DAMASK_EICMD/src/homogenization.f90

371 lines
17 KiB
Fortran

!--------------------------------------------------------------------------------------------------
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Denny Tjahjanto, Max-Planck-Institut für Eisenforschung GmbH
!> @brief homogenization manager, organizing deformation partitioning and stress homogenization
!--------------------------------------------------------------------------------------------------
module homogenization
use prec
use IO
use config
use math
use material
use constitutive
use discretization
use thermal_isothermal
use thermal_conduction
use damage_none
use damage_nonlocal
use results
implicit none
private
logical, public :: &
terminallyIll = .false. !< at least one material point is terminally ill
!--------------------------------------------------------------------------------------------------
! General variables for the homogenization at a material point
real(pReal), dimension(:,:,:), allocatable, public :: &
homogenization_F0, & !< def grad of IP at start of FE increment
homogenization_F !< def grad of IP to be reached at end of FE increment
real(pReal), dimension(:,:,:), allocatable, public :: & !, protected :: & Issue with ifort
homogenization_P !< first P--K stress of IP
real(pReal), dimension(:,:,:,:,:), allocatable, public :: & !, protected :: &
homogenization_dPdF !< tangent of first P--K stress at IP
!--------------------------------------------------------------------------------------------------
type :: tNumerics
integer :: &
nMPstate !< materialpoint state loop limit
real(pReal) :: &
subStepMinHomog, & !< minimum (relative) size of sub-step allowed during cutback in homogenization
subStepSizeHomog, & !< size of first substep when cutback in homogenization
stepIncreaseHomog !< increase of next substep size when previous substep converged in homogenization
end type tNumerics
type(tNumerics) :: num
!--------------------------------------------------------------------------------------------------
interface
module subroutine mech_init(num_homog)
class(tNode), pointer, intent(in) :: &
num_homog !< pointer to mechanical homogenization numerics data
end subroutine mech_init
module subroutine mech_partition(subF,ip,el)
real(pReal), intent(in), dimension(3,3) :: &
subF
integer, intent(in) :: &
ip, & !< integration point
el !< element number
end subroutine mech_partition
module subroutine mech_homogenize(ip,el)
integer, intent(in) :: &
ip, & !< integration point
el !< element number
end subroutine mech_homogenize
module subroutine mech_results(group_base,h)
character(len=*), intent(in) :: group_base
integer, intent(in) :: h
end subroutine mech_results
! -------- ToDo ---------------------------------------------------------
module function mech_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
logical, dimension(2) :: mech_RGC_updateState
real(pReal), dimension(:,:,:), intent(in) :: &
P,& !< partitioned stresses
F,& !< partitioned deformation gradients
F0 !< partitioned initial deformation gradients
real(pReal), dimension(:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
real(pReal), dimension(3,3), intent(in) :: avgF !< average F
real(pReal), intent(in) :: dt !< time increment
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
end function mech_RGC_updateState
end interface
! -----------------------------------------------------------------------
public :: &
homogenization_init, &
materialpoint_stressAndItsTangent, &
homogenization_forward, &
homogenization_results
contains
!--------------------------------------------------------------------------------------------------
!> @brief module initialization
!--------------------------------------------------------------------------------------------------
subroutine homogenization_init
class (tNode) , pointer :: &
num_homog, &
num_homogGeneric
print'(/,a)', ' <<<+- homogenization init -+>>>'; flush(IO_STDOUT)
num_homog => config_numerics%get('homogenization',defaultVal=emptyDict)
num_homogGeneric => num_homog%get('generic',defaultVal=emptyDict)
num%nMPstate = num_homogGeneric%get_asInt ('nMPstate', defaultVal=10)
num%subStepMinHomog = num_homogGeneric%get_asFloat('subStepMin', defaultVal=1.0e-3_pReal)
num%subStepSizeHomog = num_homogGeneric%get_asFloat('subStepSize', defaultVal=0.25_pReal)
num%stepIncreaseHomog = num_homogGeneric%get_asFloat('stepIncrease', defaultVal=1.5_pReal)
if (num%nMPstate < 1) call IO_error(301,ext_msg='nMPstate')
if (num%subStepMinHomog <= 0.0_pReal) call IO_error(301,ext_msg='subStepMinHomog')
if (num%subStepSizeHomog <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeHomog')
if (num%stepIncreaseHomog <= 0.0_pReal) call IO_error(301,ext_msg='stepIncreaseHomog')
call mech_init(num_homog)
if (any(thermal_type == THERMAL_isothermal_ID)) call thermal_isothermal_init
if (any(thermal_type == THERMAL_conduction_ID)) call thermal_conduction_init
if (any(damage_type == DAMAGE_none_ID)) call damage_none_init
if (any(damage_type == DAMAGE_nonlocal_ID)) call damage_nonlocal_init
end subroutine homogenization_init
!--------------------------------------------------------------------------------------------------
!> @brief parallelized calculation of stress and corresponding tangent at material points
!--------------------------------------------------------------------------------------------------
subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execElem)
real(pReal), intent(in) :: dt !< time increment
integer, dimension(2), intent(in) :: FEsolving_execElem, FEsolving_execIP
integer :: &
NiterationMPstate, &
ip, & !< integration point number
el, & !< element number
myNgrains, co, ce, ho, me
real(pReal) :: &
subFrac, &
subStep
logical :: &
converged
logical, dimension(2) :: &
doneAndHappy
!$OMP PARALLEL DO PRIVATE(ce,ho,myNgrains,NiterationMPstate,subFrac,converged,subStep,doneAndHappy)
do el = FEsolving_execElem(1),FEsolving_execElem(2)
ho = material_homogenizationAt(el)
me = material_homogenizationMemberAt(ip,el)
myNgrains = homogenization_Nconstituents(ho)
do ip = FEsolving_execIP(1),FEsolving_execIP(2)
!--------------------------------------------------------------------------------------------------
! initialize restoration points
call constitutive_initializeRestorationPoints(ip,el)
subFrac = 0.0_pReal
converged = .false. ! pretend failed step ...
subStep = 1.0_pReal/num%subStepSizeHomog ! ... larger then the requested calculation
if (homogState(ho)%sizeState > 0) &
homogState(ho)%subState0(:,me) = homogState(ho)%State0(:,me)
if (damageState(ho)%sizeState > 0) &
damageState(ho)%subState0(:,me) = damageState(ho)%State0(:,me)
cutBackLooping: do while (.not. terminallyIll .and. subStep > num%subStepMinHomog)
if (converged) then
subFrac = subFrac + subStep
subStep = min(1.0_pReal-subFrac,num%stepIncreaseHomog*subStep) ! introduce flexibility for step increase/acceleration
steppingNeeded: if (subStep > num%subStepMinHomog) then
! wind forward grain starting point
call constitutive_windForward(ip,el)
if(homogState(ho)%sizeState > 0) &
homogState(ho)%subState0(:,me) = homogState(ho)%State(:,me)
if(damageState(ho)%sizeState > 0) &
damageState(ho)%subState0(:,me) = damageState(ho)%State(:,me)
endif steppingNeeded
elseif ( (myNgrains == 1 .and. subStep <= 1.0 ) .or. & ! single grain already tried internal subStepping in crystallite
num%subStepSizeHomog * subStep <= num%subStepMinHomog ) then ! would require too small subStep
! cutback makes no sense
if (.not. terminallyIll) & ! so first signals terminally ill...
print*, ' Integration point ', ip,' at element ', el, ' terminally ill'
terminallyIll = .true. ! ...and kills all others
else ! cutback makes sense
subStep = num%subStepSizeHomog * subStep ! crystallite had severe trouble, so do a significant cutback
call constitutive_restore(ip,el,subStep < 1.0_pReal)
if(homogState(ho)%sizeState > 0) &
homogState(ho)%State(:,me) = homogState(ho)%subState0(:,me)
if(damageState(ho)%sizeState > 0) &
damageState(ho)%State(:,me) = damageState(ho)%subState0(:,me)
endif
if (subStep > num%subStepMinHomog) doneAndHappy = [.false.,.true.]
NiterationMPstate = 0
convergenceLooping: do while (.not. terminallyIll &
.and. .not. doneAndHappy(1) &
.and. NiterationMPstate < num%nMPstate)
NiterationMPstate = NiterationMPstate + 1
!--------------------------------------------------------------------------------------------------
! deformation partitioning
if (.not. doneAndHappy(1)) then
ce = (el-1)*discretization_nIPs + ip
call mech_partition(homogenization_F0(1:3,1:3,ce) &
+ (homogenization_F(1:3,1:3,ce)-homogenization_F0(1:3,1:3,ce))&
*(subStep+subFrac), &
ip,el)
converged = .true.
do co = 1, myNgrains
converged = converged .and. crystallite_stress(dt*subStep,co,ip,el)
enddo
if (.not. converged) then
doneAndHappy = [.true.,.false.]
else
ce = (el-1)*discretization_nIPs + ip
doneAndHappy = updateState(dt*subStep, &
homogenization_F0(1:3,1:3,ce) &
+ (homogenization_F(1:3,1:3,ce)-homogenization_F0(1:3,1:3,ce)) &
*(subStep+subFrac), &
ip,el)
converged = all(doneAndHappy)
endif
endif
enddo convergenceLooping
enddo cutBackLooping
enddo
enddo
!$OMP END PARALLEL DO
if (.not. terminallyIll ) then
!$OMP PARALLEL DO PRIVATE(ho,myNgrains)
elementLooping3: do el = FEsolving_execElem(1),FEsolving_execElem(2)
ho = material_homogenizationAt(el)
myNgrains = homogenization_Nconstituents(ho)
IpLooping3: do ip = FEsolving_execIP(1),FEsolving_execIP(2)
do co = 1, myNgrains
call crystallite_orientations(co,ip,el)
enddo
call mech_homogenize(ip,el)
enddo IpLooping3
enddo elementLooping3
!$OMP END PARALLEL DO
else
print'(/,a,/)', ' << HOMOG >> Material Point terminally ill'
endif
end subroutine materialpoint_stressAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief update the internal state of the homogenization scheme and tell whether "done" and
!> "happy" with result
!--------------------------------------------------------------------------------------------------
function updateState(subdt,subF,ip,el)
real(pReal), intent(in) :: &
subdt !< current time step
real(pReal), intent(in), dimension(3,3) :: &
subF
integer, intent(in) :: &
ip, & !< integration point
el !< element number
logical, dimension(2) :: updateState
integer :: co
real(pReal) :: dPdFs(3,3,3,3,homogenization_Nconstituents(material_homogenizationAt(el)))
if (homogenization_type(material_homogenizationAt(el)) == HOMOGENIZATION_RGC_ID) then
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
dPdFs(:,:,:,:,co) = crystallite_stressTangent(co,ip,el)
enddo
updateState = &
mech_RGC_updateState(crystallite_P(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), &
crystallite_partitionedF(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), &
crystallite_partitionedF0(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el),&
subF,&
subdt, &
dPdFs, &
ip, &
el)
else
updateState = .true.
endif
end function updateState
!--------------------------------------------------------------------------------------------------
!> @brief writes homogenization results to HDF5 output file
!--------------------------------------------------------------------------------------------------
subroutine homogenization_results
integer :: ho
character(len=:), allocatable :: group_base,group
call results_closeGroup(results_addGroup('current/homogenization/'))
do ho=1,size(material_name_homogenization)
group_base = 'current/homogenization/'//trim(material_name_homogenization(ho))
call results_closeGroup(results_addGroup(group_base))
call mech_results(group_base,ho)
group = trim(group_base)//'/damage'
call results_closeGroup(results_addGroup(group))
select case(damage_type(ho))
case(DAMAGE_NONLOCAL_ID)
call damage_nonlocal_results(ho,group)
end select
group = trim(group_base)//'/thermal'
call results_closeGroup(results_addGroup(group))
select case(thermal_type(ho))
case(THERMAL_CONDUCTION_ID)
call thermal_conduction_results(ho,group)
end select
enddo
end subroutine homogenization_results
!--------------------------------------------------------------------------------------------------
!> @brief Forward data after successful increment.
! ToDo: Any guessing for the current states possible?
!--------------------------------------------------------------------------------------------------
subroutine homogenization_forward
integer :: ho
do ho = 1, size(material_name_homogenization)
homogState (ho)%state0 = homogState (ho)%state
damageState(ho)%state0 = damageState(ho)%state
enddo
end subroutine homogenization_forward
end module homogenization