cleaning
This commit is contained in:
Martin Diehl
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8127d85be1
commit
3c11905f63
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@ -911,6 +911,7 @@ subroutine homogenization_partitionDeformation(ip,el)
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use mesh, only: &
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mesh_element
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use material, only: &
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mappingHomogenization, &
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homogenization_type, &
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homogenization_maxNgrains, &
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homogenization_typeInstance, &
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@ -929,7 +930,7 @@ subroutine homogenization_partitionDeformation(ip,el)
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ip, & !< integration point
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el !< element number
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integer(pInt) :: &
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instance
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instance, of
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chosenHomogenization: select case(homogenization_type(mesh_element(3,el)))
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@ -946,6 +947,8 @@ subroutine homogenization_partitionDeformation(ip,el)
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instance)
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case (HOMOGENIZATION_RGC_ID) chosenHomogenization
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instance = homogenization_typeInstance(mesh_element(3,el))
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of = mappingHomogenization(1,ip,el)
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call homogenization_RGC_partitionDeformation(&
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crystallite_partionedF(1:3,1:3,1:homogenization_maxNgrains,ip,el), &
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materialpoint_subF(1:3,1:3,ip,el),&
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@ -269,38 +269,31 @@ end subroutine homogenization_RGC_init
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!--------------------------------------------------------------------------------------------------
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!> @brief partitions the deformation gradient onto the constituents
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!--------------------------------------------------------------------------------------------------
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subroutine homogenization_RGC_partitionDeformation(F,avgF,ip,el)
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subroutine homogenization_RGC_partitionDeformation(F,avgF,instance,of)
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use debug, only: &
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debug_level, &
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debug_homogenization, &
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debug_levelExtensive
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use mesh, only: &
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mesh_homogenizationAt
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use material, only: &
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mappingHomogenization, &
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homogenization_maxNgrains, &
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homogenization_Ngrains,&
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homogenization_typeInstance
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homogenization_maxNgrains
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implicit none
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real(pReal), dimension (3,3,homogenization_maxNgrains), intent(out) :: F !< partioned F per grain
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real(pReal), dimension (3,3), intent(in) :: avgF !< averaged F
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integer(pInt), intent(in) :: &
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ip, & !< integration point number
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el !< element number
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instance, &
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of !< element number
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real(pReal), dimension (3) :: aVect,nVect
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integer(pInt), dimension (4) :: intFace
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integer(pInt), dimension (3) :: iGrain3
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integer(pInt) :: instance, iGrain,iFace,i,j,of
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integer(pInt) :: iGrain,iFace,i,j
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type(tParameters) :: prm
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!--------------------------------------------------------------------------------------------------
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! compute the deformation gradient of individual grains due to relaxations
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instance = homogenization_typeInstance(mesh_homogenizationAt(el))
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of = mappingHomogenization(1,ip,el)
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associate(prm => param(instance))
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F = 0.0_pReal
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do iGrain = 1_pInt,homogenization_Ngrains(mesh_homogenizationAt(el))
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do iGrain = 1_pInt,product(prm%Nconstituents)
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iGrain3 = grain1to3(iGrain,instance)
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do iFace = 1_pInt,6_pInt
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intFace = getInterface(iFace,iGrain3) ! identifying 6 interfaces of each grain
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@ -532,20 +525,16 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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!--------------------------------------------------------------------------------------------------
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! compute/update the state for postResult, i.e., all energy densities computed by time-integration
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do iGrain = 1_pInt,homogenization_Ngrains(mesh_homogenizationAt(el)) ! time-integration loop for the calculating the work and energy
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do i = 1_pInt,3_pInt
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do j = 1_pInt,3_pInt
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do iGrain = 1_pInt,homogenization_Ngrains(mesh_homogenizationAt(el)) ! time-integration loop for work and energy
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do i = 1_pInt,3_pInt;do j = 1_pInt,3_pInt
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state(instance)%work(of) = state(instance)%work(of) &
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+ P(i,j,iGrain)*(F(i,j,iGrain) - F0(i,j,iGrain))/real(nGrain,pReal)
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state(instance)%penaltyEnergy(of) = state(instance)%penaltyEnergy(of) &
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+ R(i,j,iGrain)*(F(i,j,iGrain) - F0(i,j,iGrain))/real(nGrain,pReal)
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enddo
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enddo
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enddo; enddo
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enddo
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state(instance)%mismatch(1,of) = sum(NN(1,:))/real(nGrain,pReal) ! the overall mismatch of all interface normal to e1-direction
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state(instance)%mismatch(2,of) = sum(NN(2,:))/real(nGrain,pReal) ! the overall mismatch of all interface normal to e2-direction
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state(instance)%mismatch(3,of) = sum(NN(3,:))/real(nGrain,pReal) ! the overall mismatch of all interface normal to e3-direction
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state(instance)%mismatch(1:3,of) = sum(NN,2)/real(nGrain,pReal) ! the overall mismatch of all interface normals
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state(instance)%volumeDiscrepancy(of) = volDiscrep
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state(instance)%relaxationRate_avg(of) = sum(abs(drelax))/dt/real(3_pInt*nIntFaceTot,pReal)
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state(instance)%relaxationRate_max(of) = maxval(abs(drelax))/dt
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@ -614,7 +603,8 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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iMun = interface4to1(intFaceN,instance) ! translate the interfaces ID into local 4-dimensional index
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if (iMun > 0) then ! get the corresponding tangent
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do i=1_pInt,3_pInt; do j=1_pInt,3_pInt; do k=1_pInt,3_pInt; do l=1_pInt,3_pInt
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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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smatrix(3*(iNum-1)+i,3*(iMun-1)+j) = smatrix(3*(iNum-1)+i,3*(iMun-1)+j) &
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+ dPdF(i,k,j,l,iGrN)*normN(k)*mornN(l)
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enddo;enddo;enddo;enddo
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! projecting the material tangent dPdF into the interface
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! to obtain the Jacobian matrix contribution of dPdF
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@ -839,6 +829,10 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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type(tParameters) :: prm
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real(pReal), parameter :: nDefToler = 1.0e-10_pReal
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logical :: debugActive
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debugActive = iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt &
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.and. debug_e == el .and. debug_i == ip
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nGDim = param(instance)%Nconstituents
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rPen = 0.0_pReal
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@ -851,14 +845,10 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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of = mappingHomogenization(1,ip,el)
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surfCorr = surfaceCorrection(avgF,instance,of)
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associate(prm => param(instance))
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!--------------------------------------------------------------------------------------------------
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! debugging the surface correction factor
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if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt &
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.and. debug_e == el .and. debug_i == ip) then
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!$OMP CRITICAL (write2out)
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write(6,'(1x,a20,2(1x,i3))')'Correction factor: ',ip,el
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write(6,'(1x,3(e11.4,1x))')(surfCorr(i), i = 1,3)
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!$OMP END CRITICAL (write2out)
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if (debugActive) then
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write(6,'(1x,a20,2(1x,i3))')'Correction factor: ',ip,el
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write(6,*) surfCorr
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endif
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!--------------------------------------------------------------------------------------------------
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@ -892,22 +882,15 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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do k = 1_pInt,3_pInt; do l = 1_pInt,3_pInt
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nDef(i,j) = nDef(i,j) - nVect(k)*gDef(i,l)*math_civita(j,k,l) ! compute the interface mismatch tensor from the jump of deformation gradient
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enddo; enddo
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nDefNorm = nDefNorm + nDef(i,j)*nDef(i,j) ! compute the norm of the mismatch tensor
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nDefNorm = nDefNorm + nDef(i,j)**2.0_pReal ! compute the norm of the mismatch tensor
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enddo; enddo
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nDefNorm = max(nDefToler,sqrt(nDefNorm)) ! approximation to zero mismatch if mismatch is zero (singularity)
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nMis(abs(intFace(1)),iGrain) = nMis(abs(intFace(1)),iGrain) + nDefNorm ! total amount of mismatch experienced by the grain (at all six interfaces)
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!--------------------------------------------------------------------------------------------------
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! debuggin the mismatch tensor
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if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt &
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.and. debug_e == el .and. debug_i == ip) then
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!$OMP CRITICAL (write2out)
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if (debugActive) then
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write(6,'(1x,a20,i2,1x,a20,1x,i3)')'Mismatch to face: ',intFace(1),'neighbor grain: ',iGNghb
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do i = 1,3
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write(6,'(1x,3(e11.4,1x))')(nDef(i,j), j = 1,3)
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enddo
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write(6,'(1x,a20,e11.4)')'with magnitude: ',nDefNorm
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!$OMP END CRITICAL (write2out)
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write(6,*) transpose(nDef)
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write(6,'(1x,a20,e11.4)')'with magnitude: ',nDefNorm
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endif
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!--------------------------------------------------------------------------------------------------
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@ -923,16 +906,9 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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enddo; enddo
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enddo
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!--------------------------------------------------------------------------------------------------
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! debugging the stress-like penalty
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if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt &
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.and. debug_e == el .and. debug_i == ip) then
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!$OMP CRITICAL (write2out)
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write(6,'(1x,a20,i2)')'Penalty of grain: ',iGrain
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do i = 1,3
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write(6,'(1x,3(e11.4,1x))')(rPen(i,j,iGrain), j = 1,3)
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enddo
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!$OMP END CRITICAL (write2out)
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if (debugActive) then
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write(6,'(1x,a20,i2)')'Penalty of grain: ',iGrain
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write(6,*) transpose(rPen(1:3,1:3,iGrain))
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endif
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enddo
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@ -972,10 +948,14 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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integer(pInt), intent(in) :: ip,& ! integration point
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el
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real(pReal), dimension (homogenization_maxNgrains) :: gVol
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integer(pInt) :: iGrain,nGrain,i,j
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integer(pInt) :: iGrain,nGrain
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logical :: debugActive
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debugActive = iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt &
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.and. debug_e == el .and. debug_i == ip
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nGrain = homogenization_Ngrains(mesh_homogenizationAt(el))
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!--------------------------------------------------------------------------------------------------
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! compute the volumes of grains and of cluster
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vDiscrep = math_det33(fAvg) ! compute the volume of the cluster
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@ -993,16 +973,9 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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sign((abs(vDiscrep)/maxVolDiscr_RGC)**(volDiscrPow_RGC - 1.0),vDiscrep)* &
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gVol(iGrain)*transpose(math_inv33(fDef(:,:,iGrain)))
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!--------------------------------------------------------------------------------------------------
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! debugging the stress-like penalty
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if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt &
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.and. debug_e == el .and. debug_i == ip) then
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!$OMP CRITICAL (write2out)
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if (debugActive) then
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write(6,'(1x,a30,i2)')'Volume penalty of grain: ',iGrain
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do i = 1,3
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write(6,'(1x,3(e11.4,1x))')(vPen(i,j,iGrain), j = 1,3)
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enddo
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!$OMP END CRITICAL (write2out)
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write(6,*) transpose(vPen(:,:,iGrain))
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endif
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enddo
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@ -1252,9 +1225,7 @@ function interfaceNormal(intFace,instance,of)
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nPos = abs(intFace(1)) ! identify the position of the interface in global state array
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interfaceNormal(nPos) = real(intFace(1)/abs(intFace(1)),pReal) ! get the normal vector w.r.t. cluster axis
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interfaceNormal = &
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math_mul33x3(dependentState(instance)%orientation(1:3,1:3,of),interfaceNormal)
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! map the normal vector into sample coordinate system (basis)
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interfaceNormal = math_mul33x3(dependentState(instance)%orientation(1:3,1:3,of),interfaceNormal) ! map the normal vector into sample coordinate system (basis)
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end function interfaceNormal
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