restructured constitutive_nonlocal_compatibility and incorporated the "surfaceTransmissivity" in the compatibility calculation
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Christoph Kords
parent
24d33bf2ff
commit
b21c153761
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@ -1824,6 +1824,7 @@ use material, only: material_phase, &
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use mesh, only: mesh_element, &
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use mesh, only: mesh_element, &
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mesh_ipNeighborhood, &
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mesh_ipNeighborhood, &
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FE_NipNeighbors, &
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FE_NipNeighbors, &
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FE_maxNipNeighbors, &
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mesh_maxNips, &
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mesh_maxNips, &
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mesh_NcpElems
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mesh_NcpElems
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use lattice, only: lattice_sn, &
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use lattice, only: lattice_sn, &
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@ -1844,104 +1845,121 @@ real(pReal), dimension(4,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),
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!* output variables
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!* output variables
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!* local variables
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!* local variables
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integer(pInt) n, & ! neighbor index
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integer(pInt) Nneighbors, & ! number of neighbors
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n, & ! neighbor index
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neighboring_e, & ! element index of my neighbor
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neighboring_e, & ! element index of my neighbor
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neighboring_i, & ! integration point index of my neighbor
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neighboring_i, & ! integration point index of my neighbor
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myPhase, & ! phase
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my_phase, &
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neighboringPhase, &
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neighboring_phase, &
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myInstance, & ! instance of constitution
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my_structure, & ! lattice structure
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neighboringInstance, &
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my_instance, & ! instance of constitution
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myStructure, & ! lattice structure
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ns, & ! number of active slip systems
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neighboringStructure, &
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myNSlipSystems, & ! number of active slip systems
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neighboringNSlipSystems, &
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s1, & ! slip system index (me)
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s1, & ! slip system index (me)
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s2 ! slip system index (my neighbor)
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s2 ! slip system index (my neighbor)
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integer(pInt), dimension(maxval(constitutive_nonlocal_totalNslip)) :: &
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mySlipSystems, & ! slip system numbering according to lattice
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neighboringSlipSystems
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real(pReal), dimension(4) :: absoluteMisorientation ! absolute misorientation (without symmetry) between me and my neighbor
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real(pReal), dimension(4) :: absoluteMisorientation ! absolute misorientation (without symmetry) between me and my neighbor
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real(pReal), dimension(3,maxval(constitutive_nonlocal_totalNslip)) :: &
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real(pReal), dimension(2,constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(1,i,e)))) :: &
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myNormals, & ! slip plane normals
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compatibility ! compatibility of one specific slip system to all neighbors slip systems's for edges and screws
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neighboringNormals, &
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real(pReal), dimension(3,constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(1,i,e)))) :: &
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mySlipDirections, & ! slip directions
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slipNormal, &
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neighboringSlipDirections
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slipDirection
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real(pReal) compatibilitySum, &
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real(pReal) compatibilitySum, &
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compatibilityMax, &
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thresholdValue, &
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compatibilityMaxCount
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nThresholdValues
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logical, dimension(maxval(constitutive_nonlocal_totalNslip)) :: &
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logical, dimension(constitutive_nonlocal_totalNslip(phase_constitutionInstance(material_phase(1,i,e)))) :: &
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compatibilityMask
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belowThreshold
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myPhase = material_phase(1,i,e)
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Nneighbors = FE_NipNeighbors(mesh_element(2,e))
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myInstance = phase_constitutionInstance(myPhase)
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my_phase = material_phase(1,i,e)
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myStructure = constitutive_nonlocal_structure(myInstance)
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my_instance = phase_constitutionInstance(my_phase)
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myNSlipSystems = constitutive_nonlocal_totalNslip(myInstance)
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my_structure = constitutive_nonlocal_structure(my_instance)
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mySlipSystems(1:myNSlipSystems) = constitutive_nonlocal_slipSystemLattice(1:myNSlipSystems,myInstance)
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ns = constitutive_nonlocal_totalNslip(my_instance)
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myNormals = lattice_sn(1:3,mySlipSystems,myStructure)
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slipNormal(1:3,1:ns) = lattice_sn(1:3, constitutive_nonlocal_slipSystemLattice(1:ns,my_instance), my_structure)
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mySlipDirections = lattice_sd(1:3,mySlipSystems,myStructure)
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slipDirection(1:3,1:ns) = lattice_sd(1:3, constitutive_nonlocal_slipSystemLattice(1:ns,my_instance), my_structure)
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do n = 1,FE_NipNeighbors(mesh_element(2,e)) ! loop through my neighbors
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!*** start out fully compatible
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constitutive_nonlocal_compatibility(:,:,:,:,i,e) = 0.0_pReal
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forall(s1 = 1:maxval(constitutive_nonlocal_totalNslip)) &
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constitutive_nonlocal_compatibility(1:2,s1,s1,1:Nneighbors,i,e) = 1.0_pReal
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!*** Loop thrugh neighbors and check whether there is any compatibility.
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!*** This is only the case for
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do n = 1,Nneighbors
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neighboring_e = mesh_ipNeighborhood(1,n,i,e)
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neighboring_e = mesh_ipNeighborhood(1,n,i,e)
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neighboring_i = mesh_ipNeighborhood(2,n,i,e)
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neighboring_i = mesh_ipNeighborhood(2,n,i,e)
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if ((neighboring_e > 0) .and. (neighboring_i > 0)) then ! if neighbor exists
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neighboringPhase = material_phase(1,neighboring_i,neighboring_e)
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if (.not. phase_localConstitution(neighboringPhase)) then ! neighbor got also nonlocal constitution
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neighboringInstance = phase_constitutionInstance(neighboringPhase)
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neighboringStructure = constitutive_nonlocal_structure(neighboringInstance)
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neighboringNSlipSystems = constitutive_nonlocal_totalNslip(neighboringInstance)
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neighboringSlipSystems(1:neighboringNSlipSystems) = constitutive_nonlocal_slipSystemLattice(1:neighboringNSlipSystems, &
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neighboringInstance)
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neighboringNormals = lattice_sn(1:3,neighboringSlipSystems,neighboringStructure)
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neighboringSlipDirections = lattice_sd(1:3,neighboringSlipSystems,neighboringStructure)
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if (myStructure == neighboringStructure) then ! if my neighbor has same crystal structure like me
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!* FREE SURFACE
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absoluteMisorientation = math_QuaternionDisorientation( orientation(1:4,1,i,e), &
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!* Set surface transmissivity to the value specified in the material.config
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orientation(1:4,1,neighboring_i,neighboring_e), 0_pInt)
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do s1 = 1,myNSlipSystems ! loop through my slip systems
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if (neighboring_e <= 0 .or. neighboring_i <= 0) then
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do s2 = 1,neighboringNSlipSystems ! loop through my neighbors' slip systems
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forall(s1 = 1:ns) &
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constitutive_nonlocal_compatibility(1,s2,s1,n,i,e) = &
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constitutive_nonlocal_compatibility(1:2,s1,s1,n,i,e) = sqrt(constitutive_nonlocal_surfaceTransmissivity(my_instance))
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math_mul3x3(myNormals(1:3,s1), math_qRot(absoluteMisorientation, neighboringNormals(1:3,s2))) &
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cycle
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* abs(math_mul3x3(mySlipDirections(1:3,s1), math_qRot(absoluteMisorientation, neighboringSlipDirections(1:3,s2))))
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constitutive_nonlocal_compatibility(2,s2,s1,n,i,e) = &
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abs(math_mul3x3(myNormals(1:3,s1), math_qRot(absoluteMisorientation, neighboringNormals(1:3,s2)))) &
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* abs(math_mul3x3(mySlipDirections(1:3,s1), math_qRot(absoluteMisorientation, neighboringSlipDirections(1:3,s2))))
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enddo
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compatibilitySum = 0.0_pReal
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compatibilityMask = .true.
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do while ( (1.0_pReal - compatibilitySum > 0.0_pReal) .and. any(compatibilityMask) ) ! only those largest values that sum up to 1 are considered (round off of the smallest considered values to ensure sum to be exactly 1)
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compatibilityMax = maxval(constitutive_nonlocal_compatibility(2,1:neighboringNSlipSystems,s1,n,i,e), compatibilityMask) ! screws always positive
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compatibilityMaxCount = &
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dble(count(constitutive_nonlocal_compatibility(2,1:neighboringNSlipSystems,s1,n,i,e) == compatibilityMax))
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where (constitutive_nonlocal_compatibility(2,1:neighboringNSlipSystems,s1,n,i,e) >= compatibilityMax) &
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compatibilityMask = .false.
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if (compatibilitySum + compatibilityMax * compatibilityMaxCount > 1.0_pReal) & ! if compatibility sum exceeds 1...
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where (abs(constitutive_nonlocal_compatibility(1:2,1:neighboringNSlipSystems,s1,n,i,e)) == compatibilityMax) & ! ... equally distribute what is left
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constitutive_nonlocal_compatibility(1:2,1:neighboringNSlipSystems,s1,n,i,e) = &
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sign((1.0_pReal - compatibilitySum) / compatibilityMaxCount, &
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constitutive_nonlocal_compatibility(1:2,1:neighboringNSlipSystems,s1,n,i,e))
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compatibilitySum = compatibilitySum + compatibilityMaxCount * compatibilityMax
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enddo
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where (compatibilityMask) constitutive_nonlocal_compatibility(1,1:neighboringNSlipSystems,s1,n,i,e) = 0.0_pReal
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where (compatibilityMask) constitutive_nonlocal_compatibility(2,1:neighboringNSlipSystems,s1,n,i,e) = 0.0_pReal
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enddo
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else ! neighbor has different crystal structure
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constitutive_nonlocal_compatibility(:,:,:,n,i,e) = 0.0_pReal ! no compatibility
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endif
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else ! neighbor has local constitution
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constitutive_nonlocal_compatibility(:,:,:,n,i,e) = 0.0_pReal
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forall(s1 = 1:maxval(constitutive_nonlocal_totalNslip)) &
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constitutive_nonlocal_compatibility(1:2,s1,s1,n,i,e) = 1.0_pReal ! assume perfect compatibility for equal slip system index
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endif
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else ! no neighbor present
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constitutive_nonlocal_compatibility(:,:,:,n,i,e) = 0.0_pReal
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forall(s1 = 1:maxval(constitutive_nonlocal_totalNslip)) &
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constitutive_nonlocal_compatibility(1:2,s1,s1,n,i,e) = 1.0_pReal ! perfect compatibility for equal slip system index
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endif
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endif
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enddo
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!* PHASE BOUNDARY
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!* If we encounter a different nonlocal "cpfem" phase at the neighbor,
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!* we consider this to be a real "physical" phase boundary, so fully incompatible.
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!* If the neighboring "cpfem" phase has a local constitution,
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!* we do not consider this to be a phase boundary, so fully compatible.
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neighboring_phase = material_phase(1,neighboring_i,neighboring_e)
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if (neighboring_phase /= my_phase) then
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if (.not. phase_localConstitution(neighboring_phase)) then
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constitutive_nonlocal_compatibility(:,:,:,n,i,e) = 0.0_pReal
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endif
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cycle
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endif
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!* GRAIN BOUNDARY ?
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!* The compatibility value is defined as the product of the slip normal projection and the slip direction projection.
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!* Its sign is always positive for screws, for edges it has the same sign as the slip normal projection.
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!* Since the sum for each slip system can easily exceed one (which would result in a transmissivity larger than one),
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!* only values above or equal to a certain threshold value are considered. This threshold value is chosen, such that
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!* the number of compatible slip systems is minimized with the sum of the original compatibility values exceeding one.
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!* Finally the smallest compatibility value is decreased until the sum is exactly equal to one.
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!* All values below the threshold are set to zero.
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absoluteMisorientation = math_QuaternionDisorientation(orientation(1:4,1,i,e), &
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orientation(1:4,1,neighboring_i,neighboring_e), &
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0_pInt) ! no symmetry
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do s1 = 1,ns ! my slip systems
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do s2 = 1,ns ! my neighbor's slip systems
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compatibility(1,s2) = math_mul3x3(slipNormal(1:3,s1), math_qRot(absoluteMisorientation, slipNormal(1:3,s2))) &
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* abs(math_mul3x3(slipDirection(1:3,s1), math_qRot(absoluteMisorientation, slipDirection(1:3,s2))))
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compatibility(2,s2) = abs(math_mul3x3(slipNormal(1:3,s1), math_qRot(absoluteMisorientation, slipNormal(1:3,s2)))) &
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* abs(math_mul3x3(slipDirection(1:3,s1), math_qRot(absoluteMisorientation, slipDirection(1:3,s2))))
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enddo
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compatibilitySum = 0.0_pReal
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belowThreshold = .true.
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do while (compatibilitySum < 1.0_pReal .and. any(belowThreshold(1:ns)))
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thresholdValue = maxval(compatibility(2,1:ns), belowThreshold(1:ns)) ! screws always positive
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nThresholdValues = dble(count(compatibility(2,1:ns) == thresholdValue))
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where (compatibility(2,1:ns) >= thresholdValue) &
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belowThreshold(1:ns) = .false.
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if (compatibilitySum + thresholdValue * nThresholdValues > 1.0_pReal) &
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where (abs(compatibility(1:2,1:ns)) == thresholdValue) &
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compatibility(1:2,1:ns) = sign((1.0_pReal - compatibilitySum) / nThresholdValues, compatibility(1:2,1:ns))
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compatibilitySum = compatibilitySum + nThresholdValues * thresholdValue
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enddo
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where (belowThreshold(1:ns)) compatibility(1,1:ns) = 0.0_pReal
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where (belowThreshold(1:ns)) compatibility(2,1:ns) = 0.0_pReal
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constitutive_nonlocal_compatibility(1:2,1:ns,s1,n,i,e) = compatibility(1:2,1:ns)
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enddo ! my slip systems cycle
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enddo ! neighbor cycle
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endsubroutine
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endsubroutine
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