New array crystallite_symmetryID(i,g,e) is now filled during initialization run with 1 for bcc and fcc phase and 2 for hexagonal phase. The values are needed for misorientation calculations to apply the correct symmetry operators for cubic and hexagonal phases.
This commit is contained in:
Claudio Zambaldi
parent
249042c2d3
commit
cab2261693
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@ -24,6 +24,8 @@ integer(pInt) crystallite_maxSizePostResults
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integer(pInt), dimension(:), allocatable :: crystallite_sizePostResults
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integer(pInt), dimension(:,:), allocatable :: crystallite_sizePostResult
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character(len=64), dimension(:,:), allocatable :: crystallite_output ! name of each post result output
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integer(pInt), dimension (:,:,:), allocatable :: &
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crystallite_symmetryID ! crystallographic symmetry 1=cubic 2=hexagonal, needed in all orientation calcs
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real(pReal), dimension (:,:,:), allocatable :: &
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crystallite_dt, & ! requested time increment of each grain
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@ -94,6 +96,13 @@ subroutine crystallite_init(Temperature)
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mesh_maxNipNeighbors
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use IO
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use material
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use lattice, only: lattice_symmetryTypes
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use constitutive_phenopowerlaw, only: constitutive_phenopowerlaw_label, &
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constitutive_phenopowerlaw_structure
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use constitutive_dislotwin, only: constitutive_dislotwin_label, &
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constitutive_dislotwin_structure
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use constitutive_nonlocal, only: constitutive_nonlocal_label, &
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constitutive_nonlocal_structure
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implicit none
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integer(pInt), parameter :: file = 200
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@ -118,6 +127,9 @@ subroutine crystallite_init(Temperature)
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integer(pInt) section, j,p, output, mySize
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character(len=64) tag
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character(len=1024) line
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integer(pInt) myStructure, & ! lattice structure
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myPhase
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gMax = homogenization_maxNgrains
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iMax = mesh_maxNips
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@ -142,6 +154,7 @@ subroutine crystallite_init(Temperature)
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allocate(crystallite_partionedLp0(3,3,gMax,iMax,eMax)); crystallite_partionedLp0 = 0.0_pReal
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allocate(crystallite_partionedTstar0_v(6,gMax,iMax,eMax)); crystallite_partionedTstar0_v = 0.0_pReal
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allocate(crystallite_subTemperature0(gMax,iMax,eMax)); crystallite_subTemperature0 = 0.0_pReal
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allocate(crystallite_symmetryID(gMax,iMax,eMax)); crystallite_symmetryID = 0.0_pReal !NEW
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allocate(crystallite_subF(3,3,gMax,iMax,eMax)); crystallite_subF = 0.0_pReal
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allocate(crystallite_subF0(3,3,gMax,iMax,eMax)); crystallite_subF0 = 0.0_pReal
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allocate(crystallite_subFp0(3,3,gMax,iMax,eMax)); crystallite_subFp0 = 0.0_pReal
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@ -263,6 +276,30 @@ subroutine crystallite_init(Temperature)
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enddo
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!$OMPEND PARALLEL DO
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! Initialize crystallite_symmetryID(g,i,e)
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!$OMP PARALLEL DO
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
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do g = 1,homogenization_Ngrains(mesh_element(3,e))
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myPhase = material_phase(g,i,e)
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select case (phase_constitution(myPhase))
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case (constitutive_phenopowerlaw_label)
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myStructure = constitutive_phenopowerlaw_structure(phase_constitutionInstance(myPhase))
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case (constitutive_dislotwin_label)
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myStructure = constitutive_dislotwin_structure(phase_constitutionInstance(myPhase))
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case (constitutive_nonlocal_label)
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myStructure = constitutive_nonlocal_structure(phase_constitutionInstance(myPhase))
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case default
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myStructure = -1_pInt ! does this happen for j2 material?
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end select
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if (myStructure>0_pInt) then
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crystallite_symmetryID(g,i,e)=lattice_symmetryTypes(myStructure) ! structure = 1(fcc) or 2(bcc) => 1; 3(hex)=>2
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endif
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enddo
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enddo
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enddo
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!$OMPEND PARALLEL DO
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call crystallite_orientations()
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crystallite_orientation0=crystallite_orientation ! Store initial orientations for calculation of grain rotations
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@ -289,6 +326,7 @@ subroutine crystallite_init(Temperature)
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write(6,'(a35,x,7(i5,x))') 'crystallite_partionedLp0: ', shape(crystallite_partionedLp0)
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write(6,'(a35,x,7(i5,x))') 'crystallite_subF: ', shape(crystallite_subF)
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write(6,'(a35,x,7(i5,x))') 'crystallite_subTemperature0: ', shape(crystallite_subTemperature0)
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write(6,'(a35,x,7(i5,x))') 'crystallite_symmetryID: ', shape(crystallite_symmetryID) !NEW
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write(6,'(a35,x,7(i5,x))') 'crystallite_subF0: ', shape(crystallite_subF0)
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write(6,'(a35,x,7(i5,x))') 'crystallite_subFp0: ', shape(crystallite_subFp0)
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write(6,'(a35,x,7(i5,x))') 'crystallite_subLp0: ', shape(crystallite_subLp0)
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@ -300,7 +338,7 @@ subroutine crystallite_init(Temperature)
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write(6,'(a35,x,7(i5,x))') 'crystallite_dPdF: ', shape(crystallite_dPdF)
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write(6,'(a35,x,7(i5,x))') 'crystallite_fallbackdPdF: ', shape(crystallite_fallbackdPdF)
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write(6,'(a35,x,7(i5,x))') 'crystallite_orientation: ', shape(crystallite_orientation)
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write(6,'(a35,x,7(i5,x))') 'crystallite_orientation0: ', shape(crystallite_orientation)
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write(6,'(a35,x,7(i5,x))') 'crystallite_orientation0: ', shape(crystallite_orientation0)
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write(6,'(a35,x,7(i5,x))') 'crystallite_rotation: ', shape(crystallite_rotation)
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write(6,'(a35,x,7(i5,x))') 'crystallite_misorientation: ', shape(crystallite_misorientation)
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write(6,'(a35,x,7(i5,x))') 'crystallite_dt: ', shape(crystallite_dt)
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@ -1518,7 +1556,7 @@ use math, only: math_pDecomposition, &
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use FEsolving, only: FEsolving_execElem, &
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FEsolving_execIP
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use IO, only: IO_warning
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use lattice, only: lattice_symmetryTypes
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!use lattice, only: lattice_symmetryTypes
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use material, only: material_phase, &
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homogenization_Ngrains, &
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phase_constitution, &
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@ -1544,13 +1582,11 @@ integer(pInt) e, & ! element index
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i, & ! integration point index
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g, & ! grain index
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n, & ! neighbor index
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myPhase, & ! phase
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myStructure, & ! lattice structure
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myPhase, & ! phase
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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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neighboringPhase, & ! phase of my neighbor
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neighboringStructure, & ! lattice structure of my neighbor
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symmetryType ! type of crystal symmetry
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neighboringStructure ! lattice structure of my neighbor
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real(pReal), dimension(3,3) :: U, R
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logical error
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@ -1569,23 +1605,9 @@ logical error
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crystallite_orientation(:,g,i,e) = math_RtoQuaternion(R)
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endif
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myPhase = material_phase(g,i,e)
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select case (phase_constitution(myPhase))
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case (constitutive_phenopowerlaw_label)
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myStructure = constitutive_phenopowerlaw_structure(phase_constitutionInstance(myPhase))
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case (constitutive_dislotwin_label)
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myStructure = constitutive_dislotwin_structure(phase_constitutionInstance(myPhase))
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case (constitutive_nonlocal_label)
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myStructure = constitutive_nonlocal_structure(phase_constitutionInstance(myPhase))
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case default
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myStructure = ''
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end select
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! calculate grain rotation
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symmetryType=lattice_symmetryTypes(myStructure) ! structure = 1(fcc) or 2(bcc) => 1; 3(hex)=>2
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call math_misorientation( crystallite_rotation(:,g,i,e), &
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crystallite_orientation(:,g,i,e), crystallite_orientation0(:,g,i,e), &
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symmetryType)
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call math_misorientation( crystallite_rotation(:,g,i,e), & ! calculate grainrotation
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crystallite_orientation(:,g,i,e), crystallite_orientation0(:,g,i,e), &
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crystallite_symmetryID(g,i,e))
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enddo
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enddo
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@ -1598,8 +1620,8 @@ logical error
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
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myPhase = material_phase(1,i,e) ! get my crystal structure
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if (phase_constitution(myPhase) == constitutive_nonlocal_label) then ! if nonlocal model
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myStructure = constitutive_nonlocal_structure(phase_constitutionInstance(myPhase))
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do n = 1,FE_NipNeighbors(mesh_element(2,e)) ! loop through my neighbors
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do n = 1,FE_NipNeighbors(mesh_element(2,e)) ! loop through my neighbors
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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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@ -1609,11 +1631,10 @@ logical error
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neighboringPhase = material_phase(1,neighboring_i,neighboring_e) ! get my neighbor's crystal structure
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if (myPhase == neighboringPhase) then ! if my neighbor has same phase like me
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symmetryType=lattice_symmetryTypes(myStructure) ! structure = 1(fcc) or 2(bcc) => 1; 3(hex)=>2
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call math_misorientation( crystallite_misorientation(:,n,1,i,e), &
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crystallite_orientation(:,1,i,e), &
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crystallite_orientation(:,1,neighboring_i,neighboring_e), &
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symmetryType) ! calculate misorientation
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crystallite_symmetryID(g,i,e)) ! calculate misorientation
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else ! for neighbor with different phase
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crystallite_misorientation(:,n,1,i,e) = (/-1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal/) ! set misorientation to maximum
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