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mesh_element should not be used anymore

This commit is contained in:
Martin Diehl 2018-10-13 18:21:13 +02:00
parent 06d71d9d2c
commit 17c21dfc92
2 changed files with 49 additions and 59 deletions
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6
src/homogenization.f90
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@ -1163,11 +1163,7 @@ function homogenization_postResults(ip,el)
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
homogenization_postResults(startPos:endPos) = &
homogenization_RGC_postResults(&
ip, &
el, &
materialpoint_P(1:3,1:3,ip,el), &
materialpoint_F(1:3,1:3,ip,el))
homogenization_RGC_postResults(ip,el)
end select chosenHomogenization
startPos = endPos + 1_pInt

102
src/homogenization_RGC.f90
View File

@ -20,7 +20,7 @@ module homogenization_RGC
character(len=64), dimension(:,:), allocatable,target, public :: &
homogenization_RGC_output ! name of each post result output
integer(pInt), dimension(:), allocatable,target, public :: &
homogenization_RGC_Noutput !< number of outputs per homog instance
homogenization_RGC_Noutput !< number of outputs per homog instance
enum, bind(c)
enumerator :: undefined_ID, &
@ -48,9 +48,17 @@ module homogenization_RGC
outputID !< ID of each post result output
end type
type, private :: tRGCState
real(pReal), pointer, dimension(:,:) :: &
work, &
mismatch, &
penaltyEnergy, &
volumeDiscrepancy, &
relaxationRate_avg, &
relaxationRage_max
end type
! START: Could be improved
integer(pInt), dimension(:,:), allocatable, private :: &
homogenization_RGC_Ngrains
real(pReal), dimension(:,:,:,:), allocatable, private :: &
homogenization_RGC_orientation
! END: Could be improved
@ -104,11 +112,10 @@ subroutine homogenization_RGC_init(fileUnit)
math_EulerToR,&
INRAD
use mesh, only: &
mesh_maxNips, &
mesh_NcpElems,&
mesh_element, &
FE_Nips, &
FE_geomtype
mesh_NcpElems,&
mesh_NipsPerElem, &
mesh_homogenizationAt, &
mesh_microstructureAt
use IO
use material
use config
@ -149,8 +156,7 @@ subroutine homogenization_RGC_init(fileUnit)
homogenization_RGC_output=''
allocate(homogenization_RGC_sizePostResult(maxval(homogenization_Noutput),maxNinstance),&
source=0_pInt)
allocate(homogenization_RGC_Ngrains(3,maxNinstance), source=0_pInt)
allocate(homogenization_RGC_orientation(3,3,mesh_maxNips,mesh_NcpElems), source=0.0_pReal)
allocate(homogenization_RGC_orientation(3,3,mesh_NipsPerElem,mesh_NcpElems), source=0.0_pReal)
do h = 1_pInt, size(homogenization_type)
if (homogenization_type(h) /= HOMOGENIZATION_RGC_ID) cycle
@ -158,7 +164,6 @@ subroutine homogenization_RGC_init(fileUnit)
associate(prm => param(instance))
prm%Nconstituents = config_homogenization(h)%getInts('clustersize',requiredShape=[3])
homogenization_RGC_Ngrains(:,instance) = prm%Nconstituents
if (homogenization_Ngrains(h) /= product(prm%Nconstituents)) &
call IO_error(211_pInt,ext_msg='clustersize ('//HOMOGENIZATION_RGC_label//')')
prm%xiAlpha = config_homogenization(h)%getFloat('scalingparameter')
@ -203,16 +208,16 @@ subroutine homogenization_RGC_init(fileUnit)
!--------------------------------------------------------------------------------------------------
! * assigning cluster orientations
elementLooping: do e = 1_pInt,mesh_NcpElems
if (homogenization_typeInstance(mesh_element(3,e)) == instance) then
if (homogenization_typeInstance(mesh_homogenizationAt(e)) == instance) then
noOrientationGiven: if (all (prm%angles >= 399.9_pReal)) then
homogenization_RGC_orientation(1:3,1:3,1,e) = math_EulerToR(math_sampleRandomOri())
do i = 2_pInt,FE_Nips(FE_geomtype(mesh_element(2,e)))
do i = 2_pInt,mesh_NipsPerElem
homogenization_RGC_orientation(1:3,1:3,i,e) = merge(homogenization_RGC_orientation(1:3,1:3,1,e), &
math_EulerToR(math_sampleRandomOri()), &
microstructure_elemhomo(mesh_element(4,e)))
microstructure_elemhomo(mesh_microstructureAt(e)))
enddo
else noOrientationGiven
do i = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,e)))
do i = 1_pInt,mesh_NipsPerElem
homogenization_RGC_orientation(1:3,1:3,i,e) = math_EulerToR(prm%angles*inRad)
enddo
endif noOrientationGiven
@ -258,7 +263,7 @@ subroutine homogenization_RGC_partitionDeformation(F,avgF,ip,el)
debug_homogenization, &
debug_levelExtensive
use mesh, only: &
mesh_element
mesh_homogenizationAt
use material, only: &
homogenization_maxNgrains, &
homogenization_Ngrains,&
@ -278,18 +283,16 @@ subroutine homogenization_RGC_partitionDeformation(F,avgF,ip,el)
!--------------------------------------------------------------------------------------------------
! compute the deformation gradient of individual grains due to relaxations
instance = homogenization_typeInstance(mesh_element(3,el))
instance = homogenization_typeInstance(mesh_homogenizationAt(el))
F = 0.0_pReal
do iGrain = 1_pInt,homogenization_Ngrains(mesh_element(3,el))
do iGrain = 1_pInt,homogenization_Ngrains(mesh_homogenizationAt(el))
iGrain3 = grain1to3(iGrain,instance)
do iFace = 1_pInt,nFace
intFace = getInterface(iFace,iGrain3) ! identifying 6 interfaces of each grain
aVect = relaxationVector(intFace,instance, ip, el) ! get the relaxation vectors for each interface from global relaxation vector array
nVect = interfaceNormal(intFace,ip,el) ! get the normal of each interface
forall (i=1_pInt:3_pInt,j=1_pInt:3_pInt) &
F(i,j,iGrain) = F(i,j,iGrain) + aVect(i)*nVect(j) ! calculating deformation relaxations due to interface relaxation
F(i,j,iGrain) = F(i,j,iGrain) + aVect(i)*nVect(j) ! calculating deformation relaxations due to interface relaxation
enddo
F(1:3,1:3,iGrain) = F(1:3,1:3,iGrain) + avgF ! resulting relaxed deformation gradient
@ -327,7 +330,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
use math, only: &
math_invert
use mesh, only: &
mesh_element
mesh_homogenizationAt
use material, only: &
homogenization_maxNgrains, &
homogenization_typeInstance, &
@ -380,9 +383,9 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
!--------------------------------------------------------------------------------------------------
! get the dimension of the cluster (grains and interfaces)
instance = homogenization_typeInstance(mesh_element(3,el))
instance = homogenization_typeInstance(mesh_homogenizationAt(el))
nGDim = param(instance)%Nconstituents
nGrain = homogenization_Ngrains(mesh_element(3,el))
nGrain = homogenization_Ngrains(mesh_homogenizationAt(el))
nIntFaceTot = (nGDim(1)-1_pInt)*nGDim(2)*nGDim(3) + nGDim(1)*(nGDim(2)-1_pInt)*nGDim(3) &
+ nGDim(1)*nGDim(2)*(nGDim(3)-1_pInt)
@ -426,8 +429,8 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
write(6,'(/,1x,a30,1x,i3)')'Stress and penalties of grain: ',iGrain
do i = 1_pInt,3_pInt
write(6,'(1x,3(e15.8,1x),1x,3(e15.8,1x),1x,3(e15.8,1x))')(P(i,j,iGrain), j = 1_pInt,3_pInt), &
(R(i,j,iGrain), j = 1_pInt,3_pInt), &
(D(i,j,iGrain), j = 1_pInt,3_pInt)
(R(i,j,iGrain), j = 1_pInt,3_pInt), &
(D(i,j,iGrain), j = 1_pInt,3_pInt)
enddo
write(6,*)' '
enddo
@ -518,7 +521,7 @@ 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
constitutiveWork = homogState(mappingHomogenization(2,ip,el))%state(3*nIntFaceTot+1,mappingHomogenization(1,ip,el))
penaltyEnergy = homogState(mappingHomogenization(2,ip,el))%state(3*nIntFaceTot+5,mappingHomogenization(1,ip,el))
do iGrain = 1_pInt,homogenization_Ngrains(mesh_element(3,el)) ! time-integration loop for the calculating the work and energy
do iGrain = 1_pInt,homogenization_Ngrains(mesh_homogenizationAt(el)) ! time-integration loop for the calculating the work and energy
do i = 1_pInt,3_pInt
do j = 1_pInt,3_pInt
constitutiveWork = constitutiveWork + P(i,j,iGrain)*(F(i,j,iGrain) - F0(i,j,iGrain))/real(nGrain,pReal)
@ -559,7 +562,6 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
!$OMP END CRITICAL (write2out)
endif
deallocate(tract,resid,relax,drelax)
return
!--------------------------------------------------------------------------------------------------
@ -575,7 +577,6 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
!$OMP END CRITICAL (write2out)
endif
deallocate(tract,resid,relax,drelax)
return
else ! proceed with computing the Jacobian and state update
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt &
@ -796,8 +797,6 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
flush(6)
!$OMP END CRITICAL (write2out)
endif
deallocate(tract,resid,jmatrix,jnverse,relax,drelax,pmatrix,smatrix,p_relax,p_resid)
end function homogenization_RGC_updateState
@ -810,7 +809,8 @@ subroutine homogenization_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,
debug_level, &
debug_homogenization,&
debug_levelExtensive
use mesh, only: mesh_element
use mesh, only: &
mesh_homogenizationAt
use material, only: &
homogenization_maxNgrains, &
homogenization_typeInstance
@ -826,7 +826,7 @@ subroutine homogenization_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,
integer(pInt) :: instance, i, j, Nconstituents, iGrain
instance = homogenization_typeInstance(mesh_element(3,el))
instance = homogenization_typeInstance(mesh_homogenizationAt(el))
Nconstituents = sum(param(instance)%Nconstituents)
!--------------------------------------------------------------------------------------------------
@ -856,10 +856,9 @@ end subroutine homogenization_RGC_averageStressAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief return array of homogenization results for post file inclusion
!--------------------------------------------------------------------------------------------------
pure function homogenization_RGC_postResults(ip,el,avgP,avgF) result(postResults)
pure function homogenization_RGC_postResults(ip,el) result(postResults)
use mesh, only: &
mesh_element, &
mesh_ipCoordinates
mesh_homogenizationAt
use material, only: &
homogenization_typeInstance,&
homogState, &
@ -870,16 +869,13 @@ pure function homogenization_RGC_postResults(ip,el,avgP,avgF) result(postResults
integer(pInt), intent(in) :: &
ip, & !< integration point number
el !< element number
real(pReal), dimension(3,3), intent(in) :: &
avgP, & !< average stress at material point
avgF !< average deformation gradient at material point
integer(pInt) instance,o,c,nIntFaceTot
type(tParameters) :: prm
real(pReal), dimension(homogenization_RGC_sizePostResults(homogenization_typeInstance(mesh_element(3,el)))) :: &
real(pReal), dimension(homogenization_RGC_sizePostResults(homogenization_typeInstance(mesh_homogenizationAt(el)))) :: &
postResults
instance = homogenization_typeInstance(mesh_element(3,el))
instance = homogenization_typeInstance(mesh_homogenizationAt(el))
associate(prm => param(instance))
nIntFaceTot=(prm%Nconstituents(1)-1_pInt)*prm%Nconstituents(2)* prm%Nconstituents(3)&
+ prm%Nconstituents(1)* (prm%Nconstituents(2)-1_pInt)*prm%Nconstituents(3)&
@ -934,7 +930,7 @@ subroutine stressPenalty(rPen,nMis,avgF,fDef,ip,el,instance)
debug_e, &
debug_i
use mesh, only: &
mesh_element
mesh_homogenizationAt
use constitutive, only: &
constitutive_homogenizedC
use math, only: &
@ -985,7 +981,7 @@ subroutine stressPenalty(rPen,nMis,avgF,fDef,ip,el,instance)
!--------------------------------------------------------------------------------------------------
! computing the mismatch and penalty stress tensor of all grains
do iGrain = 1_pInt,homogenization_Ngrains(mesh_element(3,el))
do iGrain = 1_pInt,homogenization_Ngrains(mesh_homogenizationAt(el))
Gmoduli = equivalentModuli(iGrain,ip,el)
muGrain = Gmoduli(1) ! collecting the equivalent shear modulus of grain
bgGrain = Gmoduli(2) ! and the lengthh of Burgers vector
@ -1077,7 +1073,7 @@ subroutine volumePenalty(vPen,vDiscrep,fDef,fAvg,ip,el)
debug_e, &
debug_i
use mesh, only: &
mesh_element
mesh_homogenizationAt
use math, only: &
math_det33, &
math_inv33
@ -1099,7 +1095,7 @@ subroutine volumePenalty(vPen,vDiscrep,fDef,fAvg,ip,el)
real(pReal), dimension (homogenization_maxNgrains) :: gVol
integer(pInt) :: iGrain,nGrain,i,j
nGrain = homogenization_Ngrains(mesh_element(3,el))
nGrain = homogenization_Ngrains(mesh_homogenizationAt(el))
!--------------------------------------------------------------------------------------------------
! compute the volumes of grains and of cluster
@ -1228,7 +1224,7 @@ function relaxationVector(intFace,instance, ip, el)
!--------------------------------------------------------------------------------------------------
! collect the interface relaxation vector from the global state array
relaxationVector = 0.0_pReal
nGDim = homogenization_RGC_Ngrains(1:3,instance)
nGDim = param(instance)%Nconstituents
iNum = interface4to1(intFace,instance) ! identify the position of the interface in global state array
if (iNum > 0_pInt) relaxationVector = homogState(mappingHomogenization(2,ip,el))% &
state((3*iNum-2):(3*iNum),mappingHomogenization(1,ip,el)) ! get the corresponding entries
@ -1351,15 +1347,15 @@ integer(pInt) pure function interface4to1(iFace4D, instance)
! get the corresponding interface ID in 1D global array
if (abs(iFace4D(1)) == 1_pInt) then ! interface with normal //e1
interface4to1 = iFace4D(3) + nGDim(2)*(iFace4D(4)-1_pInt) &
+ nGDim(2)*nGDim(3)*(iFace4D(2)-1_pInt)
+ nGDim(2)*nGDim(3)*(iFace4D(2)-1_pInt)
if ((iFace4D(2) == 0_pInt) .or. (iFace4D(2) == nGDim(1))) interface4to1 = 0_pInt
elseif (abs(iFace4D(1)) == 2_pInt) then ! interface with normal //e2
interface4to1 = iFace4D(4) + nGDim(3)*(iFace4D(2)-1_pInt) &
+ nGDim(3)*nGDim(1)*(iFace4D(3)-1_pInt) + nIntFace(1)
+ nGDim(3)*nGDim(1)*(iFace4D(3)-1_pInt) + nIntFace(1)
if ((iFace4D(3) == 0_pInt) .or. (iFace4D(3) == nGDim(2))) interface4to1 = 0_pInt
elseif (abs(iFace4D(1)) == 3_pInt) then ! interface with normal //e3
interface4to1 = iFace4D(2) + nGDim(1)*(iFace4D(3)-1_pInt) &
+ nGDim(1)*nGDim(2)*(iFace4D(4)-1_pInt) + nIntFace(1) + nIntFace(2)
+ nGDim(1)*nGDim(2)*(iFace4D(4)-1_pInt) + nIntFace(1) + nIntFace(2)
if ((iFace4D(4) == 0_pInt) .or. (iFace4D(4) == nGDim(3))) interface4to1 = 0_pInt
endif
@ -1440,10 +1436,9 @@ end function interface1to4
!--------------------------------------------------------------------------------------------------
subroutine grainDeformation(F, avgF, ip, el)
use mesh, only: &
mesh_element
mesh_homogenizationAt
use material, only: &
homogenization_maxNgrains,&
homogenization_Ngrains, &
homogenization_typeInstance
implicit none
@ -1456,15 +1451,14 @@ subroutine grainDeformation(F, avgF, ip, el)
integer(pInt), dimension (4) :: intFace
integer(pInt), dimension (3) :: iGrain3
integer(pInt) :: instance, iGrain,iFace,i,j
integer(pInt), parameter :: nFace = 6_pInt
!--------------------------------------------------------------------------------------------------
! compute the deformation gradient of individual grains due to relaxations
instance = homogenization_typeInstance(mesh_element(3,el))
instance = homogenization_typeInstance(mesh_homogenizationAt(el))
F = 0.0_pReal
do iGrain = 1_pInt,sum(param(instance)%Nconstituents)
iGrain3 = grain1to3(iGrain,instance)
do iFace = 1_pInt,nFace
do iFace = 1_pInt,6_pInt
intFace = getInterface(iFace,iGrain3)
aVect = relaxationVector(intFace,instance, ip, el)
nVect = interfaceNormal(intFace,ip,el)