483 lines
17 KiB
Fortran
483 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 phase
|
|
use discretization
|
|
use HDF5_utilities
|
|
use results
|
|
use lattice
|
|
|
|
implicit none
|
|
private
|
|
|
|
|
|
enum, bind(c); enumerator :: &
|
|
THERMAL_ISOTHERMAL_ID, &
|
|
THERMAL_CONDUCTION_ID, &
|
|
DAMAGE_NONE_ID, &
|
|
DAMAGE_NONLOCAL_ID, &
|
|
HOMOGENIZATION_UNDEFINED_ID, &
|
|
HOMOGENIZATION_NONE_ID, &
|
|
HOMOGENIZATION_ISOSTRAIN_ID, &
|
|
HOMOGENIZATION_RGC_ID
|
|
end enum
|
|
|
|
type(tState), allocatable, dimension(:), public :: &
|
|
homogState, &
|
|
damageState_h
|
|
|
|
integer(kind(THERMAL_isothermal_ID)), dimension(:), allocatable :: &
|
|
thermal_type !< thermal transport model
|
|
integer(kind(DAMAGE_none_ID)), dimension(:), allocatable :: &
|
|
damage_type !< nonlocal damage model
|
|
|
|
type, private :: tNumerics_damage
|
|
real(pReal) :: &
|
|
charLength !< characteristic length scale for gradient problems
|
|
end type tNumerics_damage
|
|
|
|
type(tNumerics_damage), private :: &
|
|
num_damage
|
|
|
|
|
|
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
|
|
end type tNumerics
|
|
|
|
type(tNumerics) :: num
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
interface
|
|
|
|
module subroutine mechanical_init(num_homog)
|
|
class(tNode), pointer, intent(in) :: &
|
|
num_homog !< pointer to mechanical homogenization numerics data
|
|
end subroutine mechanical_init
|
|
|
|
module subroutine thermal_init
|
|
end subroutine thermal_init
|
|
|
|
module subroutine damage_init
|
|
end subroutine damage_init
|
|
|
|
module subroutine mechanical_partition(subF,ce)
|
|
real(pReal), intent(in), dimension(3,3) :: &
|
|
subF
|
|
integer, intent(in) :: &
|
|
ce
|
|
end subroutine mechanical_partition
|
|
|
|
module subroutine thermal_partition(ce)
|
|
integer, intent(in) :: ce
|
|
end subroutine thermal_partition
|
|
|
|
module subroutine damage_partition(ce)
|
|
integer, intent(in) :: ce
|
|
end subroutine damage_partition
|
|
|
|
module subroutine mechanical_homogenize(dt,ce)
|
|
real(pReal), intent(in) :: dt
|
|
integer, intent(in) :: &
|
|
ce !< cell
|
|
end subroutine mechanical_homogenize
|
|
|
|
module subroutine mechanical_results(group_base,ho)
|
|
character(len=*), intent(in) :: group_base
|
|
integer, intent(in) :: ho
|
|
end subroutine mechanical_results
|
|
|
|
module subroutine damage_results(ho,group)
|
|
integer, intent(in) :: ho
|
|
character(len=*), intent(in) :: group
|
|
end subroutine damage_results
|
|
|
|
module subroutine thermal_results(ho,group)
|
|
integer, intent(in) :: ho
|
|
character(len=*), intent(in) :: group
|
|
end subroutine thermal_results
|
|
|
|
module function mechanical_updateState(subdt,subF,ce) result(doneAndHappy)
|
|
real(pReal), intent(in) :: &
|
|
subdt !< current time step
|
|
real(pReal), intent(in), dimension(3,3) :: &
|
|
subF
|
|
integer, intent(in) :: &
|
|
ce !< cell
|
|
logical, dimension(2) :: doneAndHappy
|
|
end function mechanical_updateState
|
|
|
|
module function homogenization_mu_T(ce) result(mu)
|
|
integer, intent(in) :: ce
|
|
real(pReal) :: mu
|
|
end function homogenization_mu_T
|
|
|
|
module function homogenization_K_T(ce) result(K)
|
|
integer, intent(in) :: ce
|
|
real(pReal), dimension(3,3) :: K
|
|
end function homogenization_K_T
|
|
|
|
module function homogenization_f_T(ce) result(f)
|
|
integer, intent(in) :: ce
|
|
real(pReal) :: f
|
|
end function homogenization_f_T
|
|
|
|
module subroutine homogenization_thermal_setField(T,dot_T, ce)
|
|
integer, intent(in) :: ce
|
|
real(pReal), intent(in) :: T, dot_T
|
|
end subroutine homogenization_thermal_setField
|
|
|
|
module function homogenization_mu_phi(ce) result(mu)
|
|
integer, intent(in) :: ce
|
|
real(pReal) :: mu
|
|
end function homogenization_mu_phi
|
|
|
|
module function homogenization_K_phi(ce) result(K)
|
|
integer, intent(in) :: ce
|
|
real(pReal), dimension(3,3) :: K
|
|
end function homogenization_K_phi
|
|
|
|
module function homogenization_f_phi(phi,ce) result(f)
|
|
integer, intent(in) :: ce
|
|
real(pReal), intent(in) :: phi
|
|
real(pReal) :: f
|
|
end function homogenization_f_phi
|
|
|
|
module subroutine homogenization_set_phi(phi,ce)
|
|
integer, intent(in) :: ce
|
|
real(pReal), intent(in) :: &
|
|
phi
|
|
end subroutine homogenization_set_phi
|
|
|
|
end interface
|
|
|
|
public :: &
|
|
homogenization_init, &
|
|
materialpoint_stressAndItsTangent, &
|
|
homogenization_mu_T, &
|
|
homogenization_K_T, &
|
|
homogenization_f_T, &
|
|
homogenization_thermal_setfield, &
|
|
homogenization_mu_phi, &
|
|
homogenization_K_phi, &
|
|
homogenization_f_phi, &
|
|
homogenization_set_phi, &
|
|
homogenization_forward, &
|
|
homogenization_results, &
|
|
homogenization_restartRead, &
|
|
homogenization_restartWrite, &
|
|
THERMAL_CONDUCTION_ID, &
|
|
DAMAGE_NONLOCAL_ID
|
|
|
|
contains
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief module initialization
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine homogenization_init()
|
|
|
|
class (tNode) , pointer :: &
|
|
num_homog, &
|
|
num_homogGeneric
|
|
|
|
print'(/,a)', ' <<<+- homogenization init -+>>>'; flush(IO_STDOUT)
|
|
|
|
|
|
allocate(homogState (size(material_name_homogenization)))
|
|
allocate(damageState_h (size(material_name_homogenization)))
|
|
call material_parseHomogenization()
|
|
|
|
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)
|
|
if (num%nMPstate < 1) call IO_error(301,ext_msg='nMPstate')
|
|
|
|
call mechanical_init(num_homog)
|
|
call thermal_init()
|
|
call damage_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
|
|
co, ce, ho, en, ph
|
|
logical :: &
|
|
converged
|
|
logical, dimension(2) :: &
|
|
doneAndHappy
|
|
|
|
!$OMP PARALLEL
|
|
!$OMP DO PRIVATE(ce,en,ho,NiterationMPstate,converged,doneAndHappy)
|
|
do el = FEsolving_execElem(1),FEsolving_execElem(2)
|
|
|
|
do ip = FEsolving_execIP(1),FEsolving_execIP(2)
|
|
ce = (el-1)*discretization_nIPs + ip
|
|
en = material_homogenizationEntry(ce)
|
|
ho = material_homogenizationID(ce)
|
|
|
|
call phase_restore(ce,.false.) ! wrong name (is more a forward function)
|
|
|
|
if(homogState(ho)%sizeState > 0) homogState(ho)%state(:,en) = homogState(ho)%state0(:,en)
|
|
if(damageState_h(ho)%sizeState > 0) damageState_h(ho)%state(:,en) = damageState_h(ho)%state0(:,en)
|
|
call damage_partition(ce)
|
|
|
|
doneAndHappy = [.false.,.true.]
|
|
|
|
NiterationMPstate = 0
|
|
convergenceLooping: do while (.not. (terminallyIll .or. doneAndHappy(1)) &
|
|
.and. NiterationMPstate < num%nMPstate)
|
|
NiterationMPstate = NiterationMPstate + 1
|
|
|
|
call mechanical_partition(homogenization_F(1:3,1:3,ce),ce)
|
|
converged = .true.
|
|
do co = 1, homogenization_Nconstituents(ho)
|
|
converged = converged .and. crystallite_stress(dt,co,ip,el)
|
|
enddo
|
|
|
|
if (converged) then
|
|
doneAndHappy = mechanical_updateState(dt,homogenization_F(1:3,1:3,ce),ce)
|
|
converged = all(doneAndHappy)
|
|
else
|
|
doneAndHappy = [.true.,.false.]
|
|
endif
|
|
|
|
enddo convergenceLooping
|
|
if (.not. converged) then
|
|
if (.not. terminallyIll) print*, ' Integration point ', ip,' at element ', el, ' terminally ill'
|
|
terminallyIll = .true.
|
|
endif
|
|
enddo
|
|
enddo
|
|
!$OMP END DO
|
|
|
|
if (.not. terminallyIll) then
|
|
!$OMP DO PRIVATE(ho,ph,ce)
|
|
do el = FEsolving_execElem(1),FEsolving_execElem(2)
|
|
if (terminallyIll) continue
|
|
do ip = FEsolving_execIP(1),FEsolving_execIP(2)
|
|
ce = (el-1)*discretization_nIPs + ip
|
|
ho = material_homogenizationID(ce)
|
|
call thermal_partition(ce)
|
|
do co = 1, homogenization_Nconstituents(ho)
|
|
ph = material_phaseID(co,ce)
|
|
if (.not. thermal_stress(dt,ph,material_phaseMemberAt(co,ip,el))) then
|
|
if (.not. terminallyIll) & ! so first signals terminally ill...
|
|
print*, ' Integration point ', ip,' at element ', el, ' terminally ill'
|
|
terminallyIll = .true. ! ...and kills all others
|
|
endif
|
|
enddo
|
|
enddo
|
|
enddo
|
|
!$OMP END DO
|
|
|
|
!$OMP DO PRIVATE(ho,ce)
|
|
elementLooping3: do el = FEsolving_execElem(1),FEsolving_execElem(2)
|
|
IpLooping3: do ip = FEsolving_execIP(1),FEsolving_execIP(2)
|
|
ce = (el-1)*discretization_nIPs + ip
|
|
ho = material_homogenizationID(ce)
|
|
do co = 1, homogenization_Nconstituents(ho)
|
|
call crystallite_orientations(co,ip,el)
|
|
enddo
|
|
call mechanical_homogenize(dt,ce)
|
|
enddo IpLooping3
|
|
enddo elementLooping3
|
|
!$OMP END DO
|
|
else
|
|
print'(/,a,/)', ' << HOMOG >> Material Point terminally ill'
|
|
endif
|
|
!$OMP END PARALLEL
|
|
|
|
end subroutine materialpoint_stressAndItsTangent
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @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 mechanical_results(group_base,ho)
|
|
|
|
select case(damage_type(ho))
|
|
case(DAMAGE_NONLOCAL_ID)
|
|
group = trim(group_base)//'/damage'
|
|
call results_closeGroup(results_addGroup(group))
|
|
call damage_results(ho,group)
|
|
end select
|
|
|
|
select case(thermal_type(ho))
|
|
case(THERMAL_CONDUCTION_ID)
|
|
group = trim(group_base)//'/thermal'
|
|
call results_closeGroup(results_addGroup(group))
|
|
call thermal_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
|
|
if(damageState_h(ho)%sizeState > 0) &
|
|
damageState_h(ho)%state0 = damageState_h(ho)%state
|
|
enddo
|
|
|
|
end subroutine homogenization_forward
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine homogenization_restartWrite(fileHandle)
|
|
|
|
integer(HID_T), intent(in) :: fileHandle
|
|
|
|
integer(HID_T), dimension(2) :: groupHandle
|
|
integer :: ho
|
|
|
|
|
|
groupHandle(1) = HDF5_addGroup(fileHandle,'homogenization')
|
|
|
|
do ho = 1, size(material_name_homogenization)
|
|
|
|
groupHandle(2) = HDF5_addGroup(groupHandle(1),material_name_homogenization(ho))
|
|
|
|
call HDF5_write(homogState(ho)%state,groupHandle(2),'omega') ! ToDo: should be done by mech
|
|
|
|
call HDF5_closeGroup(groupHandle(2))
|
|
|
|
enddo
|
|
|
|
call HDF5_closeGroup(groupHandle(1))
|
|
|
|
end subroutine homogenization_restartWrite
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine homogenization_restartRead(fileHandle)
|
|
|
|
integer(HID_T), intent(in) :: fileHandle
|
|
|
|
integer(HID_T), dimension(2) :: groupHandle
|
|
integer :: ho
|
|
|
|
|
|
groupHandle(1) = HDF5_openGroup(fileHandle,'homogenization')
|
|
|
|
do ho = 1, size(material_name_homogenization)
|
|
|
|
groupHandle(2) = HDF5_openGroup(groupHandle(1),material_name_homogenization(ho))
|
|
|
|
call HDF5_read(homogState(ho)%state0,groupHandle(2),'omega') ! ToDo: should be done by mech
|
|
|
|
call HDF5_closeGroup(groupHandle(2))
|
|
|
|
enddo
|
|
|
|
call HDF5_closeGroup(groupHandle(1))
|
|
|
|
end subroutine homogenization_restartRead
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief parses the homogenization part from the material configuration
|
|
!--------------------------------------------------------------------------------------------------
|
|
subroutine material_parseHomogenization
|
|
|
|
class(tNode), pointer :: &
|
|
material_homogenization, &
|
|
homog, &
|
|
homogThermal, &
|
|
homogDamage
|
|
|
|
integer :: h
|
|
|
|
material_homogenization => config_material%get('homogenization')
|
|
|
|
allocate(thermal_type(size(material_name_homogenization)), source=THERMAL_isothermal_ID)
|
|
allocate(damage_type (size(material_name_homogenization)), source=DAMAGE_none_ID)
|
|
|
|
do h=1, size(material_name_homogenization)
|
|
homog => material_homogenization%get(h)
|
|
|
|
if (homog%contains('thermal')) then
|
|
homogThermal => homog%get('thermal')
|
|
select case (homogThermal%get_asString('type'))
|
|
case('pass')
|
|
thermal_type(h) = THERMAL_conduction_ID
|
|
case default
|
|
call IO_error(500,ext_msg=homogThermal%get_asString('type'))
|
|
end select
|
|
endif
|
|
|
|
if (homog%contains('damage')) then
|
|
homogDamage => homog%get('damage')
|
|
select case (homogDamage%get_asString('type'))
|
|
case('pass')
|
|
damage_type(h) = DAMAGE_nonlocal_ID
|
|
case default
|
|
call IO_error(500,ext_msg=homogDamage%get_asString('type'))
|
|
end select
|
|
endif
|
|
enddo
|
|
|
|
end subroutine material_parseHomogenization
|
|
|
|
|
|
end module homogenization
|