code follows structure

This commit is contained in:
Martin Diehl 2020-12-16 11:21:24 +01:00
parent d7889aff12
commit 5d9c931008
6 changed files with 252 additions and 170 deletions

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@ -52,6 +52,7 @@
#include "damage_local.f90"
#include "damage_nonlocal.f90"
#include "homogenization.f90"
#include "homogenization_mech.f90"
#include "homogenization_mech_none.f90"
#include "homogenization_mech_isostrain.f90"
#include "homogenization_mech_RGC.f90"

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@ -31,13 +31,15 @@ module homogenization
!--------------------------------------------------------------------------------------------------
! 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 :: &
homogenization_P !< first P--K stress of IP
real(pReal), dimension(:,:,:,:,:,:), allocatable, public, protected :: &
homogenization_dPdF !< tangent of first P--K stress at IP
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
@ -62,52 +64,37 @@ module homogenization
type(tDebugOptions) :: debugHomog
!--------------------------------------------------------------------------------------------------
interface
module subroutine mech_none_init
end subroutine mech_none_init
module subroutine mech_isostrain_init
end subroutine mech_isostrain_init
module subroutine mech_RGC_init(num_homogMech)
module subroutine mech_init(num_homog)
class(tNode), pointer, intent(in) :: &
num_homogMech !< pointer to mechanical homogenization numerics data
end subroutine mech_RGC_init
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_isostrain_partitionDeformation(F,avgF)
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
end subroutine mech_isostrain_partitionDeformation
module subroutine mech_homogenize(ip,el)
integer, intent(in) :: &
ip, & !< integration point
el !< element number
end subroutine mech_homogenize
module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
integer, intent(in) :: &
instance, &
of
end subroutine mech_RGC_partitionDeformation
module subroutine mech_results(group_base,h)
character(len=*), intent(in) :: group_base
integer, intent(in) :: h
module subroutine mech_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
real(pReal), dimension (:,:,:), intent(in) :: P !< partitioned stresses
real(pReal), dimension (:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
integer, intent(in) :: instance
end subroutine mech_isostrain_averageStressAndItsTangent
module subroutine mech_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
real(pReal), dimension (:,:,:), intent(in) :: P !< partitioned stresses
real(pReal), dimension (:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
integer, intent(in) :: instance
end subroutine mech_RGC_averageStressAndItsTangent
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) :: &
@ -122,13 +109,8 @@ module homogenization
el !< element number
end function mech_RGC_updateState
module subroutine mech_RGC_results(instance,group)
integer, intent(in) :: instance !< homogenization instance
character(len=*), intent(in) :: group !< group name in HDF5 file
end subroutine mech_RGC_results
end interface
! -----------------------------------------------------------------------
public :: &
homogenization_init, &
@ -145,10 +127,11 @@ subroutine homogenization_init
class (tNode) , pointer :: &
num_homog, &
num_homogMech, &
num_homogGeneric, &
debug_homogenization
print'(/,a)', ' <<<+- homogenization init -+>>>'; flush(IO_STDOUT)
debug_homogenization => config_debug%get('homogenization', defaultVal=emptyList)
debugHomog%basic = debug_homogenization%contains('basic')
debugHomog%extensive = debug_homogenization%contains('extensive')
@ -163,31 +146,8 @@ subroutine homogenization_init
num_homog => config_numerics%get('homogenization',defaultVal=emptyDict)
num_homogMech => num_homog%get('mech',defaultVal=emptyDict)
num_homogGeneric => num_homog%get('generic',defaultVal=emptyDict)
if (any(homogenization_type == HOMOGENIZATION_NONE_ID)) call mech_none_init
if (any(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)) call mech_isostrain_init
if (any(homogenization_type == HOMOGENIZATION_RGC_ID)) call mech_RGC_init(num_homogMech)
if (any(thermal_type == THERMAL_isothermal_ID)) call thermal_isothermal_init
if (any(thermal_type == THERMAL_adiabatic_ID)) call thermal_adiabatic_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_local_ID)) call damage_local_init
if (any(damage_type == DAMAGE_nonlocal_ID)) call damage_nonlocal_init
!--------------------------------------------------------------------------------------------------
! allocate and initialize global variables
allocate(homogenization_dPdF(3,3,3,3,discretization_nIPs,discretization_Nelems), source=0.0_pReal)
homogenization_F0 = spread(spread(math_I3,3,discretization_nIPs),4,discretization_Nelems) ! initialize to identity
homogenization_F = homogenization_F0 ! initialize to identity
allocate(homogenization_P(3,3,discretization_nIPs,discretization_Nelems), source=0.0_pReal)
print'(/,a)', ' <<<+- homogenization init -+>>>'; flush(IO_STDOUT)
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)
@ -198,6 +158,18 @@ subroutine homogenization_init
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_adiabatic_ID)) call thermal_adiabatic_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_local_ID)) call damage_local_init
if (any(damage_type == DAMAGE_nonlocal_ID)) call damage_nonlocal_init
end subroutine homogenization_init
@ -330,7 +302,7 @@ subroutine materialpoint_stressAndItsTangent(dt)
myNgrains = homogenization_Nconstituents(material_homogenizationAt(e))
IpLooping2: do i = FEsolving_execIP(1),FEsolving_execIP(2)
if(requested(i,e) .and. .not. doneAndHappy(1,i,e)) then ! requested but not yet done
call partitionDeformation(homogenization_F0(1:3,1:3,i,e) &
call mech_partition(homogenization_F0(1:3,1:3,i,e) &
+ (homogenization_F(1:3,1:3,i,e)-homogenization_F0(1:3,1:3,i,e))&
*(subStep(i,e)+subFrac(i,e)), &
i,e)
@ -379,7 +351,7 @@ subroutine materialpoint_stressAndItsTangent(dt)
!$OMP PARALLEL DO
elementLooping4: do e = FEsolving_execElem(1),FEsolving_execElem(2)
IpLooping4: do i = FEsolving_execIP(1),FEsolving_execIP(2)
call averageStressAndItsTangent(i,e)
call mech_homogenize(i,e)
enddo IpLooping4
enddo elementLooping4
!$OMP END PARALLEL DO
@ -390,38 +362,6 @@ subroutine materialpoint_stressAndItsTangent(dt)
end subroutine materialpoint_stressAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief partition material point def grad onto constituents
!--------------------------------------------------------------------------------------------------
subroutine partitionDeformation(subF,ip,el)
real(pReal), intent(in), dimension(3,3) :: &
subF
integer, intent(in) :: &
ip, & !< integration point
el !< element number
chosenHomogenization: select case(homogenization_type(material_homogenizationAt(el)))
case (HOMOGENIZATION_NONE_ID) chosenHomogenization
crystallite_partitionedF(1:3,1:3,1,ip,el) = subF
case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization
call mech_isostrain_partitionDeformation(&
crystallite_partitionedF(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), &
subF)
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
call mech_RGC_partitionDeformation(&
crystallite_partitionedF(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), &
subF,&
ip, &
el)
end select chosenHomogenization
end subroutine partitionDeformation
!--------------------------------------------------------------------------------------------------
!> @brief update the internal state of the homogenization scheme and tell whether "done" and
!> "happy" with result
@ -478,49 +418,6 @@ function updateState(subdt,subF,ip,el)
end function updateState
!--------------------------------------------------------------------------------------------------
!> @brief derive average stress and stiffness from constituent quantities
!--------------------------------------------------------------------------------------------------
subroutine averageStressAndItsTangent(ip,el)
integer, intent(in) :: &
ip, & !< integration point
el !< element number
integer :: c
real(pReal) :: dPdFs(3,3,3,3,homogenization_Nconstituents(material_homogenizationAt(el)))
chosenHomogenization: select case(homogenization_type(material_homogenizationAt(el)))
case (HOMOGENIZATION_NONE_ID) chosenHomogenization
homogenization_P(1:3,1:3,ip,el) = crystallite_P(1:3,1:3,1,ip,el)
homogenization_dPdF(1:3,1:3,1:3,1:3,ip,el) = crystallite_stressTangent(1,ip,el)
case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization
do c = 1, homogenization_Nconstituents(material_homogenizationAt(el))
dPdFs(:,:,:,:,c) = crystallite_stressTangent(c,ip,el)
enddo
call mech_isostrain_averageStressAndItsTangent(&
homogenization_P(1:3,1:3,ip,el), &
homogenization_dPdF(1:3,1:3,1:3,1:3,ip,el),&
crystallite_P(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), &
dPdFs, &
homogenization_typeInstance(material_homogenizationAt(el)))
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
do c = 1, homogenization_Nconstituents(material_homogenizationAt(el))
dPdFs(:,:,:,:,c) = crystallite_stressTangent(c,ip,el)
enddo
call mech_RGC_averageStressAndItsTangent(&
homogenization_P(1:3,1:3,ip,el), &
homogenization_dPdF(1:3,1:3,1:3,1:3,ip,el),&
crystallite_P(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), &
dPdFs, &
homogenization_typeInstance(material_homogenizationAt(el)))
end select chosenHomogenization
end subroutine averageStressAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief writes homogenization results to HDF5 output file
!--------------------------------------------------------------------------------------------------
@ -531,27 +428,12 @@ subroutine homogenization_results
integer :: p
character(len=:), allocatable :: group_base,group
!real(pReal), dimension(:,:,:), allocatable :: temp
do p=1,size(material_name_homogenization)
group_base = 'current/homogenization/'//trim(material_name_homogenization(p))
call results_closeGroup(results_addGroup(group_base))
group = trim(group_base)//'/generic'
call results_closeGroup(results_addGroup(group))
!temp = reshape(homogenization_F,[3,3,discretization_nIPs*discretization_Nelems])
!call results_writeDataset(group,temp,'F',&
! 'deformation gradient','1')
!temp = reshape(homogenization_P,[3,3,discretization_nIPs*discretization_Nelems])
!call results_writeDataset(group,temp,'P',&
! '1st Piola-Kirchhoff stress','Pa')
group = trim(group_base)//'/mech'
call results_closeGroup(results_addGroup(group))
select case(material_homogenization_type(p))
case(HOMOGENIZATION_rgc_ID)
call mech_RGC_results(homogenization_typeInstance(p),group)
end select
call mech_results(group_base,p)
group = trim(group_base)//'/damage'
call results_closeGroup(results_addGroup(group))

199
src/homogenization_mech.f90 Normal file
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@ -0,0 +1,199 @@
!--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, KU Leuven
!> @brief Partition F and homogenize P/dPdF
!--------------------------------------------------------------------------------------------------
submodule(homogenization) homogenization_mech
interface
module subroutine mech_none_init
end subroutine mech_none_init
module subroutine mech_isostrain_init
end subroutine mech_isostrain_init
module subroutine mech_RGC_init(num_homogMech)
class(tNode), pointer, intent(in) :: &
num_homogMech !< pointer to mechanical homogenization numerics data
end subroutine mech_RGC_init
module subroutine mech_isostrain_partitionDeformation(F,avgF)
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
end subroutine mech_isostrain_partitionDeformation
module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
integer, intent(in) :: &
instance, &
of
end subroutine mech_RGC_partitionDeformation
module subroutine mech_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
real(pReal), dimension (:,:,:), intent(in) :: P !< partitioned stresses
real(pReal), dimension (:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
integer, intent(in) :: instance
end subroutine mech_isostrain_averageStressAndItsTangent
module subroutine mech_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
real(pReal), dimension (:,:,:), intent(in) :: P !< partitioned stresses
real(pReal), dimension (:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
integer, intent(in) :: instance
end subroutine mech_RGC_averageStressAndItsTangent
module subroutine mech_RGC_results(instance,group)
integer, intent(in) :: instance !< homogenization instance
character(len=*), intent(in) :: group !< group name in HDF5 file
end subroutine mech_RGC_results
end interface
contains
!--------------------------------------------------------------------------------------------------
!> @brief Allocate variables and set parameters.
!--------------------------------------------------------------------------------------------------
module subroutine mech_init(num_homog)
class(tNode), pointer, intent(in) :: &
num_homog
class(tNode), pointer :: &
num_homogMech
print'(/,a)', ' <<<+- homogenization_mech init -+>>>'
allocate(homogenization_dPdF(3,3,3,3,discretization_nIPs,discretization_Nelems), source=0.0_pReal)
homogenization_F0 = spread(spread(math_I3,3,discretization_nIPs),4,discretization_Nelems) ! initialize to identity
homogenization_F = homogenization_F0 ! initialize to identity
allocate(homogenization_P(3,3,discretization_nIPs,discretization_Nelems), source=0.0_pReal)
num_homogMech => num_homog%get('mech',defaultVal=emptyDict)
if (any(homogenization_type == HOMOGENIZATION_NONE_ID)) call mech_none_init
if (any(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)) call mech_isostrain_init
if (any(homogenization_type == HOMOGENIZATION_RGC_ID)) call mech_RGC_init(num_homogMech)
end subroutine mech_init
!--------------------------------------------------------------------------------------------------
!> @brief Partition F onto the individual constituents.
!--------------------------------------------------------------------------------------------------
module subroutine mech_partition(subF,ip,el)
real(pReal), intent(in), dimension(3,3) :: &
subF
integer, intent(in) :: &
ip, & !< integration point
el !< element number
chosenHomogenization: select case(homogenization_type(material_homogenizationAt(el)))
case (HOMOGENIZATION_NONE_ID) chosenHomogenization
crystallite_partitionedF(1:3,1:3,1,ip,el) = subF
case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization
call mech_isostrain_partitionDeformation(&
crystallite_partitionedF(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), &
subF)
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
call mech_RGC_partitionDeformation(&
crystallite_partitionedF(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), &
subF,&
ip, &
el)
end select chosenHomogenization
end subroutine mech_partition
!--------------------------------------------------------------------------------------------------
!> @brief Average P and dPdF from the individual constituents.
!--------------------------------------------------------------------------------------------------
module subroutine mech_homogenize(ip,el)
integer, intent(in) :: &
ip, & !< integration point
el !< element number
integer :: c
real(pReal) :: dPdFs(3,3,3,3,homogenization_Nconstituents(material_homogenizationAt(el)))
chosenHomogenization: select case(homogenization_type(material_homogenizationAt(el)))
case (HOMOGENIZATION_NONE_ID) chosenHomogenization
homogenization_P(1:3,1:3,ip,el) = crystallite_P(1:3,1:3,1,ip,el)
homogenization_dPdF(1:3,1:3,1:3,1:3,ip,el) = crystallite_stressTangent(1,ip,el)
case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization
do c = 1, homogenization_Nconstituents(material_homogenizationAt(el))
dPdFs(:,:,:,:,c) = crystallite_stressTangent(c,ip,el)
enddo
call mech_isostrain_averageStressAndItsTangent(&
homogenization_P(1:3,1:3,ip,el), &
homogenization_dPdF(1:3,1:3,1:3,1:3,ip,el),&
crystallite_P(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), &
dPdFs, &
homogenization_typeInstance(material_homogenizationAt(el)))
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
do c = 1, homogenization_Nconstituents(material_homogenizationAt(el))
dPdFs(:,:,:,:,c) = crystallite_stressTangent(c,ip,el)
enddo
call mech_RGC_averageStressAndItsTangent(&
homogenization_P(1:3,1:3,ip,el), &
homogenization_dPdF(1:3,1:3,1:3,1:3,ip,el),&
crystallite_P(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), &
dPdFs, &
homogenization_typeInstance(material_homogenizationAt(el)))
end select chosenHomogenization
end subroutine mech_homogenize
!--------------------------------------------------------------------------------------------------
!> @brief Write results to file.
!--------------------------------------------------------------------------------------------------
module subroutine mech_results(group_base,h)
use material, only: &
material_homogenization_type => homogenization_type
character(len=*), intent(in) :: group_base
integer, intent(in) :: h
character(len=:), allocatable :: group
group = trim(group_base)//'/mech'
call results_closeGroup(results_addGroup(group))
select case(material_homogenization_type(h))
case(HOMOGENIZATION_rgc_ID)
call mech_RGC_results(homogenization_typeInstance(h),group)
end select
!temp = reshape(homogenization_F,[3,3,discretization_nIPs*discretization_Nelems])
!call results_writeDataset(group,temp,'F',&
! 'deformation gradient','1')
!temp = reshape(homogenization_P,[3,3,discretization_nIPs*discretization_Nelems])
!call results_writeDataset(group,temp,'P',&
! '1st Piola-Kirchhoff stress','Pa')
end subroutine mech_results
end submodule homogenization_mech

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@ -6,7 +6,7 @@
!> @brief Relaxed grain cluster (RGC) homogenization scheme
!> N_constituents is defined as p x q x r (cluster)
!--------------------------------------------------------------------------------------------------
submodule(homogenization) homogenization_mech_RGC
submodule(homogenization:homogenization_mech) homogenization_mech_RGC
use rotations
type :: tParameters

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@ -4,7 +4,7 @@
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Isostrain (full constraint Taylor assuption) homogenization scheme
!--------------------------------------------------------------------------------------------------
submodule(homogenization) homogenization_mech_isostrain
submodule(homogenization:homogenization_mech) homogenization_mech_isostrain
enum, bind(c); enumerator :: &
parallel_ID, &

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@ -4,7 +4,7 @@
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief dummy homogenization homogenization scheme for 1 constituent per material point
!--------------------------------------------------------------------------------------------------
submodule(homogenization) homogenization_mech_none
submodule(homogenization:homogenization_mech) homogenization_mech_none
contains
@ -28,7 +28,7 @@ module subroutine mech_none_init
if(homogenization_Nconstituents(h) /= 1) &
call IO_error(211,ext_msg='N_constituents (mech_none)')
Nmaterialpoints = count(material_homogenizationAt == h)
homogState(h)%sizeState = 0
allocate(homogState(h)%state0 (0,Nmaterialpoints))