(g,i,e)) then ! initialize restoration point of ...
constitutive_subState0(g,i,e)%p = constitutive_partionedState0(g,i,e)%p ! ...microstructure constitutive_subState0(g,i,e)%p = constitutive_partionedState0(g,i,e)%p ! ...microstructure
crystallite_subFp0(:,:,g,i,e) = crystallite_partionedFp0(:,:,g,i,e) ! ...plastic def grad crystallite_subFp0(:,:,g,i,e) = crystallite_partionedFp0(:,:,g,i,e) ! ...plastic def grad
crystallite_subLp0(:,:,g,i,e) = crystallite_partionedLp0(:,:,g,i,e) ! ...plastic velocity grad crystallite_subLp0(:,:,g,i,e) = crystallite_partionedLp0(:,:,g,i,e) ! ...plastic velocity grad
@ -213,7 +348,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
crystallite_subFrac(g,i,e) = 0.0_pReal crystallite_subFrac(g,i,e) = 0.0_pReal
crystallite_subStep(g,i,e) = 2.0_pReal crystallite_subStep(g,i,e) = 2.0_pReal
crystallite_onTrack(g,i,e) = .true. crystallite_onTrack(g,i,e) = .true.
crystallite_converged(g,i,e) = .false. ! pretend failed step of twice the required size crystallite_converged(g,i,e) = .false. ! pretend failed step of twice the required size
endif endif
enddo enddo
enddo enddo
@ -235,11 +370,10 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
crystallite_localConstitution(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) ! reset non-local grains' convergence status crystallite_localConstitution(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) ! reset non-local grains' convergence status
!$OMP PARALLEL DO !$OMP PARALLEL DO
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
myNgrains = homogenization_Ngrains(mesh_element(3,e)) myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
do g = 1,myNgrains do g = 1,myNgrains
debugger = (g == 1 .and. i == 1 .and. e == 1)
if (crystallite_converged(g,i,e)) then if (crystallite_converged(g,i,e)) then
crystallite_subFrac(g,i,e) = crystallite_subFrac(g,i,e) + crystallite_subStep(g,i,e) crystallite_subFrac(g,i,e) = crystallite_subFrac(g,i,e) + crystallite_subStep(g,i,e)
crystallite_subStep(g,i,e) = min(1.0_pReal-crystallite_subFrac(g,i,e), 2.0_pReal * crystallite_subStep(g,i,e)) crystallite_subStep(g,i,e) = min(1.0_pReal-crystallite_subFrac(g,i,e), 2.0_pReal * crystallite_subStep(g,i,e))
@ -292,45 +426,16 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
! ------ convergence loop for stress and state ------ ! ------ convergence loop for stress and state ------
NiterationState = 0_pInt NiterationState = 1_pInt
if (debugger) write(6,*) 'state integration started' if (debugger) write(6,*) 'state integration started'
do while (any( crystallite_requested(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) & do while (any( crystallite_requested(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) &
.and. crystallite_onTrack(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) & .and. crystallite_onTrack(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) &
.and. .not. crystallite_converged(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) & .and. .not. crystallite_converged(:,:,FEsolving_execELem(1):FEsolving_execElem(2)) &
) .and. NiterationState < nState) ! convergence loop for crystallite ) .and. NiterationState < nState) ! convergence loop for crystallite
NiterationState = NiterationState + 1 NiterationState = NiterationState + 1
! --+>> stress integration <<+--
!
! incrementing by crystallite_subdt
! based on crystallite_subF0,.._subFp0,.._subLp0
! constitutive_state is internally interpolated with .._subState0
! to account for substepping within _integrateStress
! results in crystallite_Fp,.._Lp
if (debugger) write(6,*) 'stress integration started'
!$OMP PARALLEL DO
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
do g = 1,myNgrains
if (crystallite_requested(g,i,e) .and. &
crystallite_onTrack(g,i,e)) & ! all undone crystallites
crystallite_onTrack(g,i,e) = crystallite_integrateStress(g,i,e)
enddo
enddo
enddo
!$OMP END PARALLEL DO
if (crystallite_requested(1,1,1) .and. crystallite_onTrack(1,1,1)) then
write(6,*) 'stress integration converged'
write(6,'(a,/,3(3(e15.7,x)/))') 'P of 1 1 1',crystallite_P(:,:,1,1,1)
write(6,'(a,/,3(3(f12.7,x)/))') 'Lp of 1 1 1',crystallite_Lp(:,:,1,1,1)
endif
! --+>> state integration <<+-- ! --+>> state integration <<+--
! !
! incrementing by crystallite_subdt ! incrementing by crystallite_subdt
@ -338,13 +443,38 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
! results in constitutive_state ! results in constitutive_state
!$OMP PARALLEL DO !$OMP PARALLEL DO
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
myNgrains = homogenization_Ngrains(mesh_element(3,e)) myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
do g = 1,myNgrains do g = 1,myNgrains
if (crystallite_requested(g,i,e) .and. & if ( crystallite_requested(g,i,e) &
crystallite_onTrack(g,i,e)) then ! all undone crystallites .and. crystallite_onTrack(g,i,e) &
crystallite_converged(g,i,e) = crystallite_updateState(g,i,e) .and. .not. crystallite_converged(g,i,e)) & ! all undone crystallites
crystallite_stateConverged(g,i,e) = crystallite_updateState(g,i,e)
enddo
enddo
enddo
!$OMP END PARALLEL DO
! --+>> stress integration <<+--
!
! incrementing by crystallite_subdt
! based on crystallite_subF0,.._subFp0,.._subLp0
! constitutive_state is internally interpolated with .._subState0
! to account for substepping within _integrateStress
! results in crystallite_Fp,.._Lp
!$OMP PARALLEL DO
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
do g = 1,myNgrains
if ( crystallite_requested(g,i,e) &
.and. crystallite_onTrack(g,i,e) &
.and. .not. crystallite_converged(g,i,e)) then ! all undone crystallites
crystallite_stressConverged(g,i,e) = crystallite_integrateStress(g,i,e)
crystallite_onTrack(g,i,e) = crystallite_stressConverged(g,i,e)
crystallite_converged(g,i,e) = crystallite_stateConverged(g,i,e) .and. crystallite_stressConverged(g,i,e)
if (crystallite_converged(g,i,e)) then if (crystallite_converged(g,i,e)) then
!$OMP CRITICAL (distributionState) !$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(NiterationState) = debug_StateLoopDistribution(NiterationState) + 1 debug_StateLoopDistribution(NiterationState) = debug_StateLoopDistribution(NiterationState) + 1
@ -359,39 +489,31 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
enddo enddo
enddo enddo
!$OMP END PARALLEL DO !$OMP END PARALLEL DO
if (crystallite_requested(1,1,1) .and. crystallite_onTrack(1,1,1) .and. crystallite_converged(1,1,1)) then
write(6,*) 'state integration converged'
write(6,'(a20,e8.3)') 'state of 1 1 1: ', constitutive_state(1,1,1)%p(1)
write(6,*)
endif
enddo ! crystallite convergence loop enddo ! crystallite convergence loop
if (debugger) write(6,*) 'state integration converged'
enddo ! cutback loop enddo ! cutback loop
! ------ check for non-converged crystallites ------ ! ------ check for non-converged crystallites ------
!$OMP PARALLEL DO !$OMP PARALLEL DO
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
myNgrains = homogenization_Ngrains(mesh_element(3,e)) myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
do g = 1,myNgrains do g = 1,myNgrains
if (.not. crystallite_converged(g,i,e)) then ! respond fully elastically if (.not. crystallite_converged(g,i,e)) then ! respond fully elastically
call IO_warning(600,e,i,g) call IO_warning(600,e,i,g)
invFp = math_inv3x3(crystallite_partionedFp0(:,:,g,i,e)) invFp = math_inv3x3(crystallite_partionedFp0(:,:,g,i,e))
Fe_guess = math_mul33x33(crystallite_partionedF(:,:,g,i,e),invFp) Fe_guess = math_mul33x33(crystallite_partionedF(:,:,g,i,e),invFp)
PK2 = math_Mandel6to33( & Tstar = math_Mandel6to33( &
math_mul66x6( & math_mul66x6( 0.5_pReal*constitutive_homogenizedC(g,i,e), &
0.5_pReal*constitutive_homogenizedC(g,i,e), & math_Mandel33to6( math_mul33x33(transpose(Fe_guess),Fe_guess) - math_I3 ) &
math_Mandel33to6( & ) &
math_mul33x33(transpose(Fe_guess),Fe_guess) - math_I3 & )
) & crystallite_P(:,:,g,i,e) = math_mul33x33(Fe_guess,math_mul33x33(Tstar,transpose(invFp)))
) &
)
crystallite_P(:,:,g,i,e) = math_mul33x33(Fe_guess,math_mul33x33(PK2,transpose(invFp)))
endif endif
enddo enddo
enddo enddo
@ -400,39 +522,34 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
! ------ stiffness calculation ------ ! ------ stiffness calculation ------
if(updateJaco) then ! Jacobian required if(updateJaco) then ! Jacobian required
if (debugger) then if (debugger) write (6,*) 'Stiffness calculation started'
write (6,*) 'Stiffness calculation started'
!$OMP CRITICAL (write2out)
! write(6,'(a10,x,16(f6.4,x))') 'cryst_dt',crystallite_subdt
!$OMP END CRITICAL (write2out)
endif
!$OMP PARALLEL DO !$OMP PARALLEL DO
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
myNgrains = homogenization_Ngrains(mesh_element(3,e)) myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
do g = 1,myNgrains do g = 1,myNgrains
if (crystallite_converged(g,i,e)) then ! grain converged in above iteration if (crystallite_converged(g,i,e)) then ! grain converged in above iteration
mySizeState = constitutive_sizeState(g,i,e) ! number of state variables for this grain mySizeState = constitutive_sizeState(g,i,e) ! number of state variables for this grain
myState(1:mySizeState) = constitutive_state(g,i,e)%p ! remember unperturbed, converged state... myState(1:mySizeState) = constitutive_state(g,i,e)%p ! remember unperturbed, converged state...
myF = crystallite_subF(:,:,g,i,e) ! ... and kinematics myF = crystallite_subF(:,:,g,i,e) ! ... and kinematics
myFp = crystallite_Fp(:,:,g,i,e) myFp = crystallite_Fp(:,:,g,i,e)
myFe = crystallite_Fe(:,:,g,i,e) myFe = crystallite_Fe(:,:,g,i,e)
myLp = crystallite_Lp(:,:,g,i,e) myLp = crystallite_Lp(:,:,g,i,e)
myP = crystallite_P(:,:,g,i,e) myP = crystallite_P(:,:,g,i,e)
if (debugger) then if (debugger) then
write (6,*) '#############' write (6,*) '#############'
write (6,*) 'central solution' write (6,*) 'central solution'
write (6,*) '#############' write (6,*) '#############'
write (6,'(a,/,3(3(f12.4,x)/))') ' P of 1 1 1',myP(1:3,:)/1e6 write (6,'(a,/,3(3(f12.4,x)/))') ' P of 1 1 1',myP(1:3,:)/1e6
write (6,'(a,/,3(3(f12.8,x)/))') ' Fp of 1 1 1',myFp(1:3,:) write (6,'(a,/,3(3(f12.8,x)/))') ' Fp of 1 1 1',myFp(1:3,:)
write (6,'(a,/,3(3(f12.8,x)/))') ' Lp of 1 1 1',myLp(1:3,:) write (6,'(a,/,3(3(f12.8,x)/))') ' Lp of 1 1 1',myLp(1:3,:)
write (6,'(a,/,f12.4)') 'state of 1 1 1',myState/1e6 write (6,'(a,/,f12.4)') 'state of 1 1 1',myState/1e6
endif endif
do k = 1,3 ! perturbation... do k = 1,3 ! perturbation...
do l = 1,3 ! ...components do l = 1,3 ! ...components
crystallite_subF(:,:,g,i,e) = myF ! initialize perturbed F to match converged crystallite_subF(:,:,g,i,e) = myF ! initialize perturbed F to match converged
crystallite_subF(k,l,g,i,e) = crystallite_subF(k,l,g,i,e) + pert_Fg ! perturb single component crystallite_subF(k,l,g,i,e) = crystallite_subF(k,l,g,i,e) + pert_Fg ! perturb single component
onTrack = .true. onTrack = .true.
converged = .false. converged = .false.
@ -446,8 +563,9 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
do while(.not. converged .and. onTrack .and. NiterationState < nState) ! keep cycling until done (potentially non-converged) do while(.not. converged .and. onTrack .and. NiterationState < nState) ! keep cycling until done (potentially non-converged)
NiterationState = NiterationState + 1_pInt NiterationState = NiterationState + 1_pInt
if (debugger) write (6,'(a4,x,i6)') 'loop',NiterationState if (debugger) write (6,'(a4,x,i6)') 'loop',NiterationState
onTrack = crystallite_integrateStress(g,i,e) ! stress of perturbed situation (overwrites _P,_Tstar_v,_Fp,_Lp,_Fe) converged = crystallite_updateState(g,i,e) ! update state
if(onTrack) converged = crystallite_updateState(g,i,e) onTrack = crystallite_integrateStress(g,i,e) ! stress of perturbed situation (overwrites _P,_Tstar_v,_Fp,_Lp,_Fe)
converged = converged .and. onTrack
if (debugger) then if (debugger) then
write (6,*) '-------------' write (6,*) '-------------'
write (6,'(l,x,l)') onTrack,converged write (6,'(l,x,l)') onTrack,converged
@ -457,10 +575,10 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
write (6,'(a,/,f12.4)') 'Dstate of 1 1 1',(constitutive_state(g,i,e)%p-myState)/1e6 write (6,'(a,/,f12.4)') 'Dstate of 1 1 1',(constitutive_state(g,i,e)%p-myState)/1e6
endif endif
enddo enddo
if (converged) & ! converged state warrants stiffness update if (converged) & ! converged state warrants stiffness update
crystallite_dPdF(:,:,k,l,g,i,e) = (crystallite_P(:,:,g,i,e) - myP)/pert_Fg ! tangent dP_ij/dFg_kl crystallite_dPdF(:,:,k,l,g,i,e) = (crystallite_P(:,:,g,i,e) - myP)/pert_Fg ! tangent dP_ij/dFg_kl
constitutive_state(g,i,e)%p = myState ! restore unperturbed, converged state... constitutive_state(g,i,e)%p = myState ! restore unperturbed, converged state...
crystallite_Fp(:,:,g,i,e) = myFp ! ... and kinematics crystallite_Fp(:,:,g,i,e) = myFp ! ... and kinematics
crystallite_Fe(:,:,g,i,e) = myFe crystallite_Fe(:,:,g,i,e) = myFe
crystallite_Lp(:,:,g,i,e) = myLp crystallite_Lp(:,:,g,i,e) = myLp
crystallite_P(:,:,g,i,e) = myP crystallite_P(:,:,g,i,e) = myP
@ -470,28 +588,24 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
!$OMP END CRITICAL (out) !$OMP END CRITICAL (out)
enddo enddo
enddo enddo
constitutive_state(g,i,e)%p = myState ! restore unperturbed, converged state... if (debugger) write (6,'(a,/,9(9(f12.4,x)/))') 'dPdF/GPa',crystallite_dPdF(:,:,:,:,1,1,1)/1e9
crystallite_Fp(:,:,g,i,e) = myFp ! ... and kinematics
crystallite_Fe(:,:,g,i,e) = myFe else ! grain did not converged
crystallite_Lp(:,:,g,i,e) = myLp
crystallite_P(:,:,g,i,e) = myP
if (e == 1 .and. i == 1 .and. g == 1) then
write (6,'(a,/,9(9(f12.4,x)/))') 'dPdF/GPa',crystallite_dPdF(:,:,:,:,1,1,1)/1e9
endif
else ! grain has not converged
crystallite_dPdF(:,:,:,:,g,i,e) = crystallite_fallbackdPdF(:,:,:,:,g,i,e) ! use fallback crystallite_dPdF(:,:,:,:,g,i,e) = crystallite_fallbackdPdF(:,:,:,:,g,i,e) ! use fallback
endif endif
enddo enddo
enddo enddo
enddo enddo
!$OMP END PARALLEL DO !$OMP END PARALLEL DO
if (debugger) write (6,*) 'Stiffness calculation finished'
endif endif
endsubroutine endsubroutine
!******************************************************************** !********************************************************************
! update the internal state of the constitutive law ! update the internal state of the constitutive law
! and tell whether state has converged ! and tell whether state has converged
@ -503,39 +617,66 @@ endsubroutine
) )
!*** variables and functions from other modules ***! !*** variables and functions from other modules ***!
use prec, only: pReal, & use prec, only: pReal, &
pInt, & pInt, &
pLongInt, & pLongInt, &
rTol_crystalliteState rTol_crystalliteState
use constitutive, only: constitutive_dotState, & use constitutive, only: constitutive_dotState, &
constitutive_sizeDotState, & constitutive_sizeDotState, &
constitutive_subState0, & constitutive_subState0, &
constitutive_state constitutive_state
use debug, only: debug_cumDotStateCalls, & use debug, only: debugger, &
debug_cumDotStateTicks debug_cumDotStateCalls, &
debug_cumDotStateTicks
logical crystallite_updateState !*** input variables ***!
integer(pInt), intent(in):: e, & ! element index
i, & ! integration point index
g ! grain index
!*** output variables ***!
logical crystallite_updateState ! flag indicating if integration suceeded
integer(pLongInt) tick,tock,tickrate,maxticks !*** local variables ***!
integer(pInt) g,i,e,mySize real(pReal), dimension(6) :: Tstar_v ! 2nd Piola-Kirchhoff Stress in Mandel-Notation
real(pReal), dimension(6) :: Tstar_v real(pReal), dimension(constitutive_sizeDotState(g,i,e)) :: residuum ! residuum from evolution of microstructure
real(pReal), dimension(constitutive_sizeDotState(g,i,e)) :: residuum integer(pInt) mySize
integer(pLongInt) tick, &
tock, &
tickrate, &
maxticks
!*** global variables ***!
! crystallite_Tstar_v
! crystallite_subdt
! crystallite_Temperature
mySize = constitutive_sizeDotState(g,i,e) mySize = constitutive_sizeDotState(g,i,e)
! calculate the residuum
call system_clock(count=tick,count_rate=tickrate,count_max=maxticks) call system_clock(count=tick,count_rate=tickrate,count_max=maxticks)
residuum = constitutive_state(g,i,e)%p(1:mySize) - constitutive_subState0(g,i,e)%p(1:mySize) - & residuum = constitutive_state(g,i,e)%p(1:mySize) - constitutive_subState0(g,i,e)%p(1:mySize) - &
crystallite_subdt(g,i,e)*& crystallite_subdt(g,i,e) * constitutive_dotState(crystallite_Tstar_v(:,g,i,e),crystallite_Temperature(g,i,e),g,i,e)
constitutive_dotState(crystallite_Tstar_v(:,g,i,e),crystallite_Temperature(g,i,e),g,i,e) ! residuum from evolution of microstructure
call system_clock(count=tock,count_rate=tickrate,count_max=maxticks) call system_clock(count=tock,count_rate=tickrate,count_max=maxticks)
debug_cumDotStateCalls = debug_cumDotStateCalls + 1_pInt debug_cumDotStateCalls = debug_cumDotStateCalls + 1_pInt
debug_cumDotStateTicks = debug_cumDotStateTicks + tock-tick debug_cumDotStateTicks = debug_cumDotStateTicks + tock-tick
if (tock < tick) debug_cumDotStateTicks = debug_cumDotStateTicks + maxticks if (tock < tick) debug_cumDotStateTicks = debug_cumDotStateTicks + maxticks
if (any(constitutive_state(g,i,e)%p(1:mySize)/=constitutive_state(g,i,e)%p(1:mySize))) return ! NaN occured? ! if NaN occured then return without changing the state
if (any(constitutive_state(g,i,e)%p(1:mySize)/=constitutive_state(g,i,e)%p(1:mySize))) then
if (debugger) write(6,*) '::: updateState encountered NaN'
return
endif
constitutive_state(g,i,e)%p(1:mySize) = constitutive_state(g,i,e)%p(1:mySize) - residuum ! update of microstructure ! update the microstructure
crystallite_updateState = maxval(abs(residuum/constitutive_state(g,i,e)%p(1:mySize)),& constitutive_state(g,i,e)%p(1:mySize) = constitutive_state(g,i,e)%p(1:mySize) - residuum
! setting flag to true if state is below relative Tolerance, otherwise set it to false
crystallite_updateState = maxval(abs(residuum/constitutive_state(g,i,e)%p(1:mySize)), &
constitutive_state(g,i,e)%p(1:mySize) /= 0.0_pReal) < rTol_crystalliteState constitutive_state(g,i,e)%p(1:mySize) /= 0.0_pReal) < rTol_crystalliteState
if (debugger) write(6,'(a,/,f12.4)') 'updated state: ', constitutive_state(g,i,e)%p(1)
return return
endfunction endfunction
@ -559,7 +700,8 @@ endsubroutine
nStress, & nStress, &
aTol_crystalliteStress, & aTol_crystalliteStress, &
rTol_crystalliteStress, & rTol_crystalliteStress, &
relevantStrain relevantStrain, &
iJacoLpresiduum
use debug, only: debugger, & use debug, only: debugger, &
debug_cumLpCalls, & debug_cumLpCalls, &
debug_cumLpTicks, & debug_cumLpTicks, &
@ -574,7 +716,7 @@ endsubroutine
math_invert3x3, & math_invert3x3, &
math_invert, & math_invert, &
math_det3x3, & math_det3x3, &
math_i3, & math_I3, &
math_identity2nd, & math_identity2nd, &
math_Mandel66to3333, & math_Mandel66to3333, &
math_Mandel6to33, & math_Mandel6to33, &
@ -590,12 +732,10 @@ endsubroutine
!*** output variables ***! !*** output variables ***!
logical crystallite_integrateStress ! flag indicating if integration suceeded logical crystallite_integrateStress ! flag indicating if integration suceeded
!*** internal local variables ***! !*** local variables ***!
real(pReal), dimension(3,3):: Fg_current, & ! deformation gradient at start of timestep real(pReal), dimension(3,3):: Fg_new, & ! deformation gradient at end of timestep
Fg_new, & ! deformation gradient at end of timestep
Fp_current, & ! plastic deformation gradient at start of timestep Fp_current, & ! plastic deformation gradient at start of timestep
Fp_new, & ! plastic deformation gradient at end of timestep Fp_new, & ! plastic deformation gradient at end of timestep
Fe_current, & ! elastic deformation gradient at start of timestep
Fe_new, & ! elastic deformation gradient at end of timestep Fe_new, & ! elastic deformation gradient at end of timestep
invFp_new, & ! inverse of Fp_new invFp_new, & ! inverse of Fp_new
invFp_current, & ! inverse of Fp_current invFp_current, & ! inverse of Fp_current
@ -628,14 +768,14 @@ endsubroutine
k, & k, &
l, & l, &
m, & m, &
n n, &
jacoCounter ! counter to check for Jacobian update
integer(pLongInt) tick, & integer(pLongInt) tick, &
tock, & tock, &
tickrate, & tickrate, &
maxticks maxticks
!*** global variables ***! !*** global variables ***!
! crystallite_subF0
! crystallite_subF ! crystallite_subF
! crystallite_subFp0 ! crystallite_subFp0
! crystallite_Tstar_v ! crystallite_Tstar_v
@ -643,15 +783,14 @@ endsubroutine
! crystallite_subdt ! crystallite_subdt
! crystallite_Temperature ! crystallite_Temperature
if (debugger) write(6,*) '::: integrateStress started'
! be pessimistic ! be pessimistic
crystallite_integrateStress = .false. crystallite_integrateStress = .false.
! feed local variables ! feed local variables
Fg_current = crystallite_subF0(:,:,g,i,e)
Fg_new = crystallite_subF(:,:,g,i,e) Fg_new = crystallite_subF(:,:,g,i,e)
Fp_current = crystallite_subFp0(:,:,g,i,e) Fp_current = crystallite_subFp0(:,:,g,i,e)
Fe_current = math_mul33x33(Fg_current,math_inv3x3(Fp_current))
Tstar_v = crystallite_Tstar_v(:,g,i,e) Tstar_v = crystallite_Tstar_v(:,g,i,e)
Lpguess_old = crystallite_Lp(:,:,g,i,e) ! consider present Lp good (i.e. worth remembering) ... Lpguess_old = crystallite_Lp(:,:,g,i,e) ! consider present Lp good (i.e. worth remembering) ...
Lpguess = crystallite_Lp(:,:,g,i,e) ! ... and take it as first guess Lpguess = crystallite_Lp(:,:,g,i,e) ! ... and take it as first guess
@ -676,6 +815,7 @@ endsubroutine
NiterationStress = 0_pInt NiterationStress = 0_pInt
leapfrog = 1.0_pReal leapfrog = 1.0_pReal
maxleap = 1024.0_pReal maxleap = 1024.0_pReal
jacoCounter = 0_pInt
LpLoop: do LpLoop: do
@ -688,7 +828,7 @@ LpLoop: do
return return
endif endif
B = math_i3 - crystallite_subdt(g,i,e)*Lpguess B = math_I3 - crystallite_subdt(g,i,e)*Lpguess
BT = transpose(B) BT = transpose(B)
AB = math_mul33x33(A,B) AB = math_mul33x33(A,B)
BTA = math_mul33x33(BT,A) BTA = math_mul33x33(BT,A)
@ -733,6 +873,7 @@ LpLoop: do
) then ) then
maxleap = 0.5_pReal * leapfrog ! limit next acceleration maxleap = 0.5_pReal * leapfrog ! limit next acceleration
leapfrog = 1.0_pReal ! grinding halt leapfrog = 1.0_pReal ! grinding halt
jacoCounter = 0_pInt ! reset counter for Jacobian update (we want to do an update next time!)
! restore old residuum and Lp ! restore old residuum and Lp
Lpguess = Lpguess_old Lpguess = Lpguess_old
@ -741,19 +882,22 @@ LpLoop: do
! residuum got better ! residuum got better
else else
! calculate Jacobian for correction term ! calculate Jacobian for correction term
dTdLp = 0.0_pReal if (mod(jacoCounter, iJacoLpresiduum) == 0_pInt) then
forall (h=1:3,j=1:3,k=1:3,l=1:3,m=1:3,n=1:3) & dTdLp = 0.0_pReal
dTdLp(3*(h-1)+j,3*(k-1)+l) = dTdLp(3*(h-1)+j,3*(k-1)+l) + & forall (h=1:3,j=1:3,k=1:3,l=1:3,m=1:3,n=1:3) &
C(h,j,l,n)*AB(k,n)+C(h,j,m,l)*BTA(m,k) dTdLp(3*(h-1)+j,3*(k-1)+l) = dTdLp(3*(h-1)+j,3*(k-1)+l) + &
dTdLp = -0.5_pReal*crystallite_subdt(g,i,e)*dTdLp C(h,j,l,n)*AB(k,n)+C(h,j,m,l)*BTA(m,k)
dRdLp = math_identity2nd(9) - math_mul99x99(dLp_constitutive,dTdLp) dTdLp = -0.5_pReal*crystallite_subdt(g,i,e)*dTdLp
invdRdLp = 0.0_pReal dRdLp = math_identity2nd(9) - math_mul99x99(dLp_constitutive,dTdLp)
call math_invert(9,dRdLp,invdRdLp,dummy,error) ! invert dR/dLp --> dLp/dR invdRdLp = 0.0_pReal
if (error) then call math_invert(9,dRdLp,invdRdLp,dummy,error) ! invert dR/dLp --> dLp/dR
if (debugger) write(6,*) '::: integrateStress failed on dR/dLp inversion at iteration', NiterationStress if (error) then
return if (debugger) write(6,*) '::: integrateStress failed on dR/dLp inversion at iteration', NiterationStress
return
endif
endif endif
jacoCounter = jacoCounter + 1_pInt ! increase counter for jaco update
! remember current residuum and Lpguess ! remember current residuum and Lpguess
residuum_old = residuum residuum_old = residuum
Lpguess_old = Lpguess Lpguess_old = Lpguess
@ -791,7 +935,12 @@ LpLoop: do
! set return flag to true ! set return flag to true
crystallite_integrateStress = .true. crystallite_integrateStress = .true.
if (debugger) write(6,*) '::: integrateStress finished at iteration', NiterationStress if (debugger) then
write(6,*) '::: integrateStress converged at iteration', NiterationStress
write(6,*)
write(6,'(a,/,3(3(e15.7,x)/))') 'P of 1 1 1',crystallite_P(:,:,1,1,1)
write(6,'(a,/,3(3(f12.7,x)/))') 'Lp of 1 1 1',crystallite_Lp(:,:,1,1,1)
endif
!$OMP CRITICAL (distributionStress) !$OMP CRITICAL (distributionStress)
debug_StressLoopDistribution(NiterationStress) = debug_StressLoopDistribution(NiterationStress) + 1 debug_StressLoopDistribution(NiterationStress) = debug_StressLoopDistribution(NiterationStress) + 1
@ -803,6 +952,7 @@ LpLoop: do
!******************************************************************** !********************************************************************
! return results of particular grain ! return results of particular grain
!******************************************************************** !********************************************************************
@ -815,21 +965,40 @@ function crystallite_postResults(&
e & ! element number e & ! element number
) )
use prec, only: pInt,pReal !*** variables and functions from other modules ***!
use math, only: math_pDecomposition,math_RtoEuler, inDeg use prec, only: pInt, &
use IO, only: IO_warning pReal
use material, only: material_phase,material_volume use math, only: math_pDecomposition, &
use constitutive, only: constitutive_sizePostResults, constitutive_postResults math_RtoEuler, &
inDeg
use IO, only: IO_warning
use material, only: material_phase, &
material_volume
use constitutive, only: constitutive_sizePostResults, &
constitutive_postResults
implicit none implicit none
integer(pInt), intent(in) :: g,i,e !*** input variables ***!
real(pReal), intent(in) :: Temperature,dt integer(pInt), intent(in):: e, & ! element index
real(pReal), dimension(6), intent(in) :: Tstar_v i, & ! integration point index
real(pReal), dimension(3,3) :: U,R g ! grain index
logical error real(pReal), intent(in):: Temperature, & ! temperature
dt ! time increment
real(pReal), dimension(6), intent(in):: Tstar_v ! 2nd Piola-Kirchhoff stress in Mandel notation
!*** output variables ***!
real(pReal), dimension(crystallite_Nresults + constitutive_sizePostResults(g,i,e)) :: crystallite_postResults real(pReal), dimension(crystallite_Nresults + constitutive_sizePostResults(g,i,e)) :: crystallite_postResults
!*** local variables ***!
real(pReal), dimension(3,3) :: U, &
R
logical error
!*** global variables ***!
! crystallite_Nresults
! crystallite_Fe
if (crystallite_Nresults >= 2) then if (crystallite_Nresults >= 2) then
crystallite_postResults(1) = material_phase(g,i,e) crystallite_postResults(1) = material_phase(g,i,e)
crystallite_postResults(2) = material_volume(g,i,e) crystallite_postResults(2) = material_volume(g,i,e)

4
trunk/documentation/NSD/crystallite_integrateStress.nsd
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@ -1,7 +1,7 @@
<?xml version="1.0" encoding="ISO-8859-1"?> <?xml version="1.0" encoding="ISO-8859-1"?>
<root text="&#34;crystallite_integrateStress&#34;" comment="" color="ffffff" type="sub" style="nice"> <root text="&#34;crystallite_integrateStress&#34;" comment="" color="ffffff" type="sub" style="nice">
<children> <children>
<instruction text="&#34;Fg_new = crystallite_subF&#34;,&#34;Fp_current = crystallite_subFp0&#34;,&#34;Tstar_v = crystallite_Tstar_v&#34;,&#34;Lpguess_old = crystallite_Lp&#34;,&#34;Lpguess = crystallite_Lp&#34;,&#34;crystallite_integrateStress = .false. &#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction> <instruction text="&#34;Fg_new = crystallite_subF&#34;,&#34;Fp_current = crystallite_subFp0&#34;,&#34;Tstar_v = crystallite_Tstar_v&#34;,&#34;Lpguess_old = crystallite_Lp&#34;,&#34;Lpguess = crystallite_Lp&#34;,&#34;crystallite_integrateStress = .false. &#34;" comment="" color="ffffff" rotated="0"></instruction>
<call text="&#34;invFp_current = math_inv3x3(Fp_current)&#34;" comment="" color="ffffff"></call> <call text="&#34;invFp_current = math_inv3x3(Fp_current)&#34;" comment="" color="ffffff"></call>
<alternative text="&#34;invFp_current == 0.0&#34;" comment="" color="ffffff"> <alternative text="&#34;invFp_current == 0.0&#34;" comment="" color="ffffff">
<qTrue> <qTrue>
@ -13,7 +13,7 @@
<instruction text="&#34;A = invFp_current ^T * Fg_new ^T * Fg_new * invFp_current&#34;" comment="" color="ffffff" rotated="0"></instruction> <instruction text="&#34;A = invFp_current ^T * Fg_new ^T * Fg_new * invFp_current&#34;" comment="" color="ffffff" rotated="0"></instruction>
<call text="&#34;constitutive_microstructure&#34;" comment="" color="ffffff"></call> <call text="&#34;constitutive_microstructure&#34;" comment="" color="ffffff"></call>
<call text="&#34;C = math_Mandel66to3333( constitutive_homogenizedC ( ) )&#34;" comment="" color="ffffff"></call> <call text="&#34;C = math_Mandel66to3333( constitutive_homogenizedC ( ) )&#34;" comment="" color="ffffff"></call>
<instruction text="&#34;NiterationStress = 0&#34;,&#34;leapfrog = 1.0&#34;,&#34;maxleap = 1024.0&#34;" comment="" color="ffffff" rotated="0"></instruction> <instruction text="&#34;NiterationStress = 0&#34;,&#34;leapfrog = 1.0&#34;,&#34;maxleap = 1024.0&#34;,&#34;jacoCounter = 0&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction>
<forever text="" comment="" color="ffffff"> <forever text="" comment="" color="ffffff">
<qForever> <qForever>
<instruction text="&#34;LP LOOP (see crystallite_integrateStress_LpLoop)&#34;" comment="" color="ffffff" rotated="0"></instruction> <instruction text="&#34;LP LOOP (see crystallite_integrateStress_LpLoop)&#34;" comment="" color="ffffff" rotated="0"></instruction>

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26
trunk/documentation/NSD/crystallite_integrateStress_LpLoop.nsd
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@ -1,5 +1,5 @@
<?xml version="1.0" encoding="ISO-8859-1"?> <?xml version="1.0" encoding="ISO-8859-1"?>
<root text="&#34;crystallite_integrateStress LpLoop&#34;" comment="&#34;&#34;" color="ffffff" type="sub" style="nice"> <root text="&#34;crystallite_integrateStress LpLoop&#34;" comment="" color="ffffff" type="sub" style="nice">
<children> <children>
<instruction text="&#34;NiterationStress = NiterationStress + 1&#34;" comment="" color="ffffff" rotated="0"></instruction> <instruction text="&#34;NiterationStress = NiterationStress + 1&#34;" comment="" color="ffffff" rotated="0"></instruction>
<alternative text="&#34;NiterationStress &#62; nStress&#34;" comment="" color="ffffff"> <alternative text="&#34;NiterationStress &#62; nStress&#34;" comment="" color="ffffff">
@ -12,33 +12,39 @@
<instruction text="&#34;B = math_i3 - crystallite_subdt(g,i,e)*Lpguess&#34;,&#34;Tstar_v = 0.5 * C * (B^T * A * B - math_I3)&#34;,&#34;p_hydro = sum(Tstar_v(1:3))/3.0&#34;,&#34;forall (i=1:3) Tstar_v(i) = Tstar_v(i) - p_hydro&#34;" comment="" color="ffffff" rotated="0"></instruction> <instruction text="&#34;B = math_i3 - crystallite_subdt(g,i,e)*Lpguess&#34;,&#34;Tstar_v = 0.5 * C * (B^T * A * B - math_I3)&#34;,&#34;p_hydro = sum(Tstar_v(1:3))/3.0&#34;,&#34;forall (i=1:3) Tstar_v(i) = Tstar_v(i) - p_hydro&#34;" comment="" color="ffffff" rotated="0"></instruction>
<call text="&#34;[Lp_constitutive, dLp_constitutive] = constitutive_LpAndItsTangent (Tstar_v, crystallite_Temperature)&#34;" comment="" color="ffffff"></call> <call text="&#34;[Lp_constitutive, dLp_constitutive] = constitutive_LpAndItsTangent (Tstar_v, crystallite_Temperature)&#34;" comment="" color="ffffff"></call>
<instruction text="&#34;residuum = Lpguess - Lp_constitutive&#34;" comment="" color="ffffff" rotated="0"></instruction> <instruction text="&#34;residuum = Lpguess - Lp_constitutive&#34;" comment="" color="ffffff" rotated="0"></instruction>
<alternative text="&#34;no NaN ocuured in residuum&#34;,&#34;.and. (residuum below absolute tolerance .or. (above relevant strain .and. residuum below relative tolerance))&#34;" comment="&#34;&#34;" color="ffffff"> <alternative text="&#34;no NaN ocuured in residuum&#34;,&#34;.and. (residuum below absolute tolerance .or. (above relevant strain .and. residuum below relative tolerance))&#34;" comment="" color="ffffff">
<qTrue> <qTrue>
<jump text="&#34;LOOP CONVERGED: exit LpLoop&#34;" comment="" color="ffffff"></jump> <jump text="&#34;LOOP CONVERGED: exit LpLoop&#34;" comment="" color="ffffff"></jump>
</qTrue> </qTrue>
<qFalse> <qFalse>
</qFalse> </qFalse>
</alternative> </alternative>
<alternative text="&#34;NaN occured in residuum .and. leapfrog == 1.0&#34;" comment="&#34;&#34;" color="ffffff"> <alternative text="&#34;NaN occured in residuum .and. leapfrog == 1.0&#34;" comment="" color="ffffff">
<qTrue> <qTrue>
<instruction text="&#34;NO CONVERGENCE: return&#34;" comment="" color="ffffff" rotated="0"></instruction> <instruction text="&#34;NO CONVERGENCE: return&#34;" comment="" color="ffffff" rotated="0"></instruction>
</qTrue> </qTrue>
<qFalse> <qFalse>
<alternative text="&#34;leapfrog &#62; 1.0&#34;,&#34;.and. (worse residuum .or. residuum changed sign .or. NaN occured)&#34;" comment="&#34;&#34;" color="ffffff"> <alternative text="&#34;leapfrog &#62; 1.0&#34;,&#34;.and. (worse residuum .or. residuum changed sign .or. NaN occured)&#34;" comment="" color="ffffff">
<qTrue> <qTrue>
<instruction text="&#34;maxleap = 0.5 * leapfrog&#34;,&#34;leapfrog = 1.0&#34;,&#34;Lpguess = Lpguess_old&#34;,&#34;residuum = residuum_old&#34;" comment="" color="ffffff" rotated="0"></instruction> <instruction text="&#34;maxleap = 0.5 * leapfrog&#34;,&#34;leapfrog = 1.0&#34;,&#34;jacoCounter = 0&#34;,&#34;Lpguess = Lpguess_old&#34;,&#34;residuum = residuum_old&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction>
</qTrue> </qTrue>
<qFalse> <qFalse>
<instruction text="&#34;dTdLp = - 0.5 * crystallite_subdt * C * (A*B + B^T*A)&#34;,&#34;dRdLp = math_identity2nd(9) - dLp_constitutive * dTdLp&#34;" comment="" color="ffffff" rotated="0"></instruction> <alternative text="&#34;mod(jacoCounter,iJacoLpresiduum) == 0&#34;" comment="&#34;&#34;" color="ffffff">
<call text="&#34;[invdRdLp,dummy,error] = math_invert(9,dRdLp)&#34;" comment="" color="ffffff"></call>
<alternative text="&#34;error&#34;" comment="" color="ffffff">
<qTrue> <qTrue>
<instruction text="&#34;INVERSION FAILED: return&#34;" comment="" color="ffffff" rotated="0"></instruction> <instruction text="&#34;dTdLp = - 0.5 * crystallite_subdt * C * (A*B + B^T*A)&#34;,&#34;dRdLp = math_identity2nd(9) - dLp_constitutive * dTdLp&#34;" comment="" color="ffffff" rotated="0"></instruction>
<call text="&#34;[invdRdLp,dummy,error] = math_invert(9,dRdLp)&#34;" comment="" color="ffffff"></call>
<alternative text="&#34;error&#34;" comment="" color="ffffff">
<qTrue>
<instruction text="&#34;INVERSION FAILED: return&#34;" comment="" color="ffffff" rotated="0"></instruction>
</qTrue>
<qFalse>
</qFalse>
</alternative>
</qTrue> </qTrue>
<qFalse> <qFalse>
</qFalse> </qFalse>
</alternative> </alternative>
<instruction text="&#34;residuum_old = residuum&#34;,&#34;Lpguess_old = Lpguess&#34;" comment="" color="ffffff" rotated="0"></instruction> <instruction text="&#34;jacoCounter = jacoCounter + 1&#34;,&#34;residuum_old = residuum&#34;,&#34;Lpguess_old = Lpguess&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction>
<alternative text="&#34;NiterationStress &#62; 1 .and. leapfrog &#60; maxleap&#34;" comment="" color="ffffff"> <alternative text="&#34;NiterationStress &#62; 1 .and. leapfrog &#60; maxleap&#34;" comment="" color="ffffff">
<qTrue> <qTrue>
<instruction text="&#34;leapfrog = 2.0 * leapfrog&#34;" comment="" color="ffffff" rotated="0"></instruction> <instruction text="&#34;leapfrog = 2.0 * leapfrog&#34;" comment="" color="ffffff" rotated="0"></instruction>

28243
trunk/documentation/NSD/crystallite_integrateStress_LpLoop.pdf
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4
trunk/documentation/NSD/crystallite_stressAndItsTangent.pdf
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@ -9,8 +9,8 @@
/Keywords () /Keywords ()
/Creator (FreeHEP Graphics2D Driver) /Creator (FreeHEP Graphics2D Driver)
/Producer (org.freehep.graphicsio.pdf.PDFGraphics2D Revision: 10516 ) /Producer (org.freehep.graphicsio.pdf.PDFGraphics2D Revision: 10516 )
/CreationDate (D:20090602174456+02'00') /CreationDate (D:20090609115952+02'00')
/ModDate (D:20090602174456+02'00') /ModDate (D:20090609115952+02'00')
/Trapped /False /Trapped /False
>> >>
endobj endobj

31
trunk/documentation/NSD/crystallite_stressAndItsTangent_CrystalliteLoop.nsd
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@ -1,51 +1,52 @@
<?xml version="1.0" encoding="ISO-8859-1"?> <?xml version="1.0" encoding="ISO-8859-1"?>
<root text="&#34;crystallite_stressAndItsTangent (Crystallite Loop)&#34;" comment="&#34;&#34;" color="ffffff" type="sub" style="nice"> <root text="&#34;crystallite_stressAndItsTangent (Crystallite Loop)&#34;" comment="" color="ffffff" type="sub" style="nice">
<children> <children>
<instruction text="&#34;NiterationCrystallite = NiterationCrystallite + 1&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction> <instruction text="&#34;NiterationCrystallite = NiterationCrystallite + 1&#34;" comment="" color="ffffff" rotated="0"></instruction>
<alternative text="&#34;any: .not. crystallite_converged .and. .not. crystallite_localConstitution&#34;" comment="&#34;&#34;" color="ffffff"> <alternative text="&#34;any: .not. crystallite_converged .and. .not. crystallite_localConstitution&#34;" comment="" color="ffffff">
<qTrue> <qTrue>
<instruction text="&#34;all: crystallite_converged = crystallite_converged .and. crystallite_localConstitution&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction> <instruction text="&#34;all: crystallite_converged = crystallite_converged .and. crystallite_localConstitution&#34;" comment="" color="ffffff" rotated="0"></instruction>
</qTrue> </qTrue>
<qFalse> <qFalse>
</qFalse> </qFalse>
</alternative> </alternative>
<alternative text="&#34;crystallite_converged&#34;" comment="" color="ffffff"> <alternative text="&#34;crystallite_converged&#34;" comment="" color="ffffff">
<qTrue> <qTrue>
<instruction text="&#34;WINDING FORWARD: &#34;,&#34;crystallite_subFrac = crystallite_subFrac + crystallite_subStep&#34;,&#34;crystallite_subStep = min(1.0 - _crystallite_subFrac, 2.0 * crystallite_subStep)&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction> <instruction text="&#34;WINDING FORWARD: &#34;,&#34;crystallite_subFrac = crystallite_subFrac + crystallite_subStep&#34;,&#34;crystallite_subStep = min(1.0 - _crystallite_subFrac, 2.0 * crystallite_subStep)&#34;" comment="" color="ffffff" rotated="0"></instruction>
<alternative text="&#34;crystallite_subStep &#62; subStepMin&#34;" comment="" color="ffffff"> <alternative text="&#34;crystallite_subStep &#62; subStepMin&#34;" comment="" color="ffffff">
<qTrue> <qTrue>
<instruction text="&#34;crystallite_subF0 = crystallite_subF&#34;,&#34;crystallite_subFp0 = crystallite_Fp&#34;,&#34;crystallite_subLp0 = crystallite_Lp&#34;,&#34;constitutive_subState0 = crystallite_state&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction> <instruction text="&#34;crystallite_subF0 = crystallite_subF&#34;,&#34;crystallite_subFp0 = crystallite_Fp&#34;,&#34;crystallite_subLp0 = crystallite_Lp&#34;,&#34;constitutive_subState0 = crystallite_state&#34;" comment="" color="ffffff" rotated="0"></instruction>
</qTrue> </qTrue>
<qFalse> <qFalse>
</qFalse> </qFalse>
</alternative> </alternative>
</qTrue> </qTrue>
<qFalse> <qFalse>
<instruction text="&#34;CUTBACK:&#34;,&#34;crystallite_subStep = 0.5 * crystallite_subStep&#34;,&#34;crystallite_Fp = crystallite_subFp0&#34;,&#34;crystallite_Lp = crystallite_subLp0&#34;,&#34;constitutive_state = crystallite_subState0&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction> <instruction text="&#34;CUTBACK:&#34;,&#34;crystallite_subStep = 0.5 * crystallite_subStep&#34;,&#34;crystallite_Fp = crystallite_subFp0&#34;,&#34;crystallite_Lp = crystallite_subLp0&#34;,&#34;constitutive_state = crystallite_subState0&#34;" comment="" color="ffffff" rotated="0"></instruction>
</qFalse> </qFalse>
</alternative> </alternative>
<instruction text="&#34;crystallite_onTrack = crystallite_subStep &#62; subStepMin&#34;" comment="" color="ffffff" rotated="0"></instruction> <instruction text="&#34;crystallite_onTrack = crystallite_subStep &#62; subStepMin&#34;" comment="" color="ffffff" rotated="0"></instruction>
<alternative text="&#34;crystallite_onTrack&#34;" comment="" color="ffffff"> <alternative text="&#34;crystallite_onTrack&#34;" comment="" color="ffffff">
<qTrue> <qTrue>
<instruction text="&#34;crystallite_subF = crystallite_subF0 + crystallite_subStep * ( crystallite_partionedF - crystallite_partionedF0)&#34;,&#34;crystallite_subdt = crystallite_subStep * crystallite_dt&#34;,&#34;crystallite_converged = .false.&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction> <instruction text="&#34;crystallite_subF = crystallite_subF0 + crystallite_subStep * ( crystallite_partionedF - crystallite_partionedF0)&#34;,&#34;crystallite_subdt = crystallite_subStep * crystallite_dt&#34;,&#34;crystallite_converged = .false.&#34;" comment="" color="ffffff" rotated="0"></instruction>
</qTrue> </qTrue>
<qFalse> <qFalse>
</qFalse> </qFalse>
</alternative> </alternative>
<instruction text="&#34;NiterationState = 0&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction> <instruction text="&#34;NiterationState = 0&#34;" comment="" color="ffffff" rotated="0"></instruction>
<for text="&#34;STATE LOOP: any: crystallite_requested .and. crystallite_onTrack .and. .not. crystallite_converged&#34;,&#34; .and. NiterationState &#60; ncryst&#34;" comment="&#34;&#34;" color="ffffff"> <for text="&#34;STATE LOOP: any: crystallite_requested .and. crystallite_onTrack .and. .not. crystallite_converged&#34;,&#34; .and. NiterationState &#60; ncryst&#34;" comment="" color="ffffff">
<qFor> <qFor>
<instruction text="&#34;NiterationState = NiterationState + 1&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction> <instruction text="&#34;NiterationState = NiterationState + 1&#34;" comment="" color="ffffff" rotated="0"></instruction>
<alternative text="&#34;crystallite_requested .and. crystallite_onTrack&#34;" comment="&#34;&#34;" color="ffffff"> <alternative text="&#34;crystallite_requested .and. crystallite_onTrack .and. .not. crystallite_converged&#34;" comment="&#34;&#34;" color="ffffff">
<qTrue> <qTrue>
<call text="&#34;crystallite_onTrack = crystallite_integrateStress&#34;" comment="" color="ffffff"></call> <call text="&#34;crystallite_stateConverged = crystallite_updateState&#34;" comment="&#34;&#34;" color="ffffff"></call>
</qTrue> </qTrue>
<qFalse> <qFalse>
</qFalse> </qFalse>
</alternative> </alternative>
<alternative text="&#34;crystallite_requested .and. crystallite_onTrack&#34;" comment="&#34;&#34;" color="ffffff"> <alternative text="&#34;crystallite_requested .and. crystallite_onTrack .and. .not. crystallite_converged&#34;" comment="&#34;&#34;" color="ffffff">
<qTrue> <qTrue>
<call text="&#34;crystallite_converged = crystallite_updateState&#34;" comment="" color="ffffff"></call> <call text="&#34;crystallite_stressConverged = crystallite_integrateStress&#34;" comment="&#34;&#34;" color="ffffff"></call>
<instruction text="&#34;crystallite_onTrack = crystallite_stressConverged&#34;,&#34;crystallite_converged = crystallite_stateConverged .and. crystallite_stressConverged&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction>
</qTrue> </qTrue>
<qFalse> <qFalse>
</qFalse> </qFalse>

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trunk/documentation/NSD/crystallite_stressAndItsTangent_CrystalliteLoop.pdf
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35
trunk/documentation/NSD/crystallite_stressAndItsTangent_StiffnessCalculation.nsd
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@ -1,43 +1,38 @@
<?xml version="1.0" encoding="ISO-8859-1"?> <?xml version="1.0" encoding="ISO-8859-1"?>
<root text="&#34;crystallite_stressAndItsTangent (stiffness calculation)&#34;" comment="" color="ffffff" type="sub" style="nice"> <root text="&#34;crystallite_stressAndItsTangent (stiffness calculation)&#34;" comment="" color="ffffff" type="sub" style="nice">
<children> <children>
<alternative text="&#34;crystallite_converged&#34;" comment="&#34;&#34;" color="ffffff"> <alternative text="&#34;crystallite_converged&#34;" comment="" color="ffffff">
<qTrue> <qTrue>
<instruction text="&#34;myState = constitutive_state&#34;,&#34;myF = crystallite_subF&#34;,&#34;myFp = crystallite_Fp&#34;,&#34;myFe = crystallite_Fe&#34;,&#34;myLp = crystallite_Lp&#34;,&#34;myP = crystallite_P&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction> <instruction text="&#34;myState = constitutive_state&#34;,&#34;myF = crystallite_subF&#34;,&#34;myFp = crystallite_Fp&#34;,&#34;myFe = crystallite_Fe&#34;,&#34;myLp = crystallite_Lp&#34;,&#34;myP = crystallite_P&#34;" comment="" color="ffffff" rotated="0"></instruction>
<for text="&#34;k = 1 , 3&#34;" comment="&#34;&#34;" color="ffffff"> <for text="&#34;k = 1 , 3&#34;" comment="" color="ffffff">
<qFor> <qFor>
<while text="&#34;l = 1 , 3&#34;" comment="&#34;&#34;" color="ffffff"> <while text="&#34;l = 1 , 3&#34;" comment="" color="ffffff">
<qWhile> <qWhile>
<instruction text="&#34;crystallite_subF(:,:) = myF&#34;,&#34;crystallite_subF(k,l) = crystallite_subF(k,l) + pert_Fg&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction> <instruction text="&#34;crystallite_subF(:,:) = myF&#34;,&#34;crystallite_subF(k,l) = crystallite_subF(k,l) + pert_Fg&#34;" comment="" color="ffffff" rotated="0"></instruction>
<instruction text="&#34;onTrack = .true.&#34;,&#34;converged = .false.&#34;,&#34;NiterationState = 0&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction> <instruction text="&#34;onTrack = .true.&#34;,&#34;converged = .false.&#34;,&#34;NiterationState = 0&#34;" comment="" color="ffffff" rotated="0"></instruction>
<for text="&#34;STIFFNESS LOOP: .not. converged .and. onTrack .and. NiterationState &#60; nState&#34;" comment="&#34;&#34;" color="ffffff"> <for text="&#34;STIFFNESS LOOP: .not. converged .and. onTrack .and. NiterationState &#60; nState&#34;" comment="" color="ffffff">
<qFor> <qFor>
<instruction text="&#34;NiterationState = NiterationState + 1&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction> <instruction text="&#34;NiterationState = NiterationState + 1&#34;" comment="" color="ffffff" rotated="0"></instruction>
<call text="&#34;onTrack = crystallite_integrateStress&#34;" comment="&#34;&#34;" color="ffffff"></call> <call text="&#34;converged = crystallite_updateState&#34;" comment="" color="ffffff"></call>
<alternative text="&#34;onTrack&#34;" comment="&#34;&#34;" color="ffffff"> <call text="&#34;onTrack = crystallite_integrateStress&#34;" comment="" color="ffffff"></call>
<qTrue> <instruction text="&#34;converged = onTrack .and. converged&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction>
<call text="&#34;converged = crystallite_updateState&#34;" comment="&#34;&#34;" color="ffffff"></call>
</qTrue>
<qFalse>
</qFalse>
</alternative>
</qFor> </qFor>
</for> </for>
<alternative text="&#34;converged&#34;" comment="&#34;&#34;" color="ffffff"> <alternative text="&#34;converged&#34;" comment="" color="ffffff">
<qTrue> <qTrue>
<instruction text="&#34;crystallite_dPdF = ( crystallite_P - myP ) / pert_Fg&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction> <instruction text="&#34;crystallite_dPdF = ( crystallite_P - myP ) / pert_Fg&#34;" comment="" color="ffffff" rotated="0"></instruction>
</qTrue> </qTrue>
<qFalse> <qFalse>
</qFalse> </qFalse>
</alternative> </alternative>
<instruction text="&#34;constitutive_state = myState&#34;,&#34;crystallite_Fp = myFp&#34;,&#34;crystallite_Fe = myFe&#34;,&#34;crystallite_Lp = myLp&#34;,&#34;crystallite_P = myP&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction> <instruction text="&#34;constitutive_state = myState&#34;,&#34;crystallite_Fp = myFp&#34;,&#34;crystallite_Fe = myFe&#34;,&#34;crystallite_Lp = myLp&#34;,&#34;crystallite_P = myP&#34;" comment="" color="ffffff" rotated="0"></instruction>
</qWhile> </qWhile>
</while> </while>
</qFor> </qFor>
</for> </for>
</qTrue> </qTrue>
<qFalse> <qFalse>
<instruction text="&#34;crystallite_dPdF = crystallite_fallbackdPdF&#34;" comment="&#34;&#34;" color="ffffff" rotated="0"></instruction> <instruction text="&#34;crystallite_dPdF = crystallite_fallbackdPdF&#34;" comment="" color="ffffff" rotated="0"></instruction>
</qFalse> </qFalse>
</alternative> </alternative>
</children> </children>

10517
trunk/documentation/NSD/crystallite_stressAndItsTangent_StiffnessCalculation.pdf
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4
trunk/mpie_cpfem_marc.f90
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@ -123,7 +123,7 @@ subroutine hypela2(&
ifu & ! set to 1 if stretch has been calculated ifu & ! set to 1 if stretch has been calculated
) )
use prec, only: pReal,pInt, ijaco use prec, only: pReal,pInt, iJacoStiffness
use FEsolving use FEsolving
use CPFEM, only: CPFEM_general use CPFEM, only: CPFEM_general
use math, only: invnrmMandel use math, only: invnrmMandel
@ -186,7 +186,7 @@ subroutine hypela2(&
theCycle = ncycle ! record current cycle count theCycle = ncycle ! record current cycle count
theLovl = lovl ! record current lovl theLovl = lovl ! record current lovl
call CPFEM_general(computationMode,ffn,ffn1,t(1),timinc,n(1),nn,s,mod(cycleCounter-4,4_pInt*ijaco)==0,d,ngens) call CPFEM_general(computationMode,ffn,ffn1,t(1),timinc,n(1),nn,s,mod(cycleCounter-4,4_pInt*iJacoStiffness)==0,d,ngens)
! Mandel: 11, 22, 33, SQRT(2)*12, SQRT(2)*23, SQRT(2)*13 ! Mandel: 11, 22, 33, SQRT(2)*12, SQRT(2)*23, SQRT(2)*13
! Marc: 11, 22, 33, 12, 23, 13 ! Marc: 11, 22, 33, 12, 23, 13

30
trunk/prec.f90
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@ -6,9 +6,9 @@
implicit none implicit none
! *** Precision of real and integer variables *** ! *** Precision of real and integer variables ***
integer, parameter :: pReal = selected_real_kind(15,300) ! 15 significant digits, up to 1e+-300 integer, parameter :: pReal = selected_real_kind(15,300) ! 15 significant digits, up to 1e+-300
integer, parameter :: pInt = selected_int_kind(9) ! up to +- 1e9 integer, parameter :: pInt = selected_int_kind(9) ! up to +- 1e9
integer, parameter :: pLongInt = 8 ! should be 64bit integer, parameter :: pLongInt = 8 ! should be 64bit
type :: p_vec type :: p_vec
@ -19,21 +19,21 @@
real(pReal), parameter :: relevantStrain = 1.0e-7_pReal real(pReal), parameter :: relevantStrain = 1.0e-7_pReal
! *** Numerical parameters *** ! *** Numerical parameters ***
integer(pInt), parameter :: ijaco = 1_pInt ! frequency of FEM Jacobi update integer(pInt), parameter :: iJacoStiffness = 1_pInt ! frequency of stiffness update
real(pReal), parameter :: pert_Fg = 1.0e-6_pReal ! strain perturbation for FEM Jacobi integer(pInt), parameter :: iJacoLpresiduum = 6_pInt ! frequency of Jacobian update of residuum in Lp
integer(pInt), parameter :: nReg = 1_pInt ! regularization attempts for Jacobi inversion real(pReal), parameter :: pert_Fg = 1.0e-6_pReal ! strain perturbation for FEM Jacobi
integer(pInt), parameter :: nHomog = 10_pInt ! homogenization loop limit integer(pInt), parameter :: nHomog = 10_pInt ! homogenization loop limit
integer(pInt), parameter :: nCryst = 20_pInt ! crystallite loop limit (only for debugging info, real loop limit is "subStepMin") integer(pInt), parameter :: nCryst = 20_pInt ! crystallite loop limit (only for debugging info, real loop limit is "subStepMin")
integer(pInt), parameter :: nState = 10_pInt ! state loop limit integer(pInt), parameter :: nState = 10_pInt ! state loop limit
integer(pInt), parameter :: nStress = 40_pInt ! stress loop limit integer(pInt), parameter :: nStress = 40_pInt ! stress loop limit
real(pReal), parameter :: rTol_crystalliteState = 1.0e-5_pReal ! relative tolerance in crystallite state loop real(pReal), parameter :: rTol_crystalliteState = 1.0e-5_pReal ! relative tolerance in crystallite state loop
real(pReal), parameter :: rTol_crystalliteStress = 1.0e-6_pReal ! relative tolerance in crystallite stress loop real(pReal), parameter :: rTol_crystalliteStress = 1.0e-6_pReal ! relative tolerance in crystallite stress loop
real(pReal), parameter :: aTol_crystalliteStress = 1.0e-8_pReal ! absolute tolerance in crystallite stress loop real(pReal), parameter :: aTol_crystalliteStress = 1.0e-8_pReal ! absolute tolerance in crystallite stress loop
real(pReal), parameter :: subStepMin = 1.0e-3_pReal ! minimum (relative) size of sub-step allowed during cutback in crystallite
! !
real(pReal), parameter :: resToler = 1.0e-4_pReal ! relative tolerance of residual in GIA iteration real(pReal), parameter :: resToler = 1.0e-4_pReal ! relative tolerance of residual in GIA iteration
real(pReal), parameter :: resAbsol = 1.0e+2_pReal ! absolute tolerance of residual in GIA iteration (corresponds to ~1 Pa) real(pReal), parameter :: resAbsol = 1.0e+2_pReal ! absolute tolerance of residual in GIA iteration (corresponds to ~1 Pa)
real(pReal), parameter :: resBound = 1.0e+1_pReal ! relative maximum value (upper bound) for GIA residual real(pReal), parameter :: resBound = 1.0e+1_pReal ! relative maximum value (upper bound) for GIA residual
integer(pInt), parameter :: NRiterMax = 24_pInt ! maximum number of GIA iteration integer(pInt), parameter :: NRiterMax = 24_pInt ! maximum number of GIA iteration
real(pReal), parameter :: subStepMin = 1.0e-3_pReal ! minimum (relative) size of sub-step allowed during cutback
END MODULE prec END MODULE prec