New output can be requested from crystallite:
(output) grainrotation it gives the deviation from the initial grain orientation in axis-angle representation with the angle in degrees.
This commit is contained in:
Claudio Zambaldi
parent
653837046e
commit
249042c2d3
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@ -38,7 +38,9 @@ real(pReal), dimension (:,:,:,:), allocatable :: &
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crystallite_Tstar0_v, & ! 2nd Piola-Kirchhoff stress vector at start of FE inc
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crystallite_partionedTstar0_v, & ! 2nd Piola-Kirchhoff stress vector at start of homog inc
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crystallite_subTstar0_v, & ! 2nd Piola-Kirchhoff stress vector at start of crystallite inc
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crystallite_orientation ! orientation as quaternion
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crystallite_orientation, & ! orientation as quaternion
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crystallite_orientation0, & ! initial orientation as quaternion
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crystallite_rotation ! grain rotation away from initial orientation as axis-angle (in degrees)
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real(pReal), dimension (:,:,:,:,:), allocatable :: &
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crystallite_Fe, & ! current "elastic" def grad (end of converged time step)
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crystallite_Fp, & ! current plastic def grad (end of converged time step)
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@ -145,6 +147,8 @@ subroutine crystallite_init(Temperature)
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allocate(crystallite_subFp0(3,3,gMax,iMax,eMax)); crystallite_subFp0 = 0.0_pReal
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allocate(crystallite_subLp0(3,3,gMax,iMax,eMax)); crystallite_subLp0 = 0.0_pReal
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allocate(crystallite_orientation(4,gMax,iMax,eMax)); crystallite_orientation = 0.0_pReal
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allocate(crystallite_orientation0(4,gMax,iMax,eMax)); crystallite_orientation = 0.0_pReal
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allocate(crystallite_rotation(4,gMax,iMax,eMax)); crystallite_rotation = 0.0_pReal
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allocate(crystallite_misorientation(4,nMax,gMax,iMax,eMax)); crystallite_misorientation = 0.0_pReal
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allocate(crystallite_subTstar0_v(6,gMax,iMax,eMax)); crystallite_subTstar0_v = 0.0_pReal
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allocate(crystallite_dPdF(3,3,3,3,gMax,iMax,eMax)); crystallite_dPdF = 0.0_pReal
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@ -204,10 +208,12 @@ subroutine crystallite_init(Temperature)
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mySize = 1
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case('volume')
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mySize = 1
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case('orientation')
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case('orientation') ! orientation as quaternion
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mySize = 4
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case('eulerangles')
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case('eulerangles') ! Bunge Euler angles
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mySize = 3
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case('grainrotation') ! Deviation from initial grain orientation in axis-angle form (angle in degrees)
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mySize = 4
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case('defgrad')
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mySize = 9
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case default
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@ -258,6 +264,8 @@ subroutine crystallite_init(Temperature)
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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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call crystallite_stressAndItsTangent(.true.) ! request elastic answers
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crystallite_fallbackdPdF = crystallite_dPdF ! use initial elastic stiffness as fallback
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@ -292,6 +300,8 @@ 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_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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write(6,'(a35,x,7(i5,x))') 'crystallite_subdt: ', shape(crystallite_subdt)
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@ -1508,6 +1518,7 @@ 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 material, only: material_phase, &
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homogenization_Ngrains, &
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phase_constitution, &
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@ -1548,7 +1559,7 @@ logical error
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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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! calculate orientation in terms of rotation matrix and euler angles
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call math_pDecomposition(crystallite_Fe(:,:,g,i,e), U, R, error) ! polar decomposition of Fe
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if (error) then
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@ -1557,18 +1568,8 @@ logical error
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else
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crystallite_orientation(:,g,i,e) = math_RtoQuaternion(R)
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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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!$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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if (homogenization_Ngrains(mesh_element(3,e)) == 1_pInt) then ! if single grain ip
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myPhase = material_phase(1,i,e) ! get my crystal structure
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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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@ -1578,8 +1579,26 @@ logical error
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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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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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enddo
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enddo
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enddo
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!$OMPEND PARALLEL DO
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!$OMP PARALLEL DO
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! Another loop for nonlocal material which uses the orientations from the first one.
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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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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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neighboring_e = mesh_ipNeighborhood(1,n,i,e)
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@ -1590,15 +1609,7 @@ 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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select case (myStructure) ! get type of symmetry
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case (1_pInt, 2_pInt) ! fcc and bcc:
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symmetryType = 1_pInt ! -> cubic symmetry
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case (3_pInt) ! hex:
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symmetryType = 2_pInt ! -> hexagonal symmetry
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case default
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symmetryType = 0_pInt
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end select
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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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@ -1634,7 +1645,8 @@ function crystallite_postResults(&
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!*** variables and functions from other modules ***!
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use prec, only: pInt, &
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pReal
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use math, only: math_QuaternionToEuler
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use math, only: math_QuaternionToEuler, &
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math_QuaternionToAxisAngle
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use mesh, only: mesh_element
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use material, only: microstructure_crystallite, &
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crystallite_Noutput, &
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@ -1675,13 +1687,20 @@ function crystallite_postResults(&
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crystallite_postResults(c+1) = material_volume(g,i,e) ! grain volume (not fraction but absolute, right?)
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c = c + 1_pInt
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case ('orientation')
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crystallite_postResults(c+1:c+4) = crystallite_orientation(:,g,i,e) ! grain orientation
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crystallite_postResults(c+1:c+4) = &
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crystallite_orientation(:,g,i,e) ! grain orientation
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c = c + 4_pInt
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case ('eulerangles')
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crystallite_postResults(c+1:c+3) = math_QuaternionToEuler(crystallite_orientation(:,g,i,e)) ! grain orientation
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crystallite_postResults(c+1:c+3) = &
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math_QuaternionToEuler(crystallite_orientation(:,g,i,e)) ! grain orientation
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c = c + 3_pInt
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case ('grainrotation')
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crystallite_postResults(c+1:c+4) = &
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math_QuaternionToAxisAngle(crystallite_rotation(:,g,i,e)) ! grain rotation away from initial orientation
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c = c + 4_pInt
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case ('defgrad')
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forall (k=0:2,l=0:2) crystallite_postResults(c+1+k*3+l) = crystallite_partionedF(k+1,l+1,g,i,e)
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forall (k=0:2,l=0:2) crystallite_postResults(c+1+k*3+l) = &
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crystallite_partionedF(k+1,l+1,g,i,e)
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c = c+9_pInt
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end select
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enddo
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@ -26,6 +26,9 @@ integer(pInt), parameter :: lattice_maxNslip = 48 ! max # of sli
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integer(pInt), parameter :: lattice_maxNtwin = 24 ! max # of twin systems over lattice structures
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integer(pInt), parameter :: lattice_maxNinteraction = 20 ! max # of interaction types (in hardening matrix part)
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integer(pInt), parameter, dimension(3) :: lattice_symmetryTypes =(/1, 1, 2/) ! maps crystal structures to symmetry tpyes
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integer(pInt), pointer, dimension(:,:) :: interactionSlipSlip, &
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interactionSlipTwin, &
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interactionTwinSlip, &
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@ -66,6 +66,7 @@ crystallite 1
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(output) volume
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(output) orientation
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(output) eulerangles
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(output) grainrotation # deviation from initial orientation as axis (1-3) and angle in degree (4)
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(output) defgrad
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#-------------------#
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