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simplified

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Martin Diehl 2018-11-04 08:11:35 +01:00
parent ff2b693f1e
commit 78f4d4c5ee
1 changed files with 31 additions and 35 deletions
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src/homogenization_RGC.f90
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@ -282,7 +282,7 @@ subroutine homogenization_RGC_partitionDeformation(F,avgF,instance,of)
associate(prm => param(instance)) associate(prm => param(instance))
F = 0.0_pReal F = 0.0_pReal
do iGrain = 1_pInt,product(prm%Nconstituents) do iGrain = 1_pInt,product(prm%Nconstituents)
iGrain3 = grain1to3(iGrain,instance) iGrain3 = grain1to3(iGrain,prm%Nconstituents)
do iFace = 1_pInt,6_pInt do iFace = 1_pInt,6_pInt
intFace = getInterface(iFace,iGrain3) ! identifying 6 interfaces of each grain intFace = getInterface(iFace,iGrain3) ! identifying 6 interfaces of each grain
aVect = relaxationVector(intFace,instance,of) ! get the relaxation vectors for each interface from global relaxation vector array aVect = relaxationVector(intFace,instance,of) ! get the relaxation vectors for each interface from global relaxation vector array
@ -434,12 +434,12 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
!------------------------------------------------------------------------------------------------ !------------------------------------------------------------------------------------------------
! computing the residual stress from the balance of traction at all (interior) interfaces ! computing the residual stress from the balance of traction at all (interior) interfaces
do iNum = 1_pInt,nIntFaceTot do iNum = 1_pInt,nIntFaceTot
faceID = interface1to4(iNum,instance) ! identifying the interface ID in local coordinate system (4-dimensional index) faceID = interface1to4(iNum,param(instance)%Nconstituents) ! identifying the interface ID in local coordinate system (4-dimensional index)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! identify the left/bottom/back grain (-|N) ! identify the left/bottom/back grain (-|N)
iGr3N = faceID(2:4) ! identifying the grain ID in local coordinate system (3-dimensional index) iGr3N = faceID(2:4) ! identifying the grain ID in local coordinate system (3-dimensional index)
iGrN = grain3to1(iGr3N,instance) ! translate the local grain ID into global coordinate system (1-dimensional index) iGrN = grain3to1(iGr3N,param(instance)%Nconstituents) ! translate the local grain ID into global coordinate system (1-dimensional index)
intFaceN = getInterface(2_pInt*faceID(1),iGr3N) intFaceN = getInterface(2_pInt*faceID(1),iGr3N)
normN = interfaceNormal(intFaceN,instance,of) normN = interfaceNormal(intFaceN,instance,of)
@ -447,7 +447,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
! identify the right/up/front grain (+|P) ! identify the right/up/front grain (+|P)
iGr3P = iGr3N iGr3P = iGr3N
iGr3P(faceID(1)) = iGr3N(faceID(1))+1_pInt ! identifying the grain ID in local coordinate system (3-dimensional index) iGr3P(faceID(1)) = iGr3N(faceID(1))+1_pInt ! identifying the grain ID in local coordinate system (3-dimensional index)
iGrP = grain3to1(iGr3P,instance) ! translate the local grain ID into global coordinate system (1-dimensional index) iGrP = grain3to1(iGr3P,param(instance)%Nconstituents) ! translate the local grain ID into global coordinate system (1-dimensional index)
intFaceP = getInterface(2_pInt*faceID(1)-1_pInt,iGr3P) intFaceP = getInterface(2_pInt*faceID(1)-1_pInt,iGr3P)
normP = interfaceNormal(intFaceP,instance,of) normP = interfaceNormal(intFaceP,instance,of)
@ -577,12 +577,12 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
! ... of the constitutive stress tangent, assembled from dPdF or material constitutive model "smatrix" ! ... of the constitutive stress tangent, assembled from dPdF or material constitutive model "smatrix"
allocate(smatrix(3*nIntFaceTot,3*nIntFaceTot), source=0.0_pReal) allocate(smatrix(3*nIntFaceTot,3*nIntFaceTot), source=0.0_pReal)
do iNum = 1_pInt,nIntFaceTot do iNum = 1_pInt,nIntFaceTot
faceID = interface1to4(iNum,instance) ! assembling of local dPdF into global Jacobian matrix faceID = interface1to4(iNum,param(instance)%Nconstituents) ! assembling of local dPdF into global Jacobian matrix
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! identify the left/bottom/back grain (-|N) ! identify the left/bottom/back grain (-|N)
iGr3N = faceID(2:4) ! identifying the grain ID in local coordinate sytem iGr3N = faceID(2:4) ! identifying the grain ID in local coordinate sytem
iGrN = grain3to1(iGr3N,instance) ! translate into global grain ID iGrN = grain3to1(iGr3N,param(instance)%Nconstituents) ! translate into global grain ID
intFaceN = getInterface(2_pInt*faceID(1),iGr3N) ! identifying the connecting interface in local coordinate system intFaceN = getInterface(2_pInt*faceID(1),iGr3N) ! identifying the connecting interface in local coordinate system
normN = interfaceNormal(intFaceN,instance,of) normN = interfaceNormal(intFaceN,instance,of)
do iFace = 1_pInt,6_pInt do iFace = 1_pInt,6_pInt
@ -603,7 +603,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
! identify the right/up/front grain (+|P) ! identify the right/up/front grain (+|P)
iGr3P = iGr3N iGr3P = iGr3N
iGr3P(faceID(1)) = iGr3N(faceID(1))+1_pInt ! identifying the grain ID in local coordinate sytem iGr3P(faceID(1)) = iGr3N(faceID(1))+1_pInt ! identifying the grain ID in local coordinate sytem
iGrP = grain3to1(iGr3P,instance) ! translate into global grain ID iGrP = grain3to1(iGr3P,param(instance)%Nconstituents) ! translate into global grain ID
intFaceP = getInterface(2_pInt*faceID(1)-1_pInt,iGr3P) ! identifying the connecting interface in local coordinate system intFaceP = getInterface(2_pInt*faceID(1)-1_pInt,iGr3P) ! identifying the connecting interface in local coordinate system
normP = interfaceNormal(intFaceP,instance,of) normP = interfaceNormal(intFaceP,instance,of)
do iFace = 1_pInt,6_pInt do iFace = 1_pInt,6_pInt
@ -649,12 +649,12 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
! computing the global stress residual array from the perturbed state ! computing the global stress residual array from the perturbed state
p_resid = 0.0_pReal p_resid = 0.0_pReal
do iNum = 1_pInt,nIntFaceTot do iNum = 1_pInt,nIntFaceTot
faceID = interface1to4(iNum,instance) ! identifying the interface ID in local coordinate system (4-dimensional index) faceID = interface1to4(iNum,param(instance)%Nconstituents) ! identifying the interface ID in local coordinate system (4-dimensional index)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! identify the left/bottom/back grain (-|N) ! identify the left/bottom/back grain (-|N)
iGr3N = faceID(2:4) ! identifying the grain ID in local coordinate system (3-dimensional index) iGr3N = faceID(2:4) ! identifying the grain ID in local coordinate system (3-dimensional index)
iGrN = grain3to1(iGr3N,instance) ! translate the local grain ID into global coordinate system (1-dimensional index) iGrN = grain3to1(iGr3N,param(instance)%Nconstituents) ! translate the local grain ID into global coordinate system (1-dimensional index)
intFaceN = getInterface(2_pInt*faceID(1),iGr3N) ! identifying the interface ID of the grain intFaceN = getInterface(2_pInt*faceID(1),iGr3N) ! identifying the interface ID of the grain
normN = interfaceNormal(intFaceN,instance,of) normN = interfaceNormal(intFaceN,instance,of)
@ -662,7 +662,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
! identify the right/up/front grain (+|P) ! identify the right/up/front grain (+|P)
iGr3P = iGr3N iGr3P = iGr3N
iGr3P(faceID(1)) = iGr3N(faceID(1))+1_pInt ! identifying the grain ID in local coordinate system (3-dimensional index) iGr3P(faceID(1)) = iGr3N(faceID(1))+1_pInt ! identifying the grain ID in local coordinate system (3-dimensional index)
iGrP = grain3to1(iGr3P,instance) ! translate the local grain ID into global coordinate system (1-dimensional index) iGrP = grain3to1(iGr3P,param(instance)%Nconstituents) ! translate the local grain ID into global coordinate system (1-dimensional index)
intFaceP = getInterface(2_pInt*faceID(1)-1_pInt,iGr3P) ! identifying the interface ID of the grain intFaceP = getInterface(2_pInt*faceID(1)-1_pInt,iGr3P) ! identifying the interface ID of the grain
normP = interfaceNormal(intFaceP,instance,of) normP = interfaceNormal(intFaceP,instance,of)
@ -845,7 +845,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
Gmoduli = equivalentModuli(iGrain,ip,el) Gmoduli = equivalentModuli(iGrain,ip,el)
muGrain = Gmoduli(1) ! collecting the equivalent shear modulus of grain muGrain = Gmoduli(1) ! collecting the equivalent shear modulus of grain
bgGrain = Gmoduli(2) ! and the lengthh of Burgers vector bgGrain = Gmoduli(2) ! and the lengthh of Burgers vector
iGrain3 = grain1to3(iGrain,instance) ! get the grain ID in local 3-dimensional index (x,y,z)-position iGrain3 = grain1to3(iGrain,prm%Nconstituents) ! get the grain ID in local 3-dimensional index (x,y,z)-position
!* Looping over all six interfaces of each grain !* Looping over all six interfaces of each grain
do iFace = 1_pInt,6_pInt do iFace = 1_pInt,6_pInt
@ -856,7 +856,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
+ int(real(intFace(1),pReal)/real(abs(intFace(1)),pReal),pInt) + int(real(intFace(1),pReal)/real(abs(intFace(1)),pReal),pInt)
where(iGNghb3 < 1) iGNghb3 = nGDim where(iGNghb3 < 1) iGNghb3 = nGDim
where(iGNghb3 >nGDim) iGNghb3 = 1_pInt where(iGNghb3 >nGDim) iGNghb3 = 1_pInt
iGNghb = grain3to1(iGNghb3,instance) ! get the ID of the neighboring grain iGNghb = grain3to1(iGNghb3,prm%Nconstituents) ! get the ID of the neighboring grain
Gmoduli = equivalentModuli(iGNghb,ip,el) ! collecting the shear modulus and Burgers vector of the neighbor Gmoduli = equivalentModuli(iGNghb,ip,el) ! collecting the shear modulus and Burgers vector of the neighbor
muGNghb = Gmoduli(1) muGNghb = Gmoduli(1)
bgGNghb = Gmoduli(2) bgGNghb = Gmoduli(2)
@ -1013,12 +1013,12 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
constitutive_homogenizedC constitutive_homogenizedC
implicit none implicit none
real(pReal), dimension(2) :: equivalentModuli
integer(pInt), intent(in) :: & integer(pInt), intent(in) :: &
grainID,& grainID,&
ip, & !< integration point number ip, & !< integration point number
el !< element number el !< element number
real(pReal), dimension (6,6) :: elasTens real(pReal), dimension(6,6) :: elasTens
real(pReal), dimension(2) :: equivalentModuli
real(pReal) :: & real(pReal) :: &
cEquiv_11, & cEquiv_11, &
cEquiv_12, & cEquiv_12, &
@ -1064,7 +1064,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
! compute the deformation gradient of individual grains due to relaxations ! compute the deformation gradient of individual grains due to relaxations
F = 0.0_pReal F = 0.0_pReal
do iGrain = 1_pInt,product(param(instance)%Nconstituents) do iGrain = 1_pInt,product(param(instance)%Nconstituents)
iGrain3 = grain1to3(iGrain,instance) iGrain3 = grain1to3(iGrain,param(instance)%Nconstituents)
do iFace = 1_pInt,6_pInt do iFace = 1_pInt,6_pInt
intFace = getInterface(iFace,iGrain3) intFace = getInterface(iFace,iGrain3)
aVect = relaxationVector(intFace,instance,of) aVect = relaxationVector(intFace,instance,of)
@ -1222,19 +1222,17 @@ pure function getInterface(iFace,iGrain3)
end function getInterface end function getInterface
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief map grain ID from in 1D (global array) to in 3D (local position) !> @brief map grain ID from in 1D (global array) to in 3D (local position)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function grain1to3(grain1,instance) pure function grain1to3(grain1,nGDim)
implicit none implicit none
integer(pInt), dimension (3) :: grain1to3 integer(pInt), dimension(3) :: grain1to3
integer(pInt), intent(in) :: & integer(pInt), intent(in) :: grain1 !< grain ID in 1D array
grain1,& !< grain ID in 1D array integer(pInt), dimension(3), intent(in) :: nGDim
instance
integer(pInt), dimension (3) :: nGDim
nGDim = param(instance)%Nconstituents
grain1to3 = 1_pInt + [mod((grain1-1_pInt),nGDim(1)), & grain1to3 = 1_pInt + [mod((grain1-1_pInt),nGDim(1)), &
mod((grain1-1_pInt)/nGDim(1),nGDim(2)), & mod((grain1-1_pInt)/nGDim(1),nGDim(2)), &
(grain1-1_pInt)/(nGDim(1)*nGDim(2))] (grain1-1_pInt)/(nGDim(1)*nGDim(2))]
@ -1245,16 +1243,16 @@ end function grain1to3
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief map grain ID from in 3D (local position) to in 1D (global array) !> @brief map grain ID from in 3D (local position) to in 1D (global array)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function grain3to1(grain3,instance) pure function grain3to1(grain3,nGDim)
implicit none implicit none
integer(pInt), dimension (3), intent(in) :: grain3 !< grain ID in 3D array (pos.x,pos.y,pos.z) integer(pInt) :: grain3to1
integer(pInt), intent(in) :: instance ! homogenization ID integer(pInt), dimension(3), intent(in) :: grain3 !< grain ID in 3D array (pos.x,pos.y,pos.z)
integer(pInt) :: grain3to1 integer(pInt), dimension(3), intent(in) :: nGDim
integer(pInt), dimension (3) :: nGDim
nGDim = param(instance)%Nconstituents grain3to1 = grain3(1) &
grain3to1 = grain3(1) + nGDim(1)*(grain3(2)-1_pInt) + nGDim(1)*nGDim(2)*(grain3(3)-1_pInt) + nGDim(1)*(grain3(2)-1_pInt) &
+ nGDim(1)*nGDim(2)*(grain3(3)-1_pInt)
end function grain3to1 end function grain3to1
@ -1295,15 +1293,13 @@ end function interface4to1
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief maps interface ID from 1D (global array) into 4D (normal and local position) !> @brief maps interface ID from 1D (global array) into 4D (normal and local position)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function interface1to4(iFace1D, instance) pure function interface1to4(iFace1D, nGDim)
implicit none implicit none
integer(pInt), dimension (4) :: interface1to4 integer(pInt), dimension(4) :: interface1to4
integer(pInt), intent(in) :: iFace1D !< interface ID in 1D array integer(pInt), intent(in) :: iFace1D !< interface ID in 1D array
integer(pInt), intent(in) :: instance integer(pInt), dimension(3), intent(in) :: nGDim
integer(pInt), dimension (3) :: nGDim,nIntFace integer(pInt), dimension (3) :: nIntFace
nGDim = param(instance)%Nconstituents
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! compute the total number of interfaces, which ... ! compute the total number of interfaces, which ...