DAMASK_EICMD/src/constitutive.f90

1227 lines
54 KiB
Fortran

!--------------------------------------------------------------------------------------------------
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief elasticity, plasticity, damage & thermal internal microstructure state
!--------------------------------------------------------------------------------------------------
module constitutive
use prec
use math
use rotations
use IO
use config
use material
use results
use lattice
use discretization
use parallelization
use HDF5_utilities
use results
implicit none
private
enum, bind(c); enumerator :: &
PLASTICITY_UNDEFINED_ID, &
PLASTICITY_NONE_ID, &
PLASTICITY_ISOTROPIC_ID, &
PLASTICITY_PHENOPOWERLAW_ID, &
PLASTICITY_KINEHARDENING_ID, &
PLASTICITY_DISLOTWIN_ID, &
PLASTICITY_DISLOTUNGSTEN_ID, &
PLASTICITY_NONLOCAL_ID, &
SOURCE_UNDEFINED_ID ,&
SOURCE_THERMAL_DISSIPATION_ID, &
SOURCE_THERMAL_EXTERNALHEAT_ID, &
SOURCE_DAMAGE_ISOBRITTLE_ID, &
SOURCE_DAMAGE_ISODUCTILE_ID, &
SOURCE_DAMAGE_ANISOBRITTLE_ID, &
SOURCE_DAMAGE_ANISODUCTILE_ID, &
KINEMATICS_UNDEFINED_ID ,&
KINEMATICS_CLEAVAGE_OPENING_ID, &
KINEMATICS_SLIPPLANE_OPENING_ID, &
KINEMATICS_THERMAL_EXPANSION_ID
end enum
type(rotation), dimension(:,:,:), allocatable :: &
crystallite_orientation !< current orientation
type :: tTensorContainer
real(pReal), dimension(:,:,:), allocatable :: data
end type
type :: tNumerics
integer :: &
iJacoLpresiduum, & !< frequency of Jacobian update of residuum in Lp
nState, & !< state loop limit
nStress !< stress loop limit
real(pReal) :: &
subStepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback
subStepSizeCryst, & !< size of first substep when cutback
subStepSizeLp, & !< size of first substep when cutback in Lp calculation
subStepSizeLi, & !< size of first substep when cutback in Li calculation
stepIncreaseCryst, & !< increase of next substep size when previous substep converged
rtol_crystalliteState, & !< relative tolerance in state loop
rtol_crystalliteStress, & !< relative tolerance in stress loop
atol_crystalliteStress !< absolute tolerance in stress loop
end type tNumerics
type(tNumerics) :: num ! numerics parameters. Better name?
type :: tDebugOptions
logical :: &
basic, &
extensive, &
selective
integer :: &
element, &
ip, &
grain
end type tDebugOptions
type(tDebugOptions) :: debugCrystallite
integer(kind(PLASTICITY_undefined_ID)), dimension(:), allocatable, public :: &
phase_plasticity !< plasticity of each phase
integer(kind(SOURCE_undefined_ID)), dimension(:,:), allocatable :: &
phase_source, & !< active sources mechanisms of each phase
phase_kinematics !< active kinematic mechanisms of each phase
integer, dimension(:), allocatable, public :: & !< ToDo: should be protected (bug in Intel compiler)
phase_Nsources, & !< number of source mechanisms active in each phase
phase_Nkinematics, & !< number of kinematic mechanisms active in each phase
phase_NstiffnessDegradations, & !< number of stiffness degradation mechanisms active in each phase
phase_plasticityInstance, & !< instance of particular plasticity of each phase
phase_elasticityInstance !< instance of particular elasticity of each phase
logical, dimension(:), allocatable, public :: & ! ToDo: should be protected (bug in Intel Compiler)
phase_localPlasticity !< flags phases with local constitutive law
type(tPlasticState), allocatable, dimension(:), public :: &
plasticState
type(tSourceState), allocatable, dimension(:), public :: &
sourceState
integer, public, protected :: &
constitutive_plasticity_maxSizeDotState, &
constitutive_source_maxSizeDotState
interface
! == cleaned:begin =================================================================================
module subroutine mech_init
end subroutine mech_init
module subroutine damage_init
end subroutine damage_init
module subroutine thermal_init
end subroutine thermal_init
module subroutine mech_results(group,ph)
character(len=*), intent(in) :: group
integer, intent(in) :: ph
end subroutine mech_results
module subroutine damage_results(group,ph)
character(len=*), intent(in) :: group
integer, intent(in) :: ph
end subroutine damage_results
module subroutine mech_initializeRestorationPoints(ph,me)
integer, intent(in) :: ph, me
end subroutine mech_initializeRestorationPoints
module subroutine constitutive_mech_windForward(ph,me)
integer, intent(in) :: ph, me
end subroutine constitutive_mech_windForward
module subroutine constitutive_mech_forward
end subroutine constitutive_mech_forward
module subroutine mech_restore(ip,el,includeL)
integer, intent(in) :: &
ip, &
el
logical, intent(in) :: &
includeL
end subroutine mech_restore
module function constitutive_mech_dPdF(dt,co,ip,el) result(dPdF)
real(pReal), intent(in) :: dt
integer, intent(in) :: &
co, & !< counter in constituent loop
ip, & !< counter in integration point loop
el !< counter in element loop
real(pReal), dimension(3,3,3,3) :: dPdF
end function constitutive_mech_dPdF
module subroutine mech_restartWrite(groupHandle,ph)
integer(HID_T), intent(in) :: groupHandle
integer, intent(in) :: ph
end subroutine mech_restartWrite
module subroutine mech_restartRead(groupHandle,ph)
integer(HID_T), intent(in) :: groupHandle
integer, intent(in) :: ph
end subroutine mech_restartRead
module function constitutive_mech_getS(co,ip,el) result(S)
integer, intent(in) :: co, ip, el
real(pReal), dimension(3,3) :: S
end function constitutive_mech_getS
module function constitutive_mech_getLp(co,ip,el) result(Lp)
integer, intent(in) :: co, ip, el
real(pReal), dimension(3,3) :: Lp
end function constitutive_mech_getLp
module function constitutive_mech_getF(co,ip,el) result(F)
integer, intent(in) :: co, ip, el
real(pReal), dimension(3,3) :: F
end function constitutive_mech_getF
module function constitutive_mech_getF_e(co,ip,el) result(F_e)
integer, intent(in) :: co, ip, el
real(pReal), dimension(3,3) :: F_e
end function constitutive_mech_getF_e
module function constitutive_mech_getP(co,ip,el) result(P)
integer, intent(in) :: co, ip, el
real(pReal), dimension(3,3) :: P
end function constitutive_mech_getP
module function constitutive_thermal_T(co,ip,el) result(T)
integer, intent(in) :: co, ip, el
real(pReal) :: T
end function constitutive_thermal_T
module subroutine constitutive_mech_setF(F,co,ip,el)
real(pReal), dimension(3,3), intent(in) :: F
integer, intent(in) :: co, ip, el
end subroutine constitutive_mech_setF
! == cleaned:end ===================================================================================
module function crystallite_stress(dt,co,ip,el) result(converged_)
real(pReal), intent(in) :: dt
integer, intent(in) :: co, ip, el
logical :: converged_
end function crystallite_stress
module function constitutive_homogenizedC(co,ip,el) result(C)
integer, intent(in) :: co, ip, el
real(pReal), dimension(6,6) :: C
end function constitutive_homogenizedC
module subroutine source_damage_anisoBrittle_dotState(S, co, ip, el)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in), dimension(3,3) :: &
S
end subroutine source_damage_anisoBrittle_dotState
module subroutine source_damage_anisoDuctile_dotState(co, ip, el)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
end subroutine source_damage_anisoDuctile_dotState
module subroutine source_damage_isoDuctile_dotState(co, ip, el)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
end subroutine source_damage_isoDuctile_dotState
module subroutine source_thermal_externalheat_dotState(phase, of)
integer, intent(in) :: &
phase, &
of
end subroutine source_thermal_externalheat_dotState
module subroutine constitutive_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi, phi, ip, el)
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
real(pReal), intent(in) :: &
phi !< damage parameter
real(pReal), intent(inout) :: &
phiDot, &
dPhiDot_dPhi
end subroutine constitutive_damage_getRateAndItsTangents
module subroutine constitutive_thermal_getRateAndItsTangents(TDot, dTDot_dT, T, ip, el)
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
real(pReal), intent(in) :: &
T
real(pReal), intent(inout) :: &
TDot, &
dTDot_dT
end subroutine constitutive_thermal_getRateAndItsTangents
module subroutine plastic_nonlocal_updateCompatibility(orientation,instance,i,e)
integer, intent(in) :: &
instance, &
i, &
e
type(rotation), dimension(1,discretization_nIPs,discretization_Nelems), intent(in) :: &
orientation !< crystal orientation
end subroutine plastic_nonlocal_updateCompatibility
module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,of)
real(pReal), dimension(3,3), intent(out) :: &
Li !< inleastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLi_dMi !< derivative of Li with respect to Mandel stress
real(pReal), dimension(3,3), intent(in) :: &
Mi !< Mandel stress
integer, intent(in) :: &
instance, &
of
end subroutine plastic_isotropic_LiAndItsTangent
module subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, co, ip, el)
integer, intent(in) :: &
co, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), intent(in), dimension(3,3) :: &
S
real(pReal), intent(out), dimension(3,3) :: &
Ld !< damage velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
end subroutine kinematics_cleavage_opening_LiAndItsTangent
module subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, co, ip, el)
integer, intent(in) :: &
co, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), intent(in), dimension(3,3) :: &
S
real(pReal), intent(out), dimension(3,3) :: &
Ld !< damage velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
end subroutine kinematics_slipplane_opening_LiAndItsTangent
module subroutine kinematics_thermal_expansion_LiAndItsTangent(Li, dLi_dTstar, co, ip, el)
integer, intent(in) :: &
co, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), intent(out), dimension(3,3) :: &
Li !< thermal velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLi_dTstar !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero)
end subroutine kinematics_thermal_expansion_LiAndItsTangent
module subroutine source_damage_isoBrittle_deltaState(C, Fe, co, ip, el)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in), dimension(3,3) :: &
Fe
real(pReal), intent(in), dimension(6,6) :: &
C
end subroutine source_damage_isoBrittle_deltaState
module subroutine constitutive_plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
S, Fi, co, ip, el)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in), dimension(3,3) :: &
S, & !< 2nd Piola-Kirchhoff stress
Fi !< intermediate deformation gradient
real(pReal), intent(out), dimension(3,3) :: &
Lp !< plastic velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLp_dS, &
dLp_dFi !< derivative of Lp with respect to Fi
end subroutine constitutive_plastic_LpAndItsTangents
module subroutine constitutive_plastic_dependentState(co,ip,el)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
end subroutine constitutive_plastic_dependentState
module subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, Fe, Fi, co, ip, el)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in), dimension(3,3) :: &
Fe, & !< elastic deformation gradient
Fi !< intermediate deformation gradient
real(pReal), intent(out), dimension(3,3) :: &
S !< 2nd Piola-Kirchhoff stress tensor
real(pReal), intent(out), dimension(3,3,3,3) :: &
dS_dFe, & !< derivative of 2nd P-K stress with respect to elastic deformation gradient
dS_dFi !< derivative of 2nd P-K stress with respect to intermediate deformation gradient
end subroutine constitutive_hooke_SandItsTangents
end interface
type(tDebugOptions) :: debugConstitutive
public :: &
constitutive_init, &
constitutive_homogenizedC, &
constitutive_LiAndItsTangents, &
constitutive_damage_getRateAndItsTangents, &
constitutive_thermal_getRateAndItsTangents, &
constitutive_results, &
constitutive_allocateState, &
constitutive_forward, &
constitutive_restore, &
plastic_nonlocal_updateCompatibility, &
source_active, &
kinematics_active, &
converged, &
crystallite_init, &
crystallite_stress, &
constitutive_mech_dPdF, &
crystallite_orientations, &
crystallite_push33ToRef, &
constitutive_restartWrite, &
constitutive_restartRead, &
integrateSourceState, &
constitutive_mech_setF, &
constitutive_mech_getP, &
constitutive_mech_getLp, &
constitutive_mech_getF, &
constitutive_mech_getS, &
constitutive_initializeRestorationPoints, &
constitutive_windForward, &
PLASTICITY_UNDEFINED_ID, &
PLASTICITY_NONE_ID, &
PLASTICITY_ISOTROPIC_ID, &
PLASTICITY_PHENOPOWERLAW_ID, &
PLASTICITY_KINEHARDENING_ID, &
PLASTICITY_DISLOTWIN_ID, &
PLASTICITY_DISLOTUNGSTEN_ID, &
PLASTICITY_NONLOCAL_ID, &
SOURCE_UNDEFINED_ID ,&
SOURCE_THERMAL_DISSIPATION_ID, &
SOURCE_THERMAL_EXTERNALHEAT_ID, &
SOURCE_DAMAGE_ISOBRITTLE_ID, &
SOURCE_DAMAGE_ISODUCTILE_ID, &
SOURCE_DAMAGE_ANISOBRITTLE_ID, &
SOURCE_DAMAGE_ANISODUCTILE_ID, &
KINEMATICS_UNDEFINED_ID ,&
KINEMATICS_CLEAVAGE_OPENING_ID, &
KINEMATICS_SLIPPLANE_OPENING_ID, &
KINEMATICS_THERMAL_EXPANSION_ID
contains
!--------------------------------------------------------------------------------------------------
!> @brief Initialze constitutive models for individual physics
!--------------------------------------------------------------------------------------------------
subroutine constitutive_init
integer :: &
ph, & !< counter in phase loop
so !< counter in source loop
class (tNode), pointer :: &
debug_constitutive, &
phases
debug_constitutive => config_debug%get('constitutive', defaultVal=emptyList)
debugConstitutive%basic = debug_constitutive%contains('basic')
debugConstitutive%extensive = debug_constitutive%contains('extensive')
debugConstitutive%selective = debug_constitutive%contains('selective')
debugConstitutive%element = config_debug%get_asInt('element',defaultVal = 1)
debugConstitutive%ip = config_debug%get_asInt('integrationpoint',defaultVal = 1)
debugConstitutive%grain = config_debug%get_asInt('grain',defaultVal = 1)
!--------------------------------------------------------------------------------------------------
! initialize constitutive laws
print'(/,a)', ' <<<+- constitutive init -+>>>'; flush(IO_STDOUT)
call mech_init
call damage_init
call thermal_init
phases => config_material%get('phase')
constitutive_source_maxSizeDotState = 0
PhaseLoop2:do ph = 1,phases%length
!--------------------------------------------------------------------------------------------------
! partition and initialize state
plasticState(ph)%partitionedState0 = plasticState(ph)%state0
plasticState(ph)%state = plasticState(ph)%partitionedState0
forall(so = 1:phase_Nsources(ph))
sourceState(ph)%p(so)%partitionedState0 = sourceState(ph)%p(so)%state0
sourceState(ph)%p(so)%state = sourceState(ph)%p(so)%partitionedState0
end forall
constitutive_source_maxSizeDotState = max(constitutive_source_maxSizeDotState, &
maxval(sourceState(ph)%p%sizeDotState))
enddo PhaseLoop2
constitutive_plasticity_maxSizeDotState = maxval(plasticState%sizeDotState)
end subroutine constitutive_init
!--------------------------------------------------------------------------------------------------
!> @brief checks if a source mechanism is active or not
!--------------------------------------------------------------------------------------------------
function source_active(source_label,src_length) result(active_source)
character(len=*), intent(in) :: source_label !< name of source mechanism
integer, intent(in) :: src_length !< max. number of sources in system
logical, dimension(:,:), allocatable :: active_source
class(tNode), pointer :: &
phases, &
phase, &
sources, &
src
integer :: p,s
phases => config_material%get('phase')
allocate(active_source(src_length,phases%length), source = .false. )
do p = 1, phases%length
phase => phases%get(p)
sources => phase%get('source',defaultVal=emptyList)
do s = 1, sources%length
src => sources%get(s)
if(src%get_asString('type') == source_label) active_source(s,p) = .true.
enddo
enddo
end function source_active
!--------------------------------------------------------------------------------------------------
!> @brief checks if a kinematic mechanism is active or not
!--------------------------------------------------------------------------------------------------
function kinematics_active(kinematics_label,kinematics_length) result(active_kinematics)
character(len=*), intent(in) :: kinematics_label !< name of kinematic mechanism
integer, intent(in) :: kinematics_length !< max. number of kinematics in system
logical, dimension(:,:), allocatable :: active_kinematics
class(tNode), pointer :: &
phases, &
phase, &
kinematics, &
kinematics_type
integer :: p,k
phases => config_material%get('phase')
allocate(active_kinematics(kinematics_length,phases%length), source = .false. )
do p = 1, phases%length
phase => phases%get(p)
kinematics => phase%get('kinematics',defaultVal=emptyList)
do k = 1, kinematics%length
kinematics_type => kinematics%get(k)
if(kinematics_type%get_asString('type') == kinematics_label) active_kinematics(k,p) = .true.
enddo
enddo
end function kinematics_active
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
! ToDo: MD: S is Mi?
!--------------------------------------------------------------------------------------------------
subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
S, Fi, co, ip, el)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in), dimension(3,3) :: &
S !< 2nd Piola-Kirchhoff stress
real(pReal), intent(in), dimension(3,3) :: &
Fi !< intermediate deformation gradient
real(pReal), intent(out), dimension(3,3) :: &
Li !< intermediate velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLi_dS, & !< derivative of Li with respect to S
dLi_dFi
real(pReal), dimension(3,3) :: &
my_Li, & !< intermediate velocity gradient
FiInv, &
temp_33
real(pReal), dimension(3,3,3,3) :: &
my_dLi_dS
real(pReal) :: &
detFi
integer :: &
k, i, j, &
instance, of
Li = 0.0_pReal
dLi_dS = 0.0_pReal
dLi_dFi = 0.0_pReal
plasticityType: select case (phase_plasticity(material_phaseAt(co,el)))
case (PLASTICITY_isotropic_ID) plasticityType
of = material_phasememberAt(co,ip,el)
instance = phase_plasticityInstance(material_phaseAt(co,el))
call plastic_isotropic_LiAndItsTangent(my_Li, my_dLi_dS, S ,instance,of)
case default plasticityType
my_Li = 0.0_pReal
my_dLi_dS = 0.0_pReal
end select plasticityType
Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS
KinematicsLoop: do k = 1, phase_Nkinematics(material_phaseAt(co,el))
kinematicsType: select case (phase_kinematics(k,material_phaseAt(co,el)))
case (KINEMATICS_cleavage_opening_ID) kinematicsType
call kinematics_cleavage_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, co, ip, el)
case (KINEMATICS_slipplane_opening_ID) kinematicsType
call kinematics_slipplane_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, co, ip, el)
case (KINEMATICS_thermal_expansion_ID) kinematicsType
call kinematics_thermal_expansion_LiAndItsTangent(my_Li, my_dLi_dS, co, ip, el)
case default kinematicsType
my_Li = 0.0_pReal
my_dLi_dS = 0.0_pReal
end select kinematicsType
Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS
enddo KinematicsLoop
FiInv = math_inv33(Fi)
detFi = math_det33(Fi)
Li = matmul(matmul(Fi,Li),FiInv)*detFi !< push forward to intermediate configuration
temp_33 = matmul(FiInv,Li)
do i = 1,3; do j = 1,3
dLi_dS(1:3,1:3,i,j) = matmul(matmul(Fi,dLi_dS(1:3,1:3,i,j)),FiInv)*detFi
dLi_dFi(1:3,1:3,i,j) = dLi_dFi(1:3,1:3,i,j) + Li*FiInv(j,i)
dLi_dFi(1:3,i,1:3,j) = dLi_dFi(1:3,i,1:3,j) + math_I3*temp_33(j,i) + Li*FiInv(j,i)
enddo; enddo
end subroutine constitutive_LiAndItsTangents
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the rate of change of microstructure
!--------------------------------------------------------------------------------------------------
function constitutive_damage_collectDotState(co,ip,el,ph,of) result(broken)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el, & !< element
ph, &
of
integer :: &
so !< counter in source loop
logical :: broken
broken = .false.
SourceLoop: do so = 1, phase_Nsources(ph)
sourceType: select case (phase_source(so,ph))
case (SOURCE_damage_anisoBrittle_ID) sourceType
call source_damage_anisoBrittle_dotState(constitutive_mech_getS(co,ip,el), co, ip, el) ! correct stress?
case (SOURCE_damage_isoDuctile_ID) sourceType
call source_damage_isoDuctile_dotState(co, ip, el)
case (SOURCE_damage_anisoDuctile_ID) sourceType
call source_damage_anisoDuctile_dotState(co, ip, el)
end select sourceType
broken = broken .or. any(IEEE_is_NaN(sourceState(ph)%p(so)%dotState(:,of)))
enddo SourceLoop
end function constitutive_damage_collectDotState
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the rate of change of microstructure
!--------------------------------------------------------------------------------------------------
function constitutive_thermal_collectDotState(ph,me) result(broken)
integer, intent(in) :: ph, me
logical :: broken
integer :: i
broken = .false.
SourceLoop: do i = 1, phase_Nsources(ph)
if (phase_source(i,ph) == SOURCE_thermal_externalheat_ID) &
call source_thermal_externalheat_dotState(ph,me)
broken = broken .or. any(IEEE_is_NaN(sourceState(ph)%p(i)%dotState(:,me)))
enddo SourceLoop
end function constitutive_thermal_collectDotState
!--------------------------------------------------------------------------------------------------
!> @brief for constitutive models having an instantaneous change of state
!> will return false if delta state is not needed/supported by the constitutive model
!--------------------------------------------------------------------------------------------------
function constitutive_damage_deltaState(Fe, co, ip, el, ph, of) result(broken)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el, & !< element
ph, &
of
real(pReal), intent(in), dimension(3,3) :: &
Fe !< elastic deformation gradient
integer :: &
so, &
myOffset, &
mySize
logical :: &
broken
broken = .false.
sourceLoop: do so = 1, phase_Nsources(ph)
sourceType: select case (phase_source(so,ph))
case (SOURCE_damage_isoBrittle_ID) sourceType
call source_damage_isoBrittle_deltaState (constitutive_homogenizedC(co,ip,el), Fe, &
co, ip, el)
broken = any(IEEE_is_NaN(sourceState(ph)%p(so)%deltaState(:,of)))
if(.not. broken) then
myOffset = sourceState(ph)%p(so)%offsetDeltaState
mySize = sourceState(ph)%p(so)%sizeDeltaState
sourceState(ph)%p(so)%state(myOffset + 1: myOffset + mySize,of) = &
sourceState(ph)%p(so)%state(myOffset + 1: myOffset + mySize,of) + sourceState(ph)%p(so)%deltaState(1:mySize,of)
endif
end select sourceType
enddo SourceLoop
end function constitutive_damage_deltaState
!--------------------------------------------------------------------------------------------------
!> @brief Allocate the components of the state structure for a given phase
!--------------------------------------------------------------------------------------------------
subroutine constitutive_allocateState(state, &
Nconstituents,sizeState,sizeDotState,sizeDeltaState)
class(tState), intent(out) :: &
state
integer, intent(in) :: &
Nconstituents, &
sizeState, &
sizeDotState, &
sizeDeltaState
state%sizeState = sizeState
state%sizeDotState = sizeDotState
state%sizeDeltaState = sizeDeltaState
state%offsetDeltaState = sizeState-sizeDeltaState ! deltaState occupies latter part of state by definition
allocate(state%atol (sizeState), source=0.0_pReal)
allocate(state%state0 (sizeState,Nconstituents), source=0.0_pReal)
allocate(state%partitionedState0(sizeState,Nconstituents), source=0.0_pReal)
allocate(state%state (sizeState,Nconstituents), source=0.0_pReal)
allocate(state%dotState (sizeDotState,Nconstituents), source=0.0_pReal)
allocate(state%deltaState (sizeDeltaState,Nconstituents), source=0.0_pReal)
end subroutine constitutive_allocateState
!--------------------------------------------------------------------------------------------------
!> @brief Restore data after homog cutback.
!--------------------------------------------------------------------------------------------------
subroutine constitutive_restore(ip,el,includeL)
logical, intent(in) :: includeL
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
integer :: &
co, & !< constituent number
so
do co = 1,homogenization_Nconstituents(material_homogenizationAt(el))
do so = 1, phase_Nsources(material_phaseAt(co,el))
sourceState(material_phaseAt(co,el))%p(so)%state( :,material_phasememberAt(co,ip,el)) = &
sourceState(material_phaseAt(co,el))%p(so)%partitionedState0(:,material_phasememberAt(co,ip,el))
enddo
enddo
call mech_restore(ip,el,includeL)
end subroutine constitutive_restore
!--------------------------------------------------------------------------------------------------
!> @brief Forward data after successful increment.
! ToDo: Any guessing for the current states possible?
!--------------------------------------------------------------------------------------------------
subroutine constitutive_forward
integer :: ph, so
call constitutive_mech_forward()
do ph = 1, size(sourceState)
do so = 1,phase_Nsources(ph)
sourceState(ph)%p(so)%state0 = sourceState(ph)%p(so)%state
enddo; enddo
end subroutine constitutive_forward
!--------------------------------------------------------------------------------------------------
!> @brief writes constitutive results to HDF5 output file
!--------------------------------------------------------------------------------------------------
subroutine constitutive_results
integer :: ph
character(len=:), allocatable :: group
call results_closeGroup(results_addGroup('/current/phase/'))
do ph = 1, size(material_name_phase)
group = '/current/phase/'//trim(material_name_phase(ph))//'/'
call results_closeGroup(results_addGroup(group))
call mech_results(group,ph)
call damage_results(group,ph)
enddo
end subroutine constitutive_results
!--------------------------------------------------------------------------------------------------
!> @brief allocates and initialize per grain variables
!--------------------------------------------------------------------------------------------------
subroutine crystallite_init
integer :: &
ph, &
me, &
co, & !< counter in integration point component loop
ip, & !< counter in integration point loop
el, & !< counter in element loop
so, &
cMax, & !< maximum number of integration point components
iMax, & !< maximum number of integration points
eMax !< maximum number of elements
class(tNode), pointer :: &
num_crystallite, &
debug_crystallite, & ! pointer to debug options for crystallite
phases, &
phase, &
mech
print'(/,a)', ' <<<+- crystallite init -+>>>'
debug_crystallite => config_debug%get('crystallite', defaultVal=emptyList)
debugCrystallite%extensive = debug_crystallite%contains('extensive')
cMax = homogenization_maxNconstituents
iMax = discretization_nIPs
eMax = discretization_Nelems
allocate(crystallite_orientation(cMax,iMax,eMax))
num_crystallite => config_numerics%get('crystallite',defaultVal=emptyDict)
num%subStepMinCryst = num_crystallite%get_asFloat ('subStepMin', defaultVal=1.0e-3_pReal)
num%subStepSizeCryst = num_crystallite%get_asFloat ('subStepSize', defaultVal=0.25_pReal)
num%stepIncreaseCryst = num_crystallite%get_asFloat ('stepIncrease', defaultVal=1.5_pReal)
num%subStepSizeLp = num_crystallite%get_asFloat ('subStepSizeLp', defaultVal=0.5_pReal)
num%subStepSizeLi = num_crystallite%get_asFloat ('subStepSizeLi', defaultVal=0.5_pReal)
num%rtol_crystalliteState = num_crystallite%get_asFloat ('rtol_State', defaultVal=1.0e-6_pReal)
num%rtol_crystalliteStress = num_crystallite%get_asFloat ('rtol_Stress', defaultVal=1.0e-6_pReal)
num%atol_crystalliteStress = num_crystallite%get_asFloat ('atol_Stress', defaultVal=1.0e-8_pReal)
num%iJacoLpresiduum = num_crystallite%get_asInt ('iJacoLpresiduum', defaultVal=1)
num%nState = num_crystallite%get_asInt ('nState', defaultVal=20)
num%nStress = num_crystallite%get_asInt ('nStress', defaultVal=40)
if(num%subStepMinCryst <= 0.0_pReal) call IO_error(301,ext_msg='subStepMinCryst')
if(num%subStepSizeCryst <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeCryst')
if(num%stepIncreaseCryst <= 0.0_pReal) call IO_error(301,ext_msg='stepIncreaseCryst')
if(num%subStepSizeLp <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeLp')
if(num%subStepSizeLi <= 0.0_pReal) call IO_error(301,ext_msg='subStepSizeLi')
if(num%rtol_crystalliteState <= 0.0_pReal) call IO_error(301,ext_msg='rtol_crystalliteState')
if(num%rtol_crystalliteStress <= 0.0_pReal) call IO_error(301,ext_msg='rtol_crystalliteStress')
if(num%atol_crystalliteStress <= 0.0_pReal) call IO_error(301,ext_msg='atol_crystalliteStress')
if(num%iJacoLpresiduum < 1) call IO_error(301,ext_msg='iJacoLpresiduum')
if(num%nState < 1) call IO_error(301,ext_msg='nState')
if(num%nStress< 1) call IO_error(301,ext_msg='nStress')
phases => config_material%get('phase')
do ph = 1, phases%length
do so = 1, phase_Nsources(ph)
allocate(sourceState(ph)%p(so)%subState0,source=sourceState(ph)%p(so)%state0) ! ToDo: hack
enddo
enddo
print'(a42,1x,i10)', ' # of elements: ', eMax
print'(a42,1x,i10)', ' # of integration points/element: ', iMax
print'(a42,1x,i10)', 'max # of constituents/integration point: ', cMax
flush(IO_STDOUT)
!$OMP PARALLEL DO PRIVATE(ph,me)
do el = 1, size(material_phaseMemberAt,3)
do ip = 1, size(material_phaseMemberAt,2)
do co = 1,homogenization_Nconstituents(material_homogenizationAt(el))
ph = material_phaseAt(co,el)
me = material_phaseMemberAt(co,ip,el)
call crystallite_orientations(co,ip,el)
call constitutive_plastic_dependentState(co,ip,el) ! update dependent state variables to be consistent with basic states
enddo
enddo
enddo
!$OMP END PARALLEL DO
end subroutine crystallite_init
!--------------------------------------------------------------------------------------------------
!> @brief Backup data for homog cutback.
!--------------------------------------------------------------------------------------------------
subroutine constitutive_initializeRestorationPoints(ip,el)
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
integer :: &
co, & !< constituent number
so,ph, me
do co = 1,homogenization_Nconstituents(material_homogenizationAt(el))
ph = material_phaseAt(co,el)
me = material_phaseMemberAt(co,ip,el)
call mech_initializeRestorationPoints(ph,me)
do so = 1, phase_Nsources(material_phaseAt(co,el))
sourceState(ph)%p(so)%partitionedState0(:,me) = sourceState(ph)%p(so)%state0(:,me)
enddo
enddo
end subroutine constitutive_initializeRestorationPoints
!--------------------------------------------------------------------------------------------------
!> @brief Wind homog inc forward.
!--------------------------------------------------------------------------------------------------
subroutine constitutive_windForward(ip,el)
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
integer :: &
co, & !< constituent number
so, ph, me
do co = 1,homogenization_Nconstituents(material_homogenizationAt(el))
ph = material_phaseAt(co,el)
me = material_phaseMemberAt(co,ip,el)
call constitutive_mech_windForward(ph,me)
do so = 1, phase_Nsources(material_phaseAt(co,el))
sourceState(ph)%p(so)%partitionedState0(:,me) = sourceState(ph)%p(so)%state(:,me)
enddo
enddo
end subroutine constitutive_windForward
!--------------------------------------------------------------------------------------------------
!> @brief calculates orientations
!--------------------------------------------------------------------------------------------------
subroutine crystallite_orientations(co,ip,el)
integer, intent(in) :: &
co, & !< counter in integration point component loop
ip, & !< counter in integration point loop
el !< counter in element loop
call crystallite_orientation(co,ip,el)%fromMatrix(transpose(math_rotationalPart(&
constitutive_mech_getF_e(co,ip,el))))
if (plasticState(material_phaseAt(1,el))%nonlocal) &
call plastic_nonlocal_updateCompatibility(crystallite_orientation, &
phase_plasticityInstance(material_phaseAt(1,el)),ip,el)
end subroutine crystallite_orientations
!--------------------------------------------------------------------------------------------------
!> @brief Map 2nd order tensor to reference config
!--------------------------------------------------------------------------------------------------
function crystallite_push33ToRef(co,ip,el, tensor33)
real(pReal), dimension(3,3), intent(in) :: tensor33
integer, intent(in):: &
el, &
ip, &
co
real(pReal), dimension(3,3) :: crystallite_push33ToRef
real(pReal), dimension(3,3) :: T
T = matmul(material_orientation0(co,ip,el)%asMatrix(),transpose(math_inv33(constitutive_mech_getF(co,ip,el)))) ! ToDo: initial orientation correct?
crystallite_push33ToRef = matmul(transpose(T),matmul(tensor33,T))
end function crystallite_push33ToRef
!--------------------------------------------------------------------------------------------------
!> @brief integrate stress, state with adaptive 1st order explicit Euler method
!> using Fixed Point Iteration to adapt the stepsize
!--------------------------------------------------------------------------------------------------
function integrateSourceState(dt,co,ip,el) result(broken)
real(pReal), intent(in) :: dt
integer, intent(in) :: &
el, & !< element index in element loop
ip, & !< integration point index in ip loop
co !< grain index in grain loop
integer :: &
NiterationState, & !< number of iterations in state loop
ph, &
me, &
so
integer, dimension(maxval(phase_Nsources)) :: &
size_so
real(pReal) :: &
zeta
real(pReal), dimension(constitutive_source_maxSizeDotState) :: &
r ! state residuum
real(pReal), dimension(constitutive_source_maxSizeDotState,2,maxval(phase_Nsources)) :: source_dotState
logical :: &
broken, converged_
ph = material_phaseAt(co,el)
me = material_phaseMemberAt(co,ip,el)
converged_ = .true.
broken = constitutive_thermal_collectDotState(ph,me)
broken = broken .or. constitutive_damage_collectDotState(co,ip,el,ph,me)
if(broken) return
do so = 1, phase_Nsources(ph)
size_so(so) = sourceState(ph)%p(so)%sizeDotState
sourceState(ph)%p(so)%state(1:size_so(so),me) = sourceState(ph)%p(so)%subState0(1:size_so(so),me) &
+ sourceState(ph)%p(so)%dotState (1:size_so(so),me) * dt
source_dotState(1:size_so(so),2,so) = 0.0_pReal
enddo
iteration: do NiterationState = 1, num%nState
do so = 1, phase_Nsources(ph)
if(nIterationState > 1) source_dotState(1:size_so(so),2,so) = source_dotState(1:size_so(so),1,so)
source_dotState(1:size_so(so),1,so) = sourceState(ph)%p(so)%dotState(:,me)
enddo
broken = constitutive_thermal_collectDotState(ph,me)
broken = broken .or. constitutive_damage_collectDotState(co,ip,el,ph,me)
if(broken) exit iteration
do so = 1, phase_Nsources(ph)
zeta = damper(sourceState(ph)%p(so)%dotState(:,me), &
source_dotState(1:size_so(so),1,so),&
source_dotState(1:size_so(so),2,so))
sourceState(ph)%p(so)%dotState(:,me) = sourceState(ph)%p(so)%dotState(:,me) * zeta &
+ source_dotState(1:size_so(so),1,so)* (1.0_pReal - zeta)
r(1:size_so(so)) = sourceState(ph)%p(so)%state (1:size_so(so),me) &
- sourceState(ph)%p(so)%subState0(1:size_so(so),me) &
- sourceState(ph)%p(so)%dotState (1:size_so(so),me) * dt
sourceState(ph)%p(so)%state(1:size_so(so),me) = sourceState(ph)%p(so)%state(1:size_so(so),me) &
- r(1:size_so(so))
converged_ = converged_ .and. converged(r(1:size_so(so)), &
sourceState(ph)%p(so)%state(1:size_so(so),me), &
sourceState(ph)%p(so)%atol(1:size_so(so)))
enddo
if(converged_) then
broken = constitutive_damage_deltaState(constitutive_mech_getF_e(co,ip,el),co,ip,el,ph,me)
exit iteration
endif
enddo iteration
broken = broken .or. .not. converged_
contains
!--------------------------------------------------------------------------------------------------
!> @brief calculate the damping for correction of state and dot state
!--------------------------------------------------------------------------------------------------
real(pReal) pure function damper(current,previous,previous2)
real(pReal), dimension(:), intent(in) ::&
current, previous, previous2
real(pReal) :: dot_prod12, dot_prod22
dot_prod12 = dot_product(current - previous, previous - previous2)
dot_prod22 = dot_product(previous - previous2, previous - previous2)
if ((dot_product(current,previous) < 0.0_pReal .or. dot_prod12 < 0.0_pReal) .and. dot_prod22 > 0.0_pReal) then
damper = 0.75_pReal + 0.25_pReal * tanh(2.0_pReal + 4.0_pReal * dot_prod12 / dot_prod22)
else
damper = 1.0_pReal
endif
end function damper
end function integrateSourceState
!--------------------------------------------------------------------------------------------------
!> @brief determines whether a point is converged
!--------------------------------------------------------------------------------------------------
logical pure function converged(residuum,state,atol)
real(pReal), intent(in), dimension(:) ::&
residuum, state, atol
real(pReal) :: &
rTol
rTol = num%rTol_crystalliteState
converged = all(abs(residuum) <= max(atol, rtol*abs(state)))
end function converged
!--------------------------------------------------------------------------------------------------
!> @brief Write current restart information (Field and constitutive data) to file.
! ToDo: Merge data into one file for MPI
!--------------------------------------------------------------------------------------------------
subroutine constitutive_restartWrite(fileHandle)
integer(HID_T), intent(in) :: fileHandle
integer(HID_T), dimension(2) :: groupHandle
integer :: ph
groupHandle(1) = HDF5_addGroup(fileHandle,'phase')
do ph = 1, size(material_name_phase)
groupHandle(2) = HDF5_addGroup(groupHandle(1),material_name_phase(ph))
call mech_restartWrite(groupHandle(2),ph)
call HDF5_closeGroup(groupHandle(2))
enddo
call HDF5_closeGroup(groupHandle(1))
end subroutine constitutive_restartWrite
!--------------------------------------------------------------------------------------------------
!> @brief Read data for restart
! ToDo: Merge data into one file for MPI
!--------------------------------------------------------------------------------------------------
subroutine constitutive_restartRead(fileHandle)
integer(HID_T), intent(in) :: fileHandle
integer(HID_T), dimension(2) :: groupHandle
integer :: ph
groupHandle(1) = HDF5_openGroup(fileHandle,'phase')
do ph = 1, size(material_name_phase)
groupHandle(2) = HDF5_openGroup(groupHandle(1),material_name_phase(ph))
call mech_restartRead(groupHandle(2),ph)
call HDF5_closeGroup(groupHandle(2))
enddo
call HDF5_closeGroup(groupHandle(1))
end subroutine constitutive_restartRead
end module constitutive