homogenization_RGC.f90: adding comments to improve clarity
This commit is contained in:
Denny Tjahjanto
parent
2aae7b7574
commit
86211bf0ce
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@ -147,7 +147,7 @@ function homogenization_RGC_stateInit(myInstance)
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integer(pInt), intent(in) :: myInstance
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real(pReal), dimension(homogenization_RGC_sizeState(myInstance)) :: homogenization_RGC_stateInit
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!* Open a debugging file
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!* Open a debugging file << not used at the moment >>
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! open(1978,file='homogenization_RGC_debugging.out')
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homogenization_RGC_stateInit = 0.0_pReal
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@ -188,7 +188,6 @@ subroutine homogenization_RGC_partitionDeformation(&
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integer(pInt), parameter :: nFace = 6
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homID = homogenization_typeInstance(mesh_element(3,el))
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F = 0.0_pReal
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!* Debugging the overall deformation gradient
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! if (ip == 1 .and. el == 1) then
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@ -197,7 +196,8 @@ subroutine homogenization_RGC_partitionDeformation(&
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! write(1978,'(x,3(e10.4,x))')(avgF(i,j), j = 1,3)
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! enddo
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! endif
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!*
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!* Compute the deformation gradient of individual grains due to relaxations
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do iGrain = 1,homogenization_Ngrains(mesh_element(3,el))
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call homogenization_RGC_grain1to3(iGrain3,iGrain,homID)
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do iFace = 1,nFace
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@ -208,18 +208,11 @@ subroutine homogenization_RGC_partitionDeformation(&
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! write(1978,'(x,a32,x,i3)')'Relaxation vector of interface: ',iFace
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! write(1978,'(x,3(e10.4,x))')(aVect(j), j = 1,3)
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! endif
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!*
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call homogenization_RGC_interfaceNormal(nVect,intFace)
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!* Debugging the grain relaxation vectors
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! if (ip == 1 .and. el == 1) then
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! write(1978,'(x,a32,x,i3)')'Interface normal of interface: ',iFace
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! write(1978,'(x,3(e10.4,x))')(nVect(j), j = 1,3)
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! endif
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!*
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forall (i=1:3,j=1:3) &
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F(i,j,iGrain) = F(i,j,iGrain) + aVect(i)*nVect(j) ! Compute the deformation relaxation
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F(i,j,iGrain) = F(i,j,iGrain) + aVect(i)*nVect(j) ! effective relaxations
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enddo
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F(:,:,iGrain) = F(:,:,iGrain) + avgF(:,:) ! Compute the relaxed deformation
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F(:,:,iGrain) = F(:,:,iGrain) + avgF(:,:) ! relaxed deformation gradient
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!* Debugging the grain deformation gradients
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! if (ip == 1 .and. el == 1) then
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! write(1978,'(x,a32,x,i3)')'Deformation gradient of grain: ',iGrain
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@ -227,7 +220,6 @@ subroutine homogenization_RGC_partitionDeformation(&
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! write(1978,'(x,3(e10.4,x))')(F(i,j,iGrain), j = 1,3)
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! enddo
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! endif
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!*
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enddo
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return
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@ -263,8 +255,7 @@ function homogenization_RGC_updateState(&
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real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: P,F,F0
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real(pReal), dimension (3,3,3,3,homogenization_maxNgrains), intent(in) :: dPdF
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real(pReal), dimension (3,3), intent(in) :: avgF
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integer(pInt), intent(in) :: ip,el
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!
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integer(pInt), intent(in) :: ip,el
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logical, dimension(2) :: homogenization_RGC_updateState
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integer(pInt), dimension (4) :: intFaceN,intFaceP,faceID
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integer(pInt), dimension (3) :: nGDim,iGr3N,iGr3P,stresLoc
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@ -281,11 +272,13 @@ function homogenization_RGC_updateState(&
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real(pReal), dimension(:,:), allocatable :: tract,jmatrix,jnverse,smatrix,pmatrix
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real(pReal), dimension(:), allocatable :: resid,relax,p_relax,p_resid
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!* Get the dimension of the cluster (grains and interfaces)
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homID = homogenization_typeInstance(mesh_element(3,el))
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nGDim = homogenization_RGC_Ngrains(:,homID)
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nIntFaceTot = (nGDim(1)-1)*nGDim(2)*nGDim(3) + nGDim(1)*(nGDim(2)-1)*nGDim(3) &
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+ nGDim(1)*nGDim(2)*(nGDim(3)-1)
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!* Allocate the size of the arrays/matrices depending on the size of the cluster
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allocate(resid(3*nIntFaceTot)); resid = 0.0_pReal
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allocate(tract(nIntFaceTot,3)); tract = 0.0_pReal
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allocate(relax(3*nIntFaceTot)); relax = state%p(1:3*nIntFaceTot)
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@ -293,21 +286,17 @@ function homogenization_RGC_updateState(&
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!* Stress-like penalty related to mismatch or incompatibility at interfaces
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call homogenization_RGC_stressPenalty(R,NN,F,ip,el,homID)
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!* Compute the residual stress at all (interior) interfaces
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!* Compute the residual stress from the balance of traction at all (interior) interfaces
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do iNum = 1,nIntFaceTot
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call homogenization_RGC_interface1to4(faceID,iNum,homID)
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!* Debugging the interface
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! if (ip == 1 .and. el == 1) then
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! write(1978,'(x,a20,x,i3)')'Interface ID: ',iNum
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! write(1978,'(x,4(i4,x))')(faceID(j), j = 1,4)
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! endif
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!*
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iGr3N = faceID(2:4) ! get the grain (-|N)
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!* Identify the left/bottom/back grain (-|N)
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iGr3N = faceID(2:4)
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call homogenization_RGC_grain3to1(iGrN,iGr3N,homID)
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call homogenization_RGC_getInterface(intFaceN,2*faceID(1),iGr3N)
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call homogenization_RGC_interfaceNormal(normN,intFaceN) ! get the interface normal
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!* Identify the right/up/front grain (+|P)
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iGr3P = iGr3N
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iGr3P(faceID(1)) = iGr3N(faceID(1))+1 ! get the grain (+|P)
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iGr3P(faceID(1)) = iGr3N(faceID(1))+1
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call homogenization_RGC_grain3to1(iGrP,iGr3P,homID)
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call homogenization_RGC_getInterface(intFaceP,2*faceID(1)-1,iGr3P)
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call homogenization_RGC_interfaceNormal(normP,intFaceP) ! get the interface normal
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@ -318,12 +307,11 @@ function homogenization_RGC_updateState(&
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! write(1978,'(x,3(e10.4,x),x,3(e10.4,x))')(P(i,j,iGrN(iNum)), j = 1,3),(P(i,j,iGrP(iNum)), j = 1,3)
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! enddo
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! endif
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!*
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do i = 1,3 ! compute the traction at interface
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do i = 1,3 ! compute the traction balance at the interface
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do j = 1,3
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tract(iNum,i) = tract(iNum,i) + (P(i,j,iGrP) + R(i,j,iGrP))*normP(j) &
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+ (P(i,j,iGrN) + R(i,j,iGrN))*normN(j)
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resid(i+3*(iNum-1)) = tract(iNum,i) ! copy traction into 1D residual array
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resid(i+3*(iNum-1)) = tract(iNum,i) ! map into 1D residual array
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enddo
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enddo
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!* Debugging the residual stress
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@ -331,14 +319,14 @@ function homogenization_RGC_updateState(&
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! write(1978,'(x,a30,x,i3)')'Traction difference: ',iNum
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! write(1978,'(x,3(e10.4,x))')(tract(iNum,j), j = 1,3)
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! endif
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!*
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enddo
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!* Convergence check for residual stress
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!* Convergence check for stress residual
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stresMax = maxval(P)
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stresLoc = maxloc(P)
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residMax = maxval(tract)
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residLoc = maxloc(tract)
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!* Temporary debugging statement << not used at the moment >>
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! if (ip == 1 .and. el == 1) then
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! write(1978,'(x,a)')' '
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! write(1978,'(x,a)')'Residual check ...'
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@ -346,16 +334,20 @@ function homogenization_RGC_updateState(&
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! '@ grain',stresLoc(3),'in component',stresLoc(1),stresLoc(2)
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! write(1978,'(x,a15,x,e10.4,x,a7,i3,x,a12,i2)')'Max residual: ',residMax, &
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! '@ iface',residLoc(1),'in direction',residLoc(2)
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! endif
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endif
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homogenization_RGC_updateState = .false.
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if (residMax < relTol_RGC*stresMax .or. residMax < absTol_RGC) then ! convergence reached (done and happy)
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!* If convergence reached => done and happy
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if (residMax < relTol_RGC*stresMax .or. residMax < absTol_RGC) then
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homogenization_RGC_updateState = .true.
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! if (ip == 1 .and. el == 1) then
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!* Temporary debugging statement << not used at the moment >>
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! if (ip == 1 .and. el == 1) then
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! write(1978,'(x,a55)')'... done and happy'
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! endif
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!* Updating the state for postResult: (bulk) constitutive work, penalty energy, and overall mismatch
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!* Compute/update the state for postResult, i.e., ...
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!* ... the (bulk) constitutive work,
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constitutiveWork = state%p(3*nIntFaceTot+1)
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state%p(3*nIntFaceTot+1) = constitutiveWork
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!* ... the penalty energy, and
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penaltyEnergy = state%p(3*nIntFaceTot+2)
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do iGrain = 1,homogenization_Ngrains(mesh_element(3,el))
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do i = 1,3
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@ -365,68 +357,57 @@ function homogenization_RGC_updateState(&
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enddo
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enddo
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enddo
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state%p(3*nIntFaceTot+1) = constitutiveWork ! the overall constitutive work
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state%p(3*nIntFaceTot+2) = penaltyEnergy ! the overall penalty energy
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state%p(3*nIntFaceTot+3) = sum(NN) ! the overall magnitude of mismatch
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! if (ip == 1 .and. el == 1) then
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! write(1978,'(x,a25,x,e10.4)')'constitutivework: ',state%p(3*nIntFaceTot+1)
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! write(1978,'(x,a25,x,e10.4)')'penaltyenergy: ',state%p(3*nIntFaceTot+2)
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! write(1978,'(x,a25,x,e10.4)')'magnitudemismatch: ',state%p(3*nIntFaceTot+3)
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! endif
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!*
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state%p(3*nIntFaceTot+2) = penaltyEnergy
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!* ... the overall mismatch
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state%p(3*nIntFaceTot+3) = sum(NN)
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deallocate(tract,resid,relax)
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return
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elseif (residMax > relMax_RGC*stresMax .or. residMax > absMax_RGC) then ! residual blows-up (done but unhappy)
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return
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!* If residual blows-up => done but unhappy
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elseif (residMax > relMax_RGC*stresMax .or. residMax > absMax_RGC) then
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homogenization_RGC_updateState(1) = .true.
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!* Temporary debugging statement << not used at the moment >>
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! if (ip == 1 .and. el == 1) then
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! write(1978,'(x,a55)')'... done but not happy'
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! endif
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deallocate(tract,resid,relax)
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return
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!* Otherwise, proceed with computing the state update
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else
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!* Temporary debugging statement << not used at the moment >>
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! if (ip == 1 .and. el == 1) then
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! write(1978,'(x,a55)')'... not done'
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! endif
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endif
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! if (ip == 1 .and. el == 1) then
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! write(1978,'(x,a55)')'... not done'
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! endif
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!* Construct the Jacobian matrix of stress from the grains tangent
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!* Construct the Jacobian matrix of the constitutive stress tangent from dPdF
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allocate(smatrix(3*nIntFaceTot,3*nIntFaceTot)); smatrix = 0.0_pReal
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!* Debugging the grains tangent
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! if (ip == 1 .and. el == 1) then
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! do i1 = 1,nGDim(1)*nGDim(2)*nGDim(3)
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! write(1978,'(x,a20,x,i3)')'Tangent of grain: ',i1
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! do i = 1,3
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! do k = 1,3
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! write(1978,'(x,9(e10.4,x))')((dPdF(i,j,k,l,i1), j = 1,3), l = 1,3)
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! enddo
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! enddo
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! enddo
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! endif
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!*
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do iNum = 1,nIntFaceTot
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call homogenization_RGC_interface1to4(faceID,iNum,homID)
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iGr3N = faceID(2:4) ! get the grain (-|N)
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!* Identify the left/bottom/back grain (-|N)
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iGr3N = faceID(2:4)
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call homogenization_RGC_grain3to1(iGrN,iGr3N,homID)
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call homogenization_RGC_getInterface(intFaceN,2*faceID(1),iGr3N)
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call homogenization_RGC_interfaceNormal(normN,intFaceN) ! get the interface normal
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do iFace = 1,nFace
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call homogenization_RGC_getInterface(intFaceN,iFace,iGr3N)
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call homogenization_RGC_interfaceNormal(mornN,intFaceN) ! get another interface normal
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call homogenization_RGC_interfaceNormal(mornN,intFaceN) ! get influencing interfaces normal
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call homogenization_RGC_interface4to1(iMun,intFaceN,homID)
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if (iMun .gt. 0) then ! collect the tangent
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if (iMun .gt. 0) then ! get the tangent
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forall(i=1:3,j=1:3,k=1:3,l=1:3) &
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smatrix(3*(iNum-1)+i,3*(iMun-1)+j) = smatrix(3*(iNum-1)+i,3*(iMun-1)+j) + dPdF(i,k,j,l,iGrN)*normN(k)*mornN(l)
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endif
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enddo
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!* Identify the right/up/front grain (+|P)
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iGr3P = iGr3N
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iGr3P(faceID(1)) = iGr3N(faceID(1))+1 ! get the grain (+|P)
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iGr3P(faceID(1)) = iGr3N(faceID(1))+1
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call homogenization_RGC_grain3to1(iGrP,iGr3P,homID)
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call homogenization_RGC_getInterface(intFaceP,2*faceID(1)-1,iGr3P)
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call homogenization_RGC_interfaceNormal(normP,intFaceP) ! get the interface normal
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do iFace = 1,nFace
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call homogenization_RGC_getInterface(intFaceP,iFace,iGr3P)
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call homogenization_RGC_interfaceNormal(mornP,intFaceP) ! get another interface normal
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call homogenization_RGC_interfaceNormal(mornP,intFaceP) ! get influencing interfaces normal
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call homogenization_RGC_interface4to1(iMun,intFaceP,homID)
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if (iMun .gt. 0) then ! collect the tangent
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if (iMun .gt. 0) then ! get the tangent
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forall(i=1:3,j=1:3,k=1:3,l=1:3) &
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smatrix(3*(iNum-1)+i,3*(iMun-1)+j) = smatrix(3*(iNum-1)+i,3*(iMun-1)+j) + dPdF(i,k,j,l,iGrP)*normP(k)*mornP(l)
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endif
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@ -439,15 +420,14 @@ function homogenization_RGC_updateState(&
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! write(1978,'(x,400(e10.4,x))')(smatrix(i,j), j = 1,3*nIntFaceTot)
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! enddo
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! endif
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!*
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!* Compute the Jacobian matrix of the stress-like penalty using perturbation technique
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!* Compute the Jacobian of the stress-like penalty (penalty tangent) using perturbation technique
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allocate(pmatrix(3*nIntFaceTot,3*nIntFaceTot)); pmatrix = 0.0_pReal
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allocate(p_relax(3*nIntFaceTot)); p_relax = 0.0_pReal
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allocate(p_resid(3*nIntFaceTot)); p_resid = 0.0_pReal
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do ipert = 1,3*nIntFaceTot
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p_relax = relax
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p_relax(ipert) = relax(ipert) + pPert_RGC
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p_relax(ipert) = relax(ipert) + pPert_RGC ! perturb the relaxation vector
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state%p(1:3*nIntFaceTot) = p_relax
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!* Debugging the perturbed state
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! if (ip == 1 .and. el == 1) then
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@ -456,22 +436,24 @@ function homogenization_RGC_updateState(&
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! write(1978,'(x,2(e10.4,x))')relax(i),pelax(i)
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! enddo
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! endif
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!*
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call homogenization_RGC_partitionDeformation(pF,F0,avgF,state,ip,el)
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call homogenization_RGC_stressPenalty(pR,pNN,pF,ip,el,homID)
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p_resid = 0.0_pReal
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do iNum = 1,nIntFaceTot
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call homogenization_RGC_interface1to4(faceID,iNum,homID)
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iGr3N = faceID(2:4) ! get the grain (-|N)
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!* Identify the left/bottom/back grain (-|N)
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iGr3N = faceID(2:4)
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call homogenization_RGC_grain3to1(iGrN,iGr3N,homID)
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call homogenization_RGC_getInterface(intFaceN,2*faceID(1),iGr3N)
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call homogenization_RGC_interfaceNormal(normN,intFaceN) ! get the interface normal
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call homogenization_RGC_interfaceNormal(normN,intFaceN) ! get the corresponding normal
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!* Identify the right/up/front grain (+|P)
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iGr3P = iGr3N
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iGr3P(faceID(1)) = iGr3N(faceID(1))+1 ! get the grain (+|P)
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iGr3P(faceID(1)) = iGr3N(faceID(1))+1
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call homogenization_RGC_grain3to1(iGrP,iGr3P,homID)
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call homogenization_RGC_getInterface(intFaceP,2*faceID(1)-1,iGr3P)
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call homogenization_RGC_interfaceNormal(normP,intFaceP) ! get the interface normal
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do i = 1,3 ! compute the traction at interface
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call homogenization_RGC_interfaceNormal(normP,intFaceP) ! get the corresponding normal
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!* Compute the perturbed traction at interface
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do i = 1,3
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do j = 1,3
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p_resid(i+3*(iNum-1)) = p_resid(i+3*(iNum-1)) + (pR(i,j,iGrP) - R(i,j,iGrP))*normP(j) &
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+ (pR(i,j,iGrN) - R(i,j,iGrN))*normN(j)
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@ -487,9 +469,8 @@ function homogenization_RGC_updateState(&
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! write(1978,'(x,400(e10.4,x))')(pmatrix(i,j), j = 1,3*nIntFaceTot)
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! enddo
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! endif
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!*
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!* Calculate the update for the state variable
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!* The overall Jacobian matrix (due to constitutive and penalty tangents)
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allocate(jmatrix(3*nIntFaceTot,3*nIntFaceTot)); jmatrix = smatrix + pmatrix
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allocate(jnverse(3*nIntFaceTot,3*nIntFaceTot)); jnverse = 0.0_pReal
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call math_invert(3*nIntFaceTot,jmatrix,jnverse,ival,error)
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@ -500,7 +481,8 @@ function homogenization_RGC_updateState(&
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! write(1978,'(x,400(e10.4,x))')(jnverse(i,j), j = 1,3*nIntFaceTot)
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! enddo
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! endif
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!*
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||||
|
||||
!* Calculate the state update (i.e., new relaxation vectors)
|
||||
forall(i=1:3*nIntFaceTot,j=1:3*nIntFaceTot) relax(i) = relax(i) - jnverse(i,j)*resid(j)
|
||||
state%p(1:3*nIntFaceTot) = relax
|
||||
!* Debugging the return state
|
||||
|
|
@ -510,7 +492,6 @@ function homogenization_RGC_updateState(&
|
|||
! write(1978,'(x,2(e10.4,x))')state%p(i)
|
||||
! enddo
|
||||
! endif
|
||||
!*
|
||||
|
||||
deallocate(tract,resid,jmatrix,jnverse,relax,pmatrix,smatrix,p_relax,p_resid)
|
||||
return
|
||||
|
|
@ -545,7 +526,7 @@ subroutine homogenization_RGC_averageStressAndItsTangent(&
|
|||
logical homogenization_RGC_stateUpdate
|
||||
integer(pInt) homID, i, Ngrains
|
||||
|
||||
! homID = homogenization_typeInstance(mesh_element(3,el))
|
||||
! homID = homogenization_typeInstance(mesh_element(3,el)) ! <<not required at the moment>>
|
||||
Ngrains = homogenization_Ngrains(mesh_element(3,el))
|
||||
avgP = sum(P,3)/dble(Ngrains)
|
||||
dAvgPdAvgF = sum(dPdF,5)/dble(Ngrains)
|
||||
|
|
@ -574,7 +555,7 @@ function homogenization_RGC_averageTemperature(&
|
|||
real(pReal) homogenization_RGC_averageTemperature
|
||||
integer(pInt) homID, i, Ngrains
|
||||
|
||||
! homID = homogenization_typeInstance(mesh_element(3,el))
|
||||
! homID = homogenization_typeInstance(mesh_element(3,el)) ! <<not required at the moment>>
|
||||
Ngrains = homogenization_Ngrains(mesh_element(3,el))
|
||||
homogenization_RGC_averageTemperature = sum(Temperature(1:Ngrains))/dble(Ngrains)
|
||||
|
||||
|
|
@ -653,15 +634,14 @@ subroutine homogenization_RGC_stressPenalty(&
|
|||
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(out) :: rPen
|
||||
real(pReal), dimension (homogenization_maxNgrains), intent(out) :: nMis
|
||||
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: fDef
|
||||
integer(pInt), intent(in) :: ip,el
|
||||
!
|
||||
integer(pInt), intent(in) :: ip,el
|
||||
integer(pInt), dimension (4) :: intFace
|
||||
integer(pInt), dimension (3) :: iGrain3,iGNghb3,nGDim
|
||||
real(pReal), dimension (3,3) :: gDef,nDef
|
||||
real(pReal), dimension (3) :: nVect
|
||||
integer(pInt) homID,iGrain,iGNghb,iFace,i,j,k,l
|
||||
real(pReal) muGrain,muGNghb,nDefNorm
|
||||
!
|
||||
!
|
||||
integer(pInt), parameter :: nFace = 6
|
||||
real(pReal), parameter :: nDefToler = 1.0e-10
|
||||
|
||||
|
|
@ -669,49 +649,40 @@ subroutine homogenization_RGC_stressPenalty(&
|
|||
|
||||
rPen = 0.0_pReal
|
||||
nMis = 0.0_pReal
|
||||
!* Compute the mismatch tensor at six interfaces of each grain
|
||||
do iGrain = 1,homogenization_Ngrains(mesh_element(3,el))
|
||||
call homogenization_RGC_equivalentShearMod(muGrain,constitutive_homogenizedC(iGrain,ip,el))
|
||||
call homogenization_RGC_grain1to3(iGrain3,iGrain,homID)
|
||||
!* Debugging the center grain
|
||||
! if (ip == 1 .and. el == 1) then
|
||||
! write(1978,'(x,a20,x,i3)')'Center grain: ',iGrain
|
||||
! write(1978,'(x,a10,x,3(i3,x))')'at pos: ',(iGrain3(i), i = 1,3)
|
||||
! endif
|
||||
!*
|
||||
!* Compute the mismatch tensor at all six interfaces
|
||||
do iFace = 1,nFace
|
||||
call homogenization_RGC_getInterface(intFace,iFace,iGrain3)
|
||||
call homogenization_RGC_interfaceNormal(nVect,intFace) ! get the interface normal
|
||||
iGNghb3 = iGrain3 !
|
||||
iGNghb3 = iGrain3 ! identify the grain neighbor
|
||||
iGNghb3(abs(intFace(1))) = iGNghb3(abs(intFace(1))) + int(dble(intFace(1))/dble(abs(intFace(1))))
|
||||
if (iGNghb3(1) < 1) iGNghb3(1) = nGDim(1) ! grain periodicity
|
||||
!* The grain periodicity along e1
|
||||
if (iGNghb3(1) < 1) iGNghb3(1) = nGDim(1)
|
||||
if (iGNghb3(1) > nGDim(1)) iGNghb3(1) = 1
|
||||
!* The grain periodicity along e2
|
||||
if (iGNghb3(2) < 1) iGNghb3(2) = nGDim(2)
|
||||
if (iGNghb3(2) > nGDim(2)) iGNghb3(2) = 1
|
||||
!* The grain periodicity along e3
|
||||
if (iGNghb3(3) < 1) iGNghb3(3) = nGDim(3)
|
||||
if (iGNghb3(3) > nGDim(3)) iGNghb3(3) = 1
|
||||
call homogenization_RGC_grain3to1(iGNghb,iGNghb3,homID) ! get the neighbor
|
||||
!* Debugging the neigbor grains
|
||||
! if (ip == 1 .and. el == 1) then
|
||||
! write(1978,'(x,a10,i2,x,a20,x,i3)')'To face',intFace(1),'neighbor grain: ',iGNghb
|
||||
! write(1978,'(x,a10,x,3(i3,x))')'at pos: ',(iGNghb3(i), i = 1,3)
|
||||
! endif
|
||||
!*
|
||||
call homogenization_RGC_grain3to1(iGNghb,iGNghb3,homID) ! get the grain neighbor
|
||||
call homogenization_RGC_equivalentShearMod(muGNghb,constitutive_homogenizedC(iGNghb,ip,el))
|
||||
gDef = 0.5_pReal*(fDef(:,:,iGNghb) - fDef(:,:,iGrain)) ! difference with the neighbor
|
||||
gDef = 0.5_pReal*(fDef(:,:,iGNghb) - fDef(:,:,iGrain)) ! difference in F with the neighbor
|
||||
nDefNorm = 0.0_pReal
|
||||
nDef = 0.0_pReal
|
||||
do i = 1,3
|
||||
do j = 1,3
|
||||
do k = 1,3
|
||||
do l = 1,3
|
||||
nDef(i,j) = nDef(i,j) - nVect(k)*gDef(i,l)*math_civita(j,k,l) ! interface mismatch tensor
|
||||
nDef(i,j) = nDef(i,j) - nVect(k)*gDef(i,l)*math_civita(j,k,l) ! compute the interface mismatch tensor
|
||||
enddo
|
||||
enddo
|
||||
nDefNorm = nDefNorm + nDef(i,j)*nDef(i,j)
|
||||
enddo
|
||||
enddo
|
||||
nDefNorm = max(nDefToler,sqrt(nDefNorm)) ! zero mismatch approximation if too small
|
||||
nDefNorm = max(nDefToler,sqrt(nDefNorm)) ! zero mismatch approximation if too small
|
||||
!* Debugging the mismatch tensor
|
||||
! if (ip == 1 .and. el == 1) then
|
||||
! write(1978,'(x,a20,i2,x,a20,x,i3)')'Mismatch to face: ',intFace(1),'neighbor grain: ',iGNghb
|
||||
|
|
@ -720,7 +691,6 @@ subroutine homogenization_RGC_stressPenalty(&
|
|||
! enddo
|
||||
! write(1978,'(x,a20,e10.4))')'with magnitude: ',nDefNorm
|
||||
! endif
|
||||
!*
|
||||
!* Compute the stress-like penalty from all six interfaces
|
||||
do i = 1,3
|
||||
do j = 1,3
|
||||
|
|
@ -734,7 +704,8 @@ subroutine homogenization_RGC_stressPenalty(&
|
|||
enddo
|
||||
enddo
|
||||
enddo
|
||||
nMis(iGrain) = nMis(iGrain) + nDefNorm ! total amount of mismatch of grain
|
||||
!* Total amount of mismatch experienced by the grain (at all six interfaces)
|
||||
nMis(iGrain) = nMis(iGrain) + nDefNorm
|
||||
enddo
|
||||
!* Debugging the stress-like penalty
|
||||
! if (ip == 1 .and. el == 1) then
|
||||
|
|
@ -743,7 +714,6 @@ subroutine homogenization_RGC_stressPenalty(&
|
|||
! write(1978,'(x,3(e10.4,x))')(rPen(i,j,iGrain), j = 1,3)
|
||||
! enddo
|
||||
! endif
|
||||
!*
|
||||
enddo
|
||||
|
||||
return
|
||||
|
|
@ -751,8 +721,7 @@ subroutine homogenization_RGC_stressPenalty(&
|
|||
endsubroutine
|
||||
|
||||
!********************************************************************
|
||||
! subroutine to compute the equivalent shear modulus from anisotropic
|
||||
! elasticity tensor
|
||||
! subroutine to compute the equivalent shear modulus from the elasticity tensor
|
||||
!********************************************************************
|
||||
subroutine homogenization_RGC_equivalentShearMod(&
|
||||
shearMod, & ! equivalent (isotropic) shear modulus
|
||||
|
|
@ -767,10 +736,10 @@ subroutine homogenization_RGC_equivalentShearMod(&
|
|||
|
||||
!* Definition of variables
|
||||
real(pReal), dimension (6,6), intent(in) :: elasTens
|
||||
real(pReal), intent(out) :: shearMod
|
||||
!
|
||||
real(pReal), intent(out) :: shearMod
|
||||
real(pReal) cEquiv_11,cEquiv_12,cEquiv_44
|
||||
|
||||
!* Compute the equivalent shear modulus using Turterltaub and Suiker, JMPS (2005)
|
||||
cEquiv_11 = (elasTens(1,1) + elasTens(2,2) + elasTens(3,3))/3.0_pReal
|
||||
cEquiv_12 = (elasTens(1,2) + elasTens(2,3) + elasTens(3,1) + &
|
||||
elasTens(1,3) + elasTens(2,1) + elasTens(3,2))/6.0_pReal
|
||||
|
|
@ -782,12 +751,12 @@ subroutine homogenization_RGC_equivalentShearMod(&
|
|||
endsubroutine
|
||||
|
||||
!********************************************************************
|
||||
! subroutine to collect relaxation vectors of a grain
|
||||
! subroutine to collect relaxation vectors of an interface
|
||||
!********************************************************************
|
||||
subroutine homogenization_RGC_relaxationVector(&
|
||||
aVect, & ! relaxation vector
|
||||
aVect, & ! relaxation vector of the interface
|
||||
!
|
||||
intFace, & ! set of interface ID in 4D array
|
||||
intFace, & ! set of interface ID in 4D array (normal and position)
|
||||
state, & ! set of global relaxation vectors
|
||||
homID & ! homogenization ID
|
||||
)
|
||||
|
|
@ -800,29 +769,27 @@ subroutine homogenization_RGC_relaxationVector(&
|
|||
!* Definition of variables
|
||||
real(pReal), dimension (3), intent(out) :: aVect
|
||||
integer(pInt), dimension (4), intent(in) :: intFace
|
||||
type(p_vec), intent(in) :: state
|
||||
!
|
||||
type(p_vec), intent(in) :: state
|
||||
integer(pInt), dimension (3) :: nGDim
|
||||
integer(pInt) iNum,homID
|
||||
|
||||
nGDim = homogenization_RGC_Ngrains(:,homID)
|
||||
|
||||
!* Calculate the interface normals of grains
|
||||
!* Collect the interface relaxation vector from the global state array
|
||||
aVect = 0.0_pReal
|
||||
call homogenization_RGC_interface4to1(iNum,intFace,homID)
|
||||
if (iNum .gt. 0_pInt) aVect = state%p((3*iNum-2):(3*iNum))
|
||||
nGDim = homogenization_RGC_Ngrains(:,homID)
|
||||
call homogenization_RGC_interface4to1(iNum,intFace,homID) ! Get the position in global state array
|
||||
if (iNum .gt. 0_pInt) aVect = state%p((3*iNum-2):(3*iNum)) ! Collect the corresponding entries
|
||||
|
||||
return
|
||||
|
||||
endsubroutine
|
||||
|
||||
!********************************************************************
|
||||
! subroutine to collect interface normals of a grain
|
||||
! subroutine to identify the normal of an interface
|
||||
!********************************************************************
|
||||
subroutine homogenization_RGC_interfaceNormal(&
|
||||
nVect, & ! interface normal
|
||||
!
|
||||
intFace & ! interface ID in 4D array
|
||||
intFace & ! interface ID in 4D array (normal and position)
|
||||
)
|
||||
|
||||
use prec, only: pReal,pInt,p_vec
|
||||
|
|
@ -832,10 +799,9 @@ subroutine homogenization_RGC_interfaceNormal(&
|
|||
!* Definition of variables
|
||||
real(pReal), dimension (3), intent(out) :: nVect
|
||||
integer(pInt), dimension (4), intent(in) :: intFace
|
||||
!
|
||||
integer(pInt) nPos
|
||||
|
||||
!* Calculate the interface normals of grains
|
||||
!* Get the normal of the interface, identified from the value of intFace(1)
|
||||
nVect = 0.0_pReal
|
||||
nPos = abs(intFace(1))
|
||||
nVect(nPos) = intFace(1)/abs(intFace(1))
|
||||
|
|
@ -845,10 +811,10 @@ subroutine homogenization_RGC_interfaceNormal(&
|
|||
endsubroutine
|
||||
|
||||
!********************************************************************
|
||||
! subroutine to collect relaxation vectors and their normals
|
||||
! subroutine to collect six faces of a grain in 4D (normal and position)
|
||||
!********************************************************************
|
||||
subroutine homogenization_RGC_getInterface(&
|
||||
intFace, & ! set of interface in 4D array
|
||||
intFace, & ! interface ID in 4D (normal and position)
|
||||
!
|
||||
iFace, & ! number of faces of grain
|
||||
iGrain3 & ! grain ID in 3D array
|
||||
|
|
@ -860,11 +826,13 @@ subroutine homogenization_RGC_getInterface(&
|
|||
integer(pInt), dimension (4), intent(out) :: intFace
|
||||
integer(pInt), dimension (3), intent(in) :: iGrain3
|
||||
integer(pInt), intent(in) :: iFace
|
||||
!
|
||||
integer(pInt) iDir
|
||||
|
||||
!* Direction of interface normal
|
||||
iDir = (int(dble(iFace-1)/2.0_pReal)+1)*(-1_pInt)**iFace
|
||||
intFace(1) = iDir
|
||||
|
||||
!* Identify the interface position by the direction of its normal
|
||||
intFace(2:4) = iGrain3(:)
|
||||
if (iDir .eq. -1_pInt) intFace(2) = intFace(2)-1
|
||||
if (iDir .eq. -2_pInt) intFace(3) = intFace(3)-1
|
||||
|
|
@ -875,10 +843,10 @@ subroutine homogenization_RGC_getInterface(&
|
|||
endsubroutine
|
||||
|
||||
!********************************************************************
|
||||
! subroutine to map grain ID from in 1D array to in 3D array
|
||||
! subroutine to map grain ID from in 1D (array) to in 3D (position)
|
||||
!********************************************************************
|
||||
subroutine homogenization_RGC_grain1to3(&
|
||||
grain3, & ! grain ID in 3D array
|
||||
grain3, & ! grain ID in 3D array (pos.x,pos.y,pos.z)
|
||||
!
|
||||
grain1, & ! grain ID in 1D array
|
||||
homID & ! homogenization ID
|
||||
|
|
@ -890,10 +858,10 @@ subroutine homogenization_RGC_grain1to3(&
|
|||
|
||||
!* Definition of variables
|
||||
integer(pInt), dimension (3), intent(out) :: grain3
|
||||
integer(pInt), intent(in) :: grain1,homID
|
||||
!
|
||||
integer(pInt), intent(in) :: grain1,homID
|
||||
integer(pInt), dimension (3) :: nGDim
|
||||
|
||||
!* Get the grain position
|
||||
nGDim = homogenization_RGC_Ngrains(:,homID)
|
||||
grain3(3) = int(dble(grain1-1)/dble(nGDim(1))/dble(nGDim(2)))+1
|
||||
grain3(2) = mod(int(dble(grain1-1)/dble(nGDim(1))),nGDim(2))+1
|
||||
|
|
@ -904,12 +872,12 @@ subroutine homogenization_RGC_grain1to3(&
|
|||
endsubroutine
|
||||
|
||||
!********************************************************************
|
||||
! subroutine to map grain ID from in 3D array to in 1D array
|
||||
! subroutine to map grain ID from in 3D (position) to in 1D (array)
|
||||
!********************************************************************
|
||||
subroutine homogenization_RGC_grain3to1(&
|
||||
grain1, & ! grain ID in 1D array
|
||||
grain1, & ! grain ID in 1D array
|
||||
!
|
||||
grain3, & ! grain ID in 3D array
|
||||
grain3, & ! grain ID in 3D array (pos.x,pos.y,pos.z)
|
||||
homID & ! homogenization ID
|
||||
)
|
||||
|
||||
|
|
@ -919,11 +887,11 @@ subroutine homogenization_RGC_grain3to1(&
|
|||
|
||||
!* Definition of variables
|
||||
integer(pInt), dimension (3), intent(in) :: grain3
|
||||
integer(pInt), intent(out) :: grain1
|
||||
!
|
||||
integer(pInt), intent(out) :: grain1
|
||||
integer(pInt), dimension (3) :: nGDim
|
||||
integer(pInt) homID
|
||||
|
||||
!* Get the grain ID
|
||||
nGDim = homogenization_RGC_Ngrains(:,homID)
|
||||
grain1 = grain3(1) + nGDim(1)*(grain3(2)-1) + nGDim(1)*nGDim(2)*(grain3(3)-1)
|
||||
|
||||
|
|
@ -932,12 +900,12 @@ subroutine homogenization_RGC_grain3to1(&
|
|||
endsubroutine
|
||||
|
||||
!********************************************************************
|
||||
! subroutine to map interface ID from 4D array into 1D array
|
||||
! subroutine to map interface ID from 4D (normal and position) into 1D (array)
|
||||
!********************************************************************
|
||||
subroutine homogenization_RGC_interface4to1(&
|
||||
iFace1D, & ! set of interface ID in 1D array
|
||||
iFace1D, & ! interface ID in 1D array
|
||||
!
|
||||
iFace4D, & ! set of interface ID in 4D array
|
||||
iFace4D, & ! interface ID in 4D array (n.dir,pos.x,pos.y,pos.z)
|
||||
homID & ! homogenization ID
|
||||
)
|
||||
|
||||
|
|
@ -947,22 +915,25 @@ subroutine homogenization_RGC_interface4to1(&
|
|||
|
||||
!* Definition of variables
|
||||
integer(pInt), dimension (4), intent(in) :: iFace4D
|
||||
integer(pInt), intent(out) :: iFace1D
|
||||
!
|
||||
integer(pInt), intent(out) :: iFace1D
|
||||
integer(pInt), dimension (3) :: nGDim,nIntFace
|
||||
integer(pInt) homID
|
||||
|
||||
nGDim = homogenization_RGC_Ngrains(:,homID)
|
||||
nIntFace(1) = (nGDim(1)-1)*nGDim(2)*nGDim(3)
|
||||
nIntFace(2) = nGDim(1)*(nGDim(2)-1)*nGDim(3)
|
||||
nIntFace(3) = nGDim(1)*nGDim(2)*(nGDim(3)-1)
|
||||
!* Get the number of interfaces, which ...
|
||||
nIntFace(1) = (nGDim(1)-1)*nGDim(2)*nGDim(3) ! ... normal //e1
|
||||
nIntFace(2) = nGDim(1)*(nGDim(2)-1)*nGDim(3) ! ... normal //e2
|
||||
nIntFace(3) = nGDim(1)*nGDim(2)*(nGDim(3)-1) ! ... normal //e3
|
||||
|
||||
!* For interface with normal //e1
|
||||
if (abs(iFace4D(1)) == 1_pInt) then
|
||||
iFace1D = iFace4D(3) + nGDim(2)*(iFace4D(4)-1) + nGDim(2)*nGDim(3)*(iFace4D(2)-1)
|
||||
if ((iFace4D(2) == 0_pInt) .or. (iFace4D(2) == nGDim(1))) iFace1D = 0_pInt
|
||||
!* For interface with normal //e2
|
||||
elseif (abs(iFace4D(1)) == 2_pInt) then
|
||||
iFace1D = iFace4D(4) + nGDim(3)*(iFace4D(2)-1) + nGDim(3)*nGDim(1)*(iFace4D(3)-1) + nIntFace(1)
|
||||
if ((iFace4D(3) == 0_pInt) .or. (iFace4D(3) == nGDim(2))) iFace1D = 0_pInt
|
||||
!* For interface with normal //e3
|
||||
elseif (abs(iFace4D(1)) == 3_pInt) then
|
||||
iFace1D = iFace4D(2) + nGDim(1)*(iFace4D(3)-1) + nGDim(1)*nGDim(2)*(iFace4D(4)-1) + nIntFace(1) + nIntFace(2)
|
||||
if ((iFace4D(4) == 0_pInt) .or. (iFace4D(4) == nGDim(3))) iFace1D = 0_pInt
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@ -973,12 +944,12 @@ subroutine homogenization_RGC_interface4to1(&
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endsubroutine
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!********************************************************************
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! subroutine to map interface ID from 4D array into 1D array
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! subroutine to map interface ID from 1D (array) into 4D (normal and position)
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!********************************************************************
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subroutine homogenization_RGC_interface1to4(&
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iFace4D, & ! set of interface ID in 4D array
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iFace4D, & ! interface ID in 4D array (n.dir,pos.x,pos.y,pos.z)
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!
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iFace1D, & ! set of interface ID in 1D array
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iFace1D, & ! interface ID in 1D array
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homID & ! homogenization ID
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)
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||||
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||||
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|
@ -988,26 +959,29 @@ subroutine homogenization_RGC_interface1to4(&
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|
||||
!* Definition of variables
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integer(pInt), dimension (4), intent(out) :: iFace4D
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integer(pInt), intent(in) :: iFace1D
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!
|
||||
integer(pInt), intent(in) :: iFace1D
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integer(pInt), dimension (3) :: nGDim,nIntFace
|
||||
integer(pInt) homID
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||||
nGDim = homogenization_RGC_Ngrains(:,homID)
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nIntFace(1) = (nGDim(1)-1)*nGDim(2)*nGDim(3)
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nIntFace(2) = nGDim(1)*(nGDim(2)-1)*nGDim(3)
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nIntFace(3) = nGDim(1)*nGDim(2)*(nGDim(3)-1)
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!* Get the number of interfaces, which ...
|
||||
nIntFace(1) = (nGDim(1)-1)*nGDim(2)*nGDim(3) ! ... normal //e1
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||||
nIntFace(2) = nGDim(1)*(nGDim(2)-1)*nGDim(3) ! ... normal //e2
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nIntFace(3) = nGDim(1)*nGDim(2)*(nGDim(3)-1) ! ... normal //e3
|
||||
|
||||
!* For interface ID between 1 and nIntFace(1)
|
||||
if (iFace1D > 0 .and. iFace1D <= nIntFace(1)) then
|
||||
iFace4D(1) = 1
|
||||
iFace4D(3) = mod((iFace1D-1),nGDim(2))+1
|
||||
iFace4D(4) = mod(int(dble(iFace1D-1)/dble(nGDim(2))),nGDim(3))+1
|
||||
iFace4D(2) = int(dble(iFace1D-1)/dble(nGDim(2))/dble(nGDim(3)))+1
|
||||
!* For interface ID between nIntFace(1) and nIntFace(1) + nIntFace(2)
|
||||
elseif (iFace1D > nIntFace(1) .and. iFace1D <= (nIntFace(2) + nIntFace(1))) then
|
||||
iFace4D(1) = 2
|
||||
iFace4D(4) = mod((iFace1D-nIntFace(1)-1),nGDim(3))+1
|
||||
iFace4D(2) = mod(int(dble(iFace1D-nIntFace(1)-1)/dble(nGDim(3))),nGDim(1))+1
|
||||
iFace4D(3) = int(dble(iFace1D-nIntFace(1)-1)/dble(nGDim(3))/dble(nGDim(1)))+1
|
||||
!* For interface ID between nIntFace(1) + nIntFace(2) and nIntFace(1) + nIntFace(2) + nIntFace(3)
|
||||
elseif (iFace1D > nIntFace(2) + nIntFace(1) .and. iFace1D <= (nIntFace(3) + nIntFace(2) + nIntFace(1))) then
|
||||
iFace4D(1) = 3
|
||||
iFace4D(2) = mod((iFace1D-nIntFace(2)-nIntFace(1)-1),nGDim(1))+1
|
||||
|
|
@ -1019,5 +993,4 @@ subroutine homogenization_RGC_interface1to4(&
|
|||
|
||||
endsubroutine
|
||||
|
||||
|
||||
END MODULE
|
||||
|
|
|
|||
Loading…
Reference in New Issue