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limit size to actual Ngrains, not potential maximum

This commit is contained in:
Martin Diehl 2019-01-13 09:14:23 +01:00
parent fe28e0d739
commit 11bb6f1f47
3 changed files with 78 additions and 110 deletions
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43
src/homogenization.f90
View File

@ -743,10 +743,8 @@ subroutine homogenization_partitionDeformation(ip,el)
use mesh, only: &
mesh_element
use material, only: &
mappingHomogenization, &
homogenization_type, &
homogenization_maxNgrains, &
homogenization_typeInstance, &
homogenization_Ngrains, &
HOMOGENIZATION_NONE_ID, &
HOMOGENIZATION_ISOSTRAIN_ID, &
HOMOGENIZATION_RGC_ID
@ -761,28 +759,20 @@ subroutine homogenization_partitionDeformation(ip,el)
integer(pInt), intent(in) :: &
ip, & !< integration point
el !< element number
integer(pInt) :: &
instance, of
chosenHomogenization: select case(homogenization_type(mesh_element(3,el)))
case (HOMOGENIZATION_NONE_ID) chosenHomogenization
crystallite_partionedF(1:3,1:3,1:homogenization_maxNgrains,ip,el) = 0.0_pReal
crystallite_partionedF(1:3,1:3,1:1,ip,el) = &
spread(materialpoint_subF(1:3,1:3,ip,el),3,1)
crystallite_partionedF(1:3,1:3,1,ip,el) = materialpoint_subF(1:3,1:3,ip,el)
case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization
instance = homogenization_typeInstance(mesh_element(3,el))
call homogenization_isostrain_partitionDeformation(&
crystallite_partionedF(1:3,1:3,1:homogenization_maxNgrains,ip,el), &
materialpoint_subF(1:3,1:3,ip,el),&
instance)
crystallite_partionedF(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
materialpoint_subF(1:3,1:3,ip,el))
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
instance = homogenization_typeInstance(mesh_element(3,el))
of = mappingHomogenization(1,ip,el)
call homogenization_RGC_partitionDeformation(&
crystallite_partionedF(1:3,1:3,1:homogenization_maxNgrains,ip,el), &
crystallite_partionedF(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
materialpoint_subF(1:3,1:3,ip,el),&
ip, &
el)
@ -869,7 +859,7 @@ subroutine homogenization_averageStressAndItsTangent(ip,el)
use material, only: &
homogenization_type, &
homogenization_typeInstance, &
homogenization_maxNgrains, &
homogenization_Ngrains, &
HOMOGENIZATION_NONE_ID, &
HOMOGENIZATION_ISOSTRAIN_ID, &
HOMOGENIZATION_RGC_ID
@ -884,32 +874,27 @@ subroutine homogenization_averageStressAndItsTangent(ip,el)
integer(pInt), intent(in) :: &
ip, & !< integration point
el !< element number
integer(pInt) :: &
instance
chosenHomogenization: select case(homogenization_type(mesh_element(3,el)))
case (HOMOGENIZATION_NONE_ID) chosenHomogenization
materialpoint_P(1:3,1:3,ip,el) = sum(crystallite_P(1:3,1:3,1:1,ip,el),3)
materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el) &
= sum(crystallite_dPdF(1:3,1:3,1:3,1:3,1:1,ip,el),5)
materialpoint_P(1:3,1:3,ip,el) = crystallite_P(1:3,1:3,1,ip,el)
materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el) = crystallite_dPdF(1:3,1:3,1:3,1:3,1,ip,el)
case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization
instance = homogenization_typeInstance(mesh_element(3,el))
call homogenization_isostrain_averageStressAndItsTangent(&
materialpoint_P(1:3,1:3,ip,el), &
materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el),&
crystallite_P(1:3,1:3,1:homogenization_maxNgrains,ip,el), &
crystallite_dPdF(1:3,1:3,1:3,1:3,1:homogenization_maxNgrains,ip,el), &
instance)
crystallite_P(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
crystallite_dPdF(1:3,1:3,1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
homogenization_typeInstance(mesh_element(3,el)))
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
instance = homogenization_typeInstance(mesh_element(3,el))
call homogenization_RGC_averageStressAndItsTangent(&
materialpoint_P(1:3,1:3,ip,el), &
materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el),&
crystallite_P(1:3,1:3,1:homogenization_maxNgrains,ip,el), &
crystallite_dPdF(1:3,1:3,1:3,1:3,1:homogenization_maxNgrains,ip,el), &
instance)
crystallite_P(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
crystallite_dPdF(1:3,1:3,1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
homogenization_typeInstance(mesh_element(3,el)))
end select chosenHomogenization
end subroutine homogenization_averageStressAndItsTangent

97
src/homogenization_RGC.f90
View File

@ -66,7 +66,8 @@ module homogenization_RGC
type(tparameters), dimension(:), allocatable, private :: &
param
type(tRGCstate), dimension(:), allocatable, private :: &
state
state, &
state0
type(tRGCdependentState), dimension(:), allocatable, private :: &
dependentState
@ -100,24 +101,35 @@ subroutine homogenization_RGC_init()
pReal, &
pInt
use debug, only: &
#ifdef DEBUG
debug_i, &
debug_e, &
#endif
debug_level, &
debug_homogenization, &
debug_levelBasic, &
debug_levelExtensive
debug_levelBasic
use math, only: &
math_EulerToR,&
INRAD
use IO, only: &
IO_error, &
IO_timeStamp
use material
use material, only: &
homogenization_type, &
material_homog, &
homogState, &
HOMOGENIZATION_RGC_ID, &
HOMOGENIZATION_RGC_LABEL, &
homogenization_typeInstance, &
homogenization_Noutput, &
homogenization_Ngrains
use config, only: &
config_homogenization
implicit none
integer(pInt) :: &
Ninstance, &
h, i, j, &
h, i, &
NofMyHomog, outputSize, &
sizeState, nIntFaceTot
@ -143,6 +155,7 @@ subroutine homogenization_RGC_init()
allocate(param(Ninstance))
allocate(state(Ninstance))
allocate(state0(Ninstance))
allocate(dependentState(Ninstance))
allocate(homogenization_RGC_sizePostResult(maxval(homogenization_Noutput),Ninstance),source=0_pInt)
@ -153,13 +166,14 @@ subroutine homogenization_RGC_init()
if (homogenization_type(h) /= HOMOGENIZATION_RGC_ID) cycle
associate(prm => param(homogenization_typeInstance(h)), &
stt => state(homogenization_typeInstance(h)), &
st0 => state0(homogenization_typeInstance(h)), &
dst => dependentState(homogenization_typeInstance(h)), &
config => config_homogenization(h))
#ifdef DEBUG
if (h==material_homogenizationAt(debug_e)) then
prm%of_debug = mappingHomogenization(1,debug_i,debug_e)
endif
!if (h==material_homogenizationAt(debug_e)) then
! prm%of_debug = mappingHomogenization(1,debug_i,debug_e)
!endif
#endif
prm%Nconstituents = config%getInts('clustersize',requiredShape=[3])
@ -206,15 +220,6 @@ subroutine homogenization_RGC_init()
enddo
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt) then
write(6,'(a15,1x,i4,/)') 'instance: ', homogenization_typeInstance(h)
write(6,'(a25,3(1x,i8))') 'cluster size: ',(prm%Nconstituents(j),j=1_pInt,3_pInt)
write(6,'(a25,1x,e10.3)') 'scaling parameter: ', prm%xiAlpha
write(6,'(a25,1x,e10.3)') 'over-proportionality: ', prm%ciAlpha
write(6,'(a25,3(1x,e10.3))') 'grain size: ',(prm%dAlpha(j),j=1_pInt,3_pInt)
write(6,'(a25,3(1x,e10.3))') 'cluster orientation: ',(prm%angles(j),j=1_pInt,3_pInt)
endif
NofMyHomog = count(material_homog == h)
nIntFaceTot = 3_pInt*( (prm%Nconstituents(1)-1_pInt)*prm%Nconstituents(2)*prm%Nconstituents(3) &
+ prm%Nconstituents(1)*(prm%Nconstituents(2)-1_pInt)*prm%Nconstituents(3) &
@ -229,6 +234,7 @@ subroutine homogenization_RGC_init()
allocate(homogState(h)%state (sizeState,NofMyHomog), source=0.0_pReal)
stt%relaxationVector => homogState(h)%state(1:nIntFaceTot,:)
st0%relaxationVector => homogState(h)%state0(1:nIntFaceTot,:)
stt%work => homogState(h)%state(nIntFaceTot+1,:)
stt%penaltyEnergy => homogState(h)%state(nIntFaceTot+2,:)
@ -238,12 +244,9 @@ subroutine homogenization_RGC_init()
allocate(dst%mismatch( 3, NofMyHomog))
allocate(dst%orientation( 3,3,NofMyHomog))
!--------------------------------------------------------------------------------------------------
! assigning cluster orientations
do j=1, NofMyHomog
dst%orientation(1:3,1:3,j) = math_EulerToR(prm%angles*inRad) !ToDo: use spread
enddo
dst%orientation = spread(math_EulerToR(prm%angles*inRad),3,NofMyHomog)
end associate
@ -262,13 +265,11 @@ subroutine homogenization_RGC_partitionDeformation(F,avgF,instance,of)
debug_homogenization, &
debug_levelExtensive
#endif
use material, only: &
homogenization_maxNgrains
implicit none
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(out) :: F !< partioned F per grain
real(pReal), dimension (:,:,:), intent(out) :: F !< partioned F per grain
real(pReal), dimension (3,3), intent(in) :: avgF !< averaged F
real(pReal), dimension (:,:), intent(in) :: avgF !< averaged F
integer(pInt), intent(in) :: &
instance, &
of
@ -278,10 +279,10 @@ subroutine homogenization_RGC_partitionDeformation(F,avgF,instance,of)
integer(pInt), dimension (3) :: iGrain3
integer(pInt) :: iGrain,iFace,i,j
!--------------------------------------------------------------------------------------------------
! compute the deformation gradient of individual grains due to relaxations
associate(prm => param(instance))
!--------------------------------------------------------------------------------------------------
! compute the deformation gradient of individual grains due to relaxations
F = 0.0_pReal
do iGrain = 1_pInt,product(prm%Nconstituents)
iGrain3 = grain1to3(iGrain,prm%Nconstituents)
@ -294,8 +295,6 @@ subroutine homogenization_RGC_partitionDeformation(F,avgF,instance,of)
enddo
F(1:3,1:3,iGrain) = F(1:3,1:3,iGrain) + avgF ! resulting relaxed deformation gradient
!--------------------------------------------------------------------------------------------------
! debugging the grain deformation gradients
#ifdef DEBUG
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt) then
write(6,'(1x,a32,1x,i3)')'Deformation gradient of grain: ',iGrain
@ -329,14 +328,12 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
debug_i
#endif
use math, only: &
math_invert
math_invert2
use material, only: &
material_homogenizationAt, &
homogenization_maxNgrains, &
homogenization_typeInstance, &
homogState, &
mappingHomogenization, &
homogenization_Ngrains
homogenization_maxNgrains
use numerics, only: &
absTol_RGC, &
relTol_RGC, &
@ -380,11 +377,10 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
return
endif zeroTimeStep
instance = homogenization_typeInstance(material_homogenizationAt(el))
of = mappingHomogenization(1,ip,el)
associate(stt => state(instance), dst => dependentState(instance), prm => param(instance))
associate(stt => state(instance), st0 => state0(instance), dst => dependentState(instance), prm => param(instance))
!--------------------------------------------------------------------------------------------------
! get the dimension of the cluster (grains and interfaces)
@ -399,8 +395,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
allocate(resid(3_pInt*nIntFaceTot), source=0.0_pReal)
allocate(tract(nIntFaceTot,3), source=0.0_pReal)
relax = stt%relaxationVector(:,of)
drelax = relax &
- homogState(mappingHomogenization(2,ip,el))%state0(1:3_pInt*nIntFaceTot,of)
drelax = stt%relaxationVector(:,of) - st0%relaxationVector(:,of)
#ifdef DEBUG
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt) then
@ -513,7 +508,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
!--------------------------------------------------------------------------------------------------
! compute/update the state for postResult, i.e., all energy densities computed by time-integration
do iGrain = 1_pInt,homogenization_Ngrains(material_homogenizationAt(el)) ! time-integration loop for work and energy
do iGrain = 1_pInt,product(prm%Nconstituents)
do i = 1_pInt,3_pInt;do j = 1_pInt,3_pInt
stt%work(of) = stt%work(of) &
+ P(i,j,iGrain)*(F(i,j,iGrain) - F0(i,j,iGrain))/real(nGrain,pReal)
@ -726,7 +721,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
!--------------------------------------------------------------------------------------------------
! computing the update of the state variable (relaxation vectors) using the Jacobian matrix
allocate(jnverse(3_pInt*nIntFaceTot,3_pInt*nIntFaceTot),source=0.0_pReal)
call math_invert(size(jmatrix,1),jmatrix,jnverse,error) ! Compute the inverse of the overall Jacobian matrix
call math_invert2(jnverse,error,jmatrix)
#ifdef DEBUG
if (iand(debug_level(debug_homogenization), debug_levelExtensive) /= 0_pInt) then
@ -745,8 +740,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
do i = 1_pInt,3_pInt*nIntFaceTot;do j = 1_pInt,3_pInt*nIntFaceTot
drelax(i) = drelax(i) - jnverse(i,j)*resid(j) ! Calculate the correction for the state variable
enddo; enddo
relax = relax + drelax ! Updateing the state variable for the next iteration
stt%relaxationVector(:,of) = relax
stt%relaxationVector(:,of) = relax + drelax ! Updateing the state variable for the next iteration
if (any(abs(drelax) > maxdRelax_RGC)) then ! Forcing cutback when the incremental change of relaxation vector becomes too large
homogenization_RGC_updateState = [.true.,.false.]
!$OMP CRITICAL (write2out)
@ -760,7 +754,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
if (iand(debug_homogenization, debug_levelExtensive) > 0_pInt) then
write(6,'(1x,a30)')'Returned state: '
do i = 1_pInt,size(stt%relaxationVector(:,of))
write(6,'(1x,2(e15.8,1x))') stt%relaxationVector(:,of)
write(6,'(1x,2(e15.8,1x))') stt%relaxationVector(i,of)
enddo
write(6,*)' '
flush(6)
@ -813,7 +807,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
#ifdef DEBUG
debugActive = iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt &
.and. prm%of_debug = of
.and. prm%of_debug == of
if (debugActive) then
write(6,'(1x,a20,2(1x,i3))')'Correction factor: ',ip,el
@ -1015,13 +1009,14 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
!--------------------------------------------------------------------------------------------------
!> @brief calculating the grain deformation gradient (the same with
! homogenization_RGC_partionDeformation, but used only for perturbation scheme)
! homogenization_RGC_partitionDeformation, but used only for perturbation scheme)
!--------------------------------------------------------------------------------------------------
subroutine grainDeformation(F, avgF, instance, of)
implicit none
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(out) :: F !< partioned F per grain
real(pReal), dimension (3,3), intent(in) :: avgF !<
real(pReal), dimension (:,:,:), intent(out) :: F !< partioned F per grain
real(pReal), dimension (:,:), intent(in) :: avgF !< averaged F
integer(pInt), intent(in) :: &
instance, &
of
@ -1031,7 +1026,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
integer(pInt), dimension (3) :: iGrain3
integer(pInt) :: iGrain,iFace,i,j
!--------------------------------------------------------------------------------------------------
!-------------------------------------------------------------------------------------------------
! compute the deformation gradient of individual grains due to relaxations
associate(prm => param(instance))
@ -1060,14 +1055,13 @@ end function homogenization_RGC_updateState
!> @brief derive average stress and stiffness from constituent quantities
!--------------------------------------------------------------------------------------------------
subroutine homogenization_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
use material, only: &
homogenization_maxNgrains
implicit none
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 (3,3,homogenization_maxNgrains), intent(in) :: P !< array of current grain stresses
real(pReal), dimension (3,3,3,3,homogenization_maxNgrains), intent(in) :: dPdF !< array of current grain stiffnesses
real(pReal), dimension (:,:,:), intent(in) :: P !< partitioned stresses
real(pReal), dimension (:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
integer(pInt), intent(in) :: instance
avgP = sum(P,3) /real(product(param(instance)%Nconstituents),pReal)
@ -1080,6 +1074,7 @@ end subroutine homogenization_RGC_averageStressAndItsTangent
!> @brief return array of homogenization results for post file inclusion
!--------------------------------------------------------------------------------------------------
pure function homogenization_RGC_postResults(instance,of) result(postResults)
implicit none
integer(pInt), intent(in) :: &
instance, &

22
src/homogenization_isostrain.f90
View File

@ -110,26 +110,16 @@ end subroutine homogenization_isostrain_init
!--------------------------------------------------------------------------------------------------
!> @brief partitions the deformation gradient onto the constituents
!--------------------------------------------------------------------------------------------------
subroutine homogenization_isostrain_partitionDeformation(F,avgF,instance)
subroutine homogenization_isostrain_partitionDeformation(F,avgF)
use prec, only: &
pReal
use material, only: &
homogenization_maxNgrains
implicit none
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(out) :: F !< partitioned deformation gradient
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
integer(pInt), intent(in) :: instance
associate(prm => param(instance))
F(1:3,1:3,1:prm%Nconstituents) = spread(avgF,3,prm%Nconstituents)
if (homogenization_maxNgrains > prm%Nconstituents) &
F(1:3,1:3,prm%Nconstituents+1_pInt:homogenization_maxNgrains) = 0.0_pReal
end associate
F = spread(avgF,3,size(F,3))
end subroutine homogenization_isostrain_partitionDeformation
@ -140,15 +130,13 @@ end subroutine homogenization_isostrain_partitionDeformation
subroutine homogenization_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
use prec, only: &
pReal
use material, only: &
homogenization_maxNgrains
implicit none
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 (3,3,homogenization_maxNgrains), intent(in) :: P !< partitioned stresses
real(pReal), dimension (3,3,3,3,homogenization_maxNgrains), intent(in) :: dPdF !< partitioned stiffnesses
real(pReal), dimension (:,:,:), intent(in) :: P !< partitioned stresses
real(pReal), dimension (:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
integer(pInt), intent(in) :: instance
associate(prm => param(instance))