cleaning
This commit is contained in:
Martin Diehl
parent
69079b6558
commit
70998f7f9a
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@ -48,25 +48,32 @@ module homogenization_RGC
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outputID !< ID of each post result output
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end type
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type, private :: tRGCState
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type, private :: tRGCstate
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real(pReal), pointer, dimension(:) :: &
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work, &
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penaltyEnergy, &
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volumeDiscrepancy, &
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relaxationRate_avg, &
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relaxationRage_max
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relaxationRate_max
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real(pReal), pointer, dimension(:,:) :: &
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mismatch
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end type tRGCState
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end type tRGCstate
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type, private :: tRGCdependentState
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real(pReal), allocatable, dimension(:,:,:) :: &
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orientation
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end type tRGCdependentState
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type(tparameters), dimension(:), allocatable, private :: param !< containers of parameters (len Ninstance)
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type(tRGCstate), dimension(:), allocatable, private :: state
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type(tRGCdependentState), dimension(:), allocatable, private :: dependentState
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! START: Could be improved
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real(pReal), dimension(:,:,:,:), allocatable, private :: &
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homogenization_RGC_orientation
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! END: Could be improved
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type(tParameters), dimension(:), allocatable, private :: param !< containers of parameters (len Ninstance)
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type(tRGCState), dimension(:), allocatable, private :: state
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public :: &
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homogenization_RGC_init, &
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homogenization_RGC_partitionDeformation, &
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@ -147,6 +154,7 @@ subroutine homogenization_RGC_init()
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allocate(param(maxNinstance)) ! one container of parameters per instance
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allocate(state(maxNinstance)) ! one container per instance
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allocate(dependentState(maxNinstance)) ! one container per instance
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allocate(homogenization_RGC_Noutput(maxNinstance), source=0_pInt)
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allocate(homogenization_RGC_output(maxval(homogenization_Noutput),maxNinstance))
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@ -201,24 +209,6 @@ subroutine homogenization_RGC_init()
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prm%outputID = [prm%outputID , outputID]
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endif
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enddo
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!--------------------------------------------------------------------------------------------------
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! * assigning cluster orientations
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elementLooping: do e = 1_pInt,mesh_NcpElems
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if (homogenization_typeInstance(mesh_homogenizationAt(e)) == instance) then
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noOrientationGiven: if (all (prm%angles >= 399.9_pReal)) then
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homogenization_RGC_orientation(1:3,1:3,1,e) = math_EulerToR(math_sampleRandomOri())
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do i = 2_pInt,mesh_NipsPerElem
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homogenization_RGC_orientation(1:3,1:3,i,e) = merge(homogenization_RGC_orientation(1:3,1:3,1,e), &
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math_EulerToR(math_sampleRandomOri()), &
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microstructure_elemhomo(mesh_microstructureAt(e)))
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enddo
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else noOrientationGiven
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do i = 1_pInt,mesh_NipsPerElem
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homogenization_RGC_orientation(1:3,1:3,i,e) = math_EulerToR(prm%angles*inRad)
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enddo
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endif noOrientationGiven
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endif
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enddo elementLooping
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if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0_pInt) then
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write(6,'(a15,1x,i4,/)') 'instance: ', instance
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@ -244,9 +234,34 @@ subroutine homogenization_RGC_init()
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allocate(homogState(h)%subState0(sizeHState,NofMyHomog), source=0.0_pReal)
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allocate(homogState(h)%state (sizeHState,NofMyHomog), source=0.0_pReal)
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state(instance)%work =>homogState(h)%state(nIntFaceTot+1,:)
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state(instance)%penaltyEnergy =>homogState(h)%state(nIntFaceTot+5,:)
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state(instance)%work =>homogState(h)%state(nIntFaceTot+1,:)
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state(instance)%mismatch =>homogState(h)%state(nIntFaceTot+2:nIntFaceTot+4,:)
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state(instance)%penaltyEnergy =>homogState(h)%state(nIntFaceTot+5,:)
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state(instance)%volumeDiscrepancy =>homogState(h)%state(nIntFaceTot+6,:)
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state(instance)%relaxationRate_avg =>homogState(h)%state(nIntFaceTot+7,:)
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state(instance)%relaxationRate_max =>homogState(h)%state(nIntFaceTot+8,:)
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allocate(dependentState(instance)%orientation(3,3,NofMyHomog))
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!--------------------------------------------------------------------------------------------------
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! * assigning cluster orientations
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elementLooping: do e = 1_pInt,mesh_NcpElems
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if (homogenization_typeInstance(mesh_homogenizationAt(e)) == instance) then
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noOrientationGiven: if (all (prm%angles >= 399.9_pReal)) then
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homogenization_RGC_orientation(1:3,1:3,1,e) = math_EulerToR(math_sampleRandomOri())
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do i = 2_pInt,mesh_NipsPerElem
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homogenization_RGC_orientation(1:3,1:3,i,e) = merge(homogenization_RGC_orientation(1:3,1:3,1,e), &
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math_EulerToR(math_sampleRandomOri()), &
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microstructure_elemhomo(mesh_microstructureAt(e)))
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enddo
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else noOrientationGiven
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do i = 1_pInt,mesh_NipsPerElem
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homogenization_RGC_orientation(1:3,1:3,i,e) = math_EulerToR(prm%angles*inRad)
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enddo
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endif noOrientationGiven
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endif
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enddo elementLooping
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end associate
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enddo
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@ -278,7 +293,6 @@ subroutine homogenization_RGC_partitionDeformation(F,avgF,ip,el)
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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
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integer(pInt), parameter :: nFace = 6_pInt
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!--------------------------------------------------------------------------------------------------
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! compute the deformation gradient of individual grains due to relaxations
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@ -286,7 +300,7 @@ subroutine homogenization_RGC_partitionDeformation(F,avgF,ip,el)
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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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iGrain3 = grain1to3(iGrain,instance)
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do iFace = 1_pInt,nFace
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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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aVect = relaxationVector(intFace,instance, ip, el) ! get the relaxation vectors for each interface from global relaxation vector array
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nVect = interfaceNormal(intFace,ip,el) ! get the normal of each interface
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@ -371,8 +385,6 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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real(pReal) :: residMax,stresMax,volDiscrep
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logical error
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integer(pInt), parameter :: nFace = 6_pInt
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real(pReal), dimension(:,:), allocatable :: tract,jmatrix,jnverse,smatrix,pmatrix,rmatrix
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real(pReal), dimension(:), allocatable :: resid,relax,p_relax,p_resid,drelax
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@ -527,32 +539,25 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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enddo
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enddo
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enddo
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homogState(mappingHomogenization(2,ip,el))% &
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state(3*nIntFaceTot+2,of) = sum(NN(1,:))/real(nGrain,pReal) ! the overall mismatch of all interface normal to e1-direction
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homogState(mappingHomogenization(2,ip,el))% &
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state(3*nIntFaceTot+3,of) = sum(NN(2,:))/real(nGrain,pReal) ! the overall mismatch of all interface normal to e2-direction
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homogState(mappingHomogenization(2,ip,el))% &
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state(3*nIntFaceTot+4,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,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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homogState(mappingHomogenization(2,ip,el))% &
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state(3*nIntFaceTot+6,of) = volDiscrep ! the overall volume discrepancy
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homogState(mappingHomogenization(2,ip,el))% &
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state(3*nIntFaceTot+7,of) = &
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sum(abs(drelax))/dt/real(3_pInt*nIntFaceTot,pReal) ! the average rate of relaxation vectors
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homogState(mappingHomogenization(2,ip,el))% &
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state(3*nIntFaceTot+8,of) = maxval(abs(drelax))/dt ! the maximum rate of relaxation vectors
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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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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,a30,1x,e15.8)') 'Constitutive work: ',state(instance)%work(of)
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write(6,'(1x,a30,3(1x,e15.8))')'Magnitude mismatch: ',sum(NN(1,:))/real(nGrain,pReal), &
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sum(NN(2,:))/real(nGrain,pReal), &
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sum(NN(3,:))/real(nGrain,pReal)
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write(6,'(1x,a30,1x,e15.8)') 'Penalty energy: ',state(instance)%penaltyEnergy(of)
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write(6,'(1x,a30,1x,e15.8,/)') 'Volume discrepancy: ',volDiscrep
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write(6,'(1x,a30,1x,e15.8)') 'Maximum relaxation rate: ',maxval(abs(drelax))/dt
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write(6,'(1x,a30,1x,e15.8,/)') 'Average relaxation rate: ',sum(abs(drelax))/dt/real(3_pInt*nIntFaceTot,pReal)
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write(6,'(1x,a30,3(1x,e15.8))')'Magnitude mismatch: ',state(instance)%mismatch(1,of), &
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state(instance)%mismatch(2,of), &
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state(instance)%mismatch(3,of)
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write(6,'(1x,a30,1x,e15.8)') 'Penalty energy: ', state(instance)%penaltyEnergy(of)
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write(6,'(1x,a30,1x,e15.8,/)') 'Volume discrepancy: ', state(instance)%volumeDiscrepancy(of)
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write(6,'(1x,a30,1x,e15.8)') 'Maximum relaxation rate: ', state(instance)%relaxationRate_max(of)
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write(6,'(1x,a30,1x,e15.8,/)') 'Average relaxation rate: ', state(instance)%relaxationRate_avg(of)
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flush(6)
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!$OMP END CRITICAL (write2out)
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endif
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@ -600,7 +605,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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iGrN = grain3to1(iGr3N,instance) ! translate into global grain ID
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intFaceN = getInterface(2_pInt*faceID(1),iGr3N) ! identifying the connecting interface in local coordinate system
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normN = interfaceNormal(intFaceN,ip,el) ! get the interface normal
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do iFace = 1_pInt,nFace
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do iFace = 1_pInt,6_pInt
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intFaceN = getInterface(iFace,iGr3N) ! identifying all interfaces that influence relaxation of the above interface
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mornN = interfaceNormal(intFaceN,ip,el) ! get normal of the interfaces
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iMun = interface4to1(intFaceN,instance) ! translate the interfaces ID into local 4-dimensional index
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@ -620,7 +625,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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iGrP = grain3to1(iGr3P,instance) ! translate into global grain ID
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intFaceP = getInterface(2_pInt*faceID(1)-1_pInt,iGr3P) ! identifying the connecting interface in local coordinate system
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normP = interfaceNormal(intFaceP,ip,el) ! get the interface normal
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do iFace = 1_pInt,nFace
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do iFace = 1_pInt,6_pInt
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intFaceP = getInterface(iFace,iGr3P) ! identifying all interfaces that influence relaxation of the above interface
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mornP = interfaceNormal(intFaceP,ip,el) ! get normal of the interfaces
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iMun = interface4to1(intFaceP,instance) ! translate the interfaces ID into local 4-dimensional index
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@ -831,7 +836,6 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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real(pReal) :: muGrain,muGNghb,nDefNorm,bgGrain,bgGNghb
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type(tParameters) :: prm
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integer(pInt), parameter :: nFace = 6_pInt
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real(pReal), parameter :: nDefToler = 1.0e-10_pReal
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nGDim = param(instance)%Nconstituents
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@ -863,17 +867,14 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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iGrain3 = grain1to3(iGrain,instance) ! get the grain ID in local 3-dimensional index (x,y,z)-position
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!* Looping over all six interfaces of each grain
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do iFace = 1_pInt,nFace
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do iFace = 1_pInt,6_pInt
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intFace = getInterface(iFace,iGrain3) ! get the 4-dimensional index of the interface in local numbering system of the grain
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nVect = interfaceNormal(intFace,ip,el) ! get the interface normal
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iGNghb3 = iGrain3 ! identify the neighboring grain across the interface
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iGNghb3(abs(intFace(1))) = iGNghb3(abs(intFace(1))) + int(real(intFace(1),pReal)/real(abs(intFace(1)),pReal),pInt)
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if (iGNghb3(1) < 1) iGNghb3(1) = nGDim(1) ! with periodicity along e1 direction
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if (iGNghb3(1) > nGDim(1)) iGNghb3(1) = 1_pInt
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if (iGNghb3(2) < 1) iGNghb3(2) = nGDim(2) ! with periodicity along e2 direction
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if (iGNghb3(2) > nGDim(2)) iGNghb3(2) = 1_pInt
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if (iGNghb3(3) < 1) iGNghb3(3) = nGDim(3) ! with periodicity along e3 direction
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if (iGNghb3(3) > nGDim(3)) iGNghb3(3) = 1_pInt
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iGNghb3(abs(intFace(1))) = iGNghb3(abs(intFace(1))) &
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+ int(real(intFace(1),pReal)/real(abs(intFace(1)),pReal),pInt)
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where(iGNghb3 < 1) iGNghb3 = nGDim
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where(iGNghb3 >nGDim) iGNghb3 = 1_pInt
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iGNghb = grain3to1(iGNghb3,instance) ! get the ID of the neighboring grain
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Gmoduli = equivalentModuli(iGNghb,ip,el) ! collecting the shear modulus and Burgers vector of the neighbor
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muGNghb = Gmoduli(1)
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@ -1001,10 +1002,10 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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!$OMP END CRITICAL (write2out)
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endif
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enddo
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end subroutine volumePenalty
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!--------------------------------------------------------------------------------------------------
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!> @brief compute the correction factor accouted for surface evolution (area change) due to
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! deformation
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@ -1037,8 +1038,8 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
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enddo
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end function surfaceCorrection
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!--------------------------------------------------------------------------------------------------
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!> @brief compute the equivalent shear and bulk moduli from the elasticity tensor
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!--------------------------------------------------------------------------------------------------
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@ -1204,9 +1205,6 @@ pure function homogenization_RGC_postResults(ip,el) result(postResults)
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end function homogenization_RGC_postResults
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!--------------------------------------------------------------------------------------------------
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!> @brief collect relaxation vectors of an interface
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!--------------------------------------------------------------------------------------------------
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@ -1237,9 +1235,6 @@ end function relaxationVector
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!> @brief identify the normal of an interface
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!--------------------------------------------------------------------------------------------------
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function interfaceNormal(intFace,ip,el)
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use debug, only: &
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debug_homogenization,&
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debug_levelExtensive
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use math, only: &
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math_mul33x3
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