Merge branch 'use-Voigt-notation' into 'development'

use Voigt notation

See merge request damask/DAMASK!458

PRIVATE

@@ -1 +1 @@
-Subproject commit 277b4a693a57c1e4583bcf8ea2205f9b5d147198
+Subproject commit 76bb51348de75207d483d369628670e5ae51dca9

src/homogenization_mechanical_RGC.f90

@@ -643,16 +643,16 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
   !-------------------------------------------------------------------------------------------------
   !> @brief compute the equivalent shear and bulk moduli from the elasticity tensor
   !-------------------------------------------------------------------------------------------------
-  real(pReal) function equivalentMu(grainID,ce)
+  real(pReal) function equivalentMu(co,ce)
 
     integer, intent(in)    :: &
-      grainID,&
+      co,&
       ce
 
     real(pReal), dimension(6,6) :: C
 
 
-    C = phase_homogenizedC(material_phaseID(grainID,ce),material_phaseEntry(grainID,ce))
+    C = phase_homogenizedC66(material_phaseID(co,ce),material_phaseEntry(co,ce))                    ! damage not included!
     equivalentMu = lattice_equivalent_mu(C,'voigt')
 
   end function equivalentMu

src/lattice.f90

@@ -405,7 +405,7 @@ module lattice
 contains
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Module initialization
+!> @brief module initialization
 !--------------------------------------------------------------------------------------------------
 subroutine lattice_init
 
@@ -417,7 +417,7 @@ end subroutine lattice_init
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Characteristic shear for twinning
+!> @brief characteristic shear for twinning
 !--------------------------------------------------------------------------------------------------
 function lattice_characteristicShear_Twin(Ntwin,lattice,CoverA) result(characteristicShear)
 
@@ -491,7 +491,7 @@ end function lattice_characteristicShear_Twin
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Rotated elasticity matrices for twinning in 66-vector notation
+!> @brief rotated elasticity matrices for twinning in 6x6-matrix notation
 !--------------------------------------------------------------------------------------------------
 function lattice_C66_twin(Ntwin,C66,lattice,CoverA)
 
@@ -505,6 +505,7 @@ function lattice_C66_twin(Ntwin,C66,lattice,CoverA)
   type(rotation)                        :: R
   integer                               :: i
 
+
   select case(lattice)
     case('cF')
       coordinateSystem = buildCoordinateSystem(Ntwin,FCC_NSLIPSYSTEM,FCC_SYSTEMTWIN,&
@@ -521,14 +522,14 @@ function lattice_C66_twin(Ntwin,C66,lattice,CoverA)
 
   do i = 1, sum(Ntwin)
     call R%fromAxisAngle([coordinateSystem(1:3,2,i),PI],P=1)                                        ! ToDo: Why always 180 deg?
-    lattice_C66_twin(1:6,1:6,i) = R%rotTensor4sym(C66)
+    lattice_C66_twin(1:6,1:6,i) = math_3333toVoigt66(R%rotTensor4(math_Voigt66to3333(C66)))
   enddo
 
 end function lattice_C66_twin
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Rotated elasticity matrices for transformation in 66-vector notation
+!> @brief rotated elasticity matrices for transformation in 6x6-matrix notation
 !--------------------------------------------------------------------------------------------------
 function lattice_C66_trans(Ntrans,C_parent66,lattice_target, &
                            cOverA_trans,a_bcc,a_fcc)
@@ -580,14 +581,14 @@ function lattice_C66_trans(Ntrans,C_parent66,lattice_target, &
 
   do i = 1,sum(Ntrans)
     call R%fromMatrix(Q(1:3,1:3,i))
-    lattice_C66_trans(1:6,1:6,i) = R%rotTensor4sym(C_target_unrotated66)
+    lattice_C66_trans(1:6,1:6,i) = math_3333toVoigt66(R%rotTensor4(math_Voigt66to3333(C_target_unrotated66)))
   enddo
 
  end function lattice_C66_trans
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Non-schmid projections for bcc with up to 6 coefficients
+!> @brief non-Schmid projections for bcc with up to 6 coefficients
 ! Koester et al. 2012, Acta Materialia 60 (2012) 3894–3901, eq. (17)
 ! Gröger et al. 2008, Acta Materialia 56 (2008) 5412–5425, table 1
 !--------------------------------------------------------------------------------------------------
@@ -634,7 +635,7 @@ end function lattice_nonSchmidMatrix
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Slip-slip interaction matrix
+!> @brief slip-slip interaction matrix
 !> details only active slip systems are considered
 !--------------------------------------------------------------------------------------------------
 function lattice_interaction_SlipBySlip(Nslip,interactionValues,lattice) result(interactionMatrix)
@@ -882,7 +883,7 @@ end function lattice_interaction_SlipBySlip
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Twin-twin interaction matrix
+!> @brief twin-twin interaction matrix
 !> details only active twin systems are considered
 !--------------------------------------------------------------------------------------------------
 function lattice_interaction_TwinByTwin(Ntwin,interactionValues,lattice) result(interactionMatrix)
@@ -980,7 +981,7 @@ end function lattice_interaction_TwinByTwin
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Trans-trans interaction matrix
+!> @brief trans-trans interaction matrix
 !> details only active trans systems are considered
 !--------------------------------------------------------------------------------------------------
 function lattice_interaction_TransByTrans(Ntrans,interactionValues,lattice) result(interactionMatrix)
@@ -1022,7 +1023,7 @@ end function lattice_interaction_TransByTrans
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Slip-twin interaction matrix
+!> @brief slip-twin interaction matrix
 !> details only active slip and twin systems are considered
 !--------------------------------------------------------------------------------------------------
 function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,lattice) result(interactionMatrix)
@@ -1185,7 +1186,7 @@ end function lattice_interaction_SlipByTwin
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Slip-trans interaction matrix
+!> @brief slip-trans interaction matrix
 !> details only active slip and trans systems are considered
 !--------------------------------------------------------------------------------------------------
 function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,lattice) result(interactionMatrix)
@@ -1238,7 +1239,7 @@ function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,lattice)
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Twin-slip interaction matrix
+!> @brief twin-slip interaction matrix
 !> details only active twin and slip systems are considered
 !--------------------------------------------------------------------------------------------------
 function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,lattice) result(interactionMatrix)
@@ -1410,7 +1411,7 @@ end function lattice_SchmidMatrix_twin
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Schmid matrix for twinning
+!> @brief Schmid matrix for transformation
 !> details only active twin systems are considered
 !--------------------------------------------------------------------------------------------------
 function lattice_SchmidMatrix_trans(Ntrans,lattice_target,cOverA,a_bcc,a_fcc) result(SchmidMatrix)
@@ -1482,7 +1483,7 @@ end function lattice_SchmidMatrix_cleavage
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Slip direction of slip systems (|| b)
+!> @brief slip direction of slip systems (|| b)
 !--------------------------------------------------------------------------------------------------
 function lattice_slip_direction(Nslip,lattice,cOverA) result(d)
 
@@ -1500,7 +1501,7 @@ end function lattice_slip_direction
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Normal direction of slip systems (|| n)
+!> @brief normal direction of slip systems (|| n)
 !--------------------------------------------------------------------------------------------------
 function lattice_slip_normal(Nslip,lattice,cOverA) result(n)
 
@@ -1518,7 +1519,7 @@ end function lattice_slip_normal
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Transverse direction of slip systems (|| t = b x n)
+!> @brief transverse direction of slip systems (|| t = b x n)
 !--------------------------------------------------------------------------------------------------
 function lattice_slip_transverse(Nslip,lattice,cOverA) result(t)
 
@@ -1536,7 +1537,7 @@ end function lattice_slip_transverse
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Labels for slip systems
+!> @brief labels of slip systems
 !> details only active slip systems are considered
 !--------------------------------------------------------------------------------------------------
 function lattice_labels_slip(Nslip,lattice) result(labels)
@@ -1577,7 +1578,7 @@ end function lattice_labels_slip
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Return 3x3 tensor with symmetry according to given Bravais lattice
+!> @brief return 3x3 tensor with symmetry according to given Bravais lattice
 !--------------------------------------------------------------------------------------------------
 pure function lattice_symmetrize_33(T,lattice) result(T_sym)
 
@@ -1604,7 +1605,7 @@ end function lattice_symmetrize_33
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Return stiffness matrix in 6x6 notation with symmetry according to given Bravais lattice
+!> @brief return stiffness matrix in 6x6 notation with symmetry according to given Bravais lattice
 !> @details J. A. Rayne and B. S. Chandrasekhar Phys. Rev. 120, 1658 Erratum Phys. Rev. 122, 1962
 !--------------------------------------------------------------------------------------------------
 pure function lattice_symmetrize_C66(C66,lattice) result(C66_sym)
@@ -1650,7 +1651,7 @@ end function lattice_symmetrize_C66
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Labels for twin systems
+!> @brief labels of twin systems
 !> details only active twin systems are considered
 !--------------------------------------------------------------------------------------------------
 function lattice_labels_twin(Ntwin,lattice) result(labels)
@@ -1688,7 +1689,7 @@ end function lattice_labels_twin
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Projection of the transverse direction onto the slip plane
+!> @brief projection of the transverse direction onto the slip plane
 !> @details: This projection is used to calculate forest hardening for edge dislocations
 !--------------------------------------------------------------------------------------------------
 function slipProjection_transverse(Nslip,lattice,cOverA) result(projection)
@@ -1712,7 +1713,7 @@ end function slipProjection_transverse
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Projection of the slip direction onto the slip plane
+!> @brief projection of the slip direction onto the slip plane
 !> @details: This projection is used to calculate forest hardening for screw dislocations
 !--------------------------------------------------------------------------------------------------
 function slipProjection_direction(Nslip,lattice,cOverA) result(projection)
@@ -1778,7 +1779,7 @@ end function coordinateSystem_slip
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Populate reduced interaction matrix
+!> @brief populate reduced interaction matrix
 !--------------------------------------------------------------------------------------------------
 function buildInteraction(reacting_used,acting_used,reacting_max,acting_max,values,matrix)
 
@@ -1821,7 +1822,7 @@ end function buildInteraction
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Build a local coordinate system on slip, twin, trans, cleavage systems
+!> @brief build a local coordinate system on slip, twin, trans, cleavage systems
 !> @details Order: Direction, plane (normal), and common perpendicular
 !--------------------------------------------------------------------------------------------------
 function buildCoordinateSystem(active,potential,system,lattice,cOverA)
@@ -1888,7 +1889,7 @@ end function buildCoordinateSystem
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Helper function to define transformation systems
+!> @brief helper function to define transformation systems
 ! Needed to calculate Schmid matrix and rotated stiffness matrices.
 ! @details: set c/a   = 0.0 for fcc -> bcc transformation
 !           set a_Xcc = 0.0 for fcc -> hex transformation
@@ -2072,7 +2073,7 @@ end function getlabels
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Equivalent Poisson's ratio (ν)
+!> @brief equivalent Poisson's ratio (ν)
 !> @details https://doi.org/10.1143/JPSJ.20.635
 !--------------------------------------------------------------------------------------------------
 function lattice_equivalent_nu(C,assumption) result(nu)
@@ -2105,7 +2106,7 @@ end function lattice_equivalent_nu
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Equivalent shear modulus (μ)
+!> @brief equivalent shear modulus (μ)
 !> @details https://doi.org/10.1143/JPSJ.20.635
 !--------------------------------------------------------------------------------------------------
 function lattice_equivalent_mu(C,assumption) result(mu)
@@ -2134,7 +2135,7 @@ end function lattice_equivalent_mu
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Check correctness of some lattice functions.
+!> @brief check correctness of some lattice functions
 !--------------------------------------------------------------------------------------------------
 subroutine selfTest
 

src/math.f90

@@ -15,15 +15,15 @@ module math
   implicit none
   public
 #if __INTEL_COMPILER >= 1900
-  ! do not make use associated entities available to other modules
+  ! do not make use of associated entities available to other modules
   private :: &
     IO, &
     config
 #endif
 
   real(pReal),    parameter :: PI = acos(-1.0_pReal)                                                !< ratio of a circle's circumference to its diameter
-  real(pReal),    parameter :: INDEG = 180.0_pReal/PI                                               !< conversion from radian into degree
+  real(pReal),    parameter :: INDEG = 180.0_pReal/PI                                               !< conversion from radian to degree
-  real(pReal),    parameter :: INRAD = PI/180.0_pReal                                               !< conversion from degree into radian
+  real(pReal),    parameter :: INRAD = PI/180.0_pReal                                               !< conversion from degree to radian
   complex(pReal), parameter :: TWOPIIMG = cmplx(0.0_pReal,2.0_pReal*PI)                             !< Re(0.0), Im(2xPi)
 
   real(pReal), dimension(3,3), parameter :: &
@@ -822,7 +822,7 @@ end function math_sym3333to66
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief convert 66 matrix into symmetric 3x3x3x3 matrix
+!> @brief convert 6x6 matrix into symmetric 3x3x3x3 matrix
 !> @details Weighted conversion (default) rearranges according to Nye and weights shear
 ! components according to Mandel. Advisable for matrix operations.
 ! Unweighted conversion only rearranges order according to Nye
@@ -854,12 +854,13 @@ end function math_66toSym3333
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief convert 66 Voigt matrix into symmetric 3x3x3x3 matrix
+!> @brief convert 6x6 Voigt matrix into symmetric 3x3x3x3 matrix
 !--------------------------------------------------------------------------------------------------
 pure function math_Voigt66to3333(m66)
 
   real(pReal), dimension(3,3,3,3) :: math_Voigt66to3333
   real(pReal), dimension(6,6), intent(in) :: m66                                                    !< 6x6 matrix
+
   integer :: i,j
 
 
@@ -873,6 +874,31 @@ pure function math_Voigt66to3333(m66)
 end function math_Voigt66to3333
 
 
+!--------------------------------------------------------------------------------------------------
+!> @brief convert symmetric 3x3x3x3 matrix into 6x6 Voigt matrix
+!--------------------------------------------------------------------------------------------------
+pure function math_3333toVoigt66(m3333)
+
+  real(pReal), dimension(6,6)                 :: math_3333toVoigt66
+  real(pReal), dimension(3,3,3,3), intent(in) :: m3333                                              !< symmetric 3x3x3x3 matrix (no internal check)
+
+  integer :: i,j
+
+
+#ifndef __INTEL_COMPILER
+  do concurrent(i=1:6, j=1:6)
+    math_3333toVoigt66(i,j) = m3333(MAPVOIGT(1,i),MAPVOIGT(2,i),MAPVOIGT(1,j),MAPVOIGT(2,j))
+  end do
+#else
+  do i=1,6; do j=1,6
+    math_3333toVoigt66(i,j) = m3333(MAPVOIGT(1,i),MAPVOIGT(2,i),MAPVOIGT(1,j),MAPVOIGT(2,j))
+  end do; end do
+#endif
+
+end function math_3333toVoigt66
+
+
+
 !--------------------------------------------------------------------------------------------------
 !> @brief draw a random sample from Gauss variable
 !--------------------------------------------------------------------------------------------------
@@ -1261,6 +1287,9 @@ subroutine selfTest
   if (any(dNeq(math_sym3333to66(math_66toSym3333(t66)),t66,1.0e-15_pReal))) &
     error stop 'math_sym3333to66/math_66toSym3333'
 
+  if (any(dNeq(math_3333toVoigt66(math_Voigt66to3333(t66)),t66,1.0e-15_pReal))) &
+    error stop 'math_3333toVoigt66/math_Voigt66to3333'
+
   call random_number(v6)
   if (any(dNeq0(math_6toSym33(v6) - math_symmetric33(math_6toSym33(v6))))) &
     error stop 'math_symmetric33'

src/phase.f90

@@ -230,15 +230,15 @@ module phase
     end function phase_mechanical_constitutive
 
     !ToDo: Merge all the stiffness functions
-    module function phase_homogenizedC(ph,en) result(C)
+    module function phase_homogenizedC66(ph,en) result(C)
       integer, intent(in) :: ph, en
       real(pReal), dimension(6,6) :: C
-    end function phase_homogenizedC
+    end function phase_homogenizedC66
-    module function phase_damage_C(C_homogenized,ph,en) result(C)
+    module function phase_damage_C66(C66,ph,en) result(C66_degraded)
-      real(pReal), dimension(3,3,3,3), intent(in)  :: C_homogenized
+      real(pReal), dimension(6,6), intent(in)  :: C66
       integer,                     intent(in)  :: ph,en
-      real(pReal), dimension(3,3,3,3) :: C
+      real(pReal), dimension(6,6) :: C66_degraded
-    end function phase_damage_C
+    end function phase_damage_C66
 
     module function phase_f_phi(phi,co,ce) result(f)
       integer, intent(in) :: ce,co
@@ -299,7 +299,7 @@ module phase
 
   public :: &
     phase_init, &
-    phase_homogenizedC, &
+    phase_homogenizedC66, &
     phase_f_phi, &
     phase_f_T, &
     phase_K_phi, &

src/phase_damage.f90

@@ -139,6 +139,7 @@ module function phase_damage_constitutive(Delta_t,co,ip,el) result(converged_)
   integer :: &
     ph, en
 
+
   ph = material_phaseID(co,(el-1)*discretization_nIPs + ip)
   en = material_phaseEntry(co,(el-1)*discretization_nIPs + ip)
 
@@ -150,20 +151,21 @@ end function phase_damage_constitutive
 !--------------------------------------------------------------------------------------------------
 !> @brief returns the degraded/modified elasticity matrix
 !--------------------------------------------------------------------------------------------------
-module function phase_damage_C(C_homogenized,ph,en) result(C)
+module function phase_damage_C66(C66,ph,en) result(C66_degraded)
 
-  real(pReal), dimension(3,3,3,3), intent(in)  :: C_homogenized
+  real(pReal), dimension(6,6), intent(in)  :: C66
   integer,                     intent(in)  :: ph,en
-  real(pReal), dimension(3,3,3,3) :: C
+  real(pReal), dimension(6,6) :: C66_degraded
+
 
   damageType: select case (phase_damage(ph))
     case (DAMAGE_ISOBRITTLE_ID) damageType
-     C = C_homogenized * damage_phi(ph,en)**2
+     C66_degraded = C66 * damage_phi(ph,en)**2
     case default damageType
-     C = C_homogenized
+     C66_degraded = C66
   end select damageType
 
-end function phase_damage_C
+end function phase_damage_C66
 
 
 !--------------------------------------------------------------------------------------------------
@@ -417,7 +419,7 @@ function phase_damage_deltaState(Fe, ph, en) result(broken)
    sourceType: select case (phase_damage(ph))
 
     case (DAMAGE_ISOBRITTLE_ID) sourceType
-      call isobrittle_deltaState(phase_homogenizedC(ph,en), Fe, ph,en)
+      call isobrittle_deltaState(phase_homogenizedC66(ph,en), Fe, ph,en)
       broken = any(IEEE_is_NaN(damageState(ph)%deltaState(:,en)))
       if (.not. broken) then
         myOffset = damageState(ph)%offsetDeltaState

src/phase_damage_isobrittle.f90

@@ -96,6 +96,7 @@ end function isobrittle_init
 
 !--------------------------------------------------------------------------------------------------
 !> @brief calculates derived quantities from state
+! ToDo: Use Voigt directly
 !--------------------------------------------------------------------------------------------------
 module subroutine isobrittle_deltaState(C, Fe, ph,en)
 
@@ -109,13 +110,16 @@ module subroutine isobrittle_deltaState(C, Fe, ph,en)
     epsilon
   real(pReal) :: &
     r_W
+  real(pReal), dimension(6,6) :: &
+    C_sym
 
 
+  C_sym = math_sym3333to66(math_Voigt66to3333(C))
   epsilon = 0.5_pReal*math_sym33to6(matmul(transpose(Fe),Fe)-math_I3)
 
   associate(prm => param(ph), stt => state(ph), dlt => deltaState(ph))
 
-    r_W = 2.0_pReal*dot_product(epsilon,matmul(C,epsilon))/prm%W_crit
+    r_W = 2.0_pReal*dot_product(epsilon,matmul(C_sym,epsilon))/prm%W_crit
     dlt%r_W(en) = merge(r_W - stt%r_W(en), 0.0_pReal, r_W > stt%r_W(en))
 
   end associate

src/phase_mechanical_elastic.f90

@@ -15,7 +15,7 @@ submodule(phase:mechanical) elastic
 contains
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Initialize elasticity.
+!> @brief initialize elasticity
 !--------------------------------------------------------------------------------------------------
 module subroutine elastic_init(phases)
 
@@ -62,52 +62,30 @@ end subroutine elastic_init
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Return 6x6 elasticity tensor.
+!> @brief return 6x6 elasticity tensor
-!--------------------------------------------------------------------------------------------------
-function get_C66(ph,en)
-
-  integer, intent(in) :: &
-    ph, &
-    en
-  real(pReal), dimension(6,6) :: get_C66
-
-
-  associate(prm => param(ph))
-    get_C66 = 0.0_pReal
-    get_C66(1,1) = prm%C_11
-    get_C66(1,2) = prm%C_12
-    get_C66(4,4) = prm%C_44
-
-    if (any(phase_lattice(ph) == ['hP','tI'])) then
-      get_C66(1,3) = prm%C_13
-      get_C66(3,3) = prm%C_33
-    end if
-
-    if (phase_lattice(ph) == 'tI') get_C66(6,6) = prm%C_66
-
-    get_C66 = lattice_symmetrize_C66(get_C66,phase_lattice(ph))
-
-  end associate
-
-end function get_C66
-
-
-!--------------------------------------------------------------------------------------------------
-!> @brief Return 6x6 elasticity tensor.
 !--------------------------------------------------------------------------------------------------
 module function elastic_C66(ph,en) result(C66)
 
   integer, intent(in) :: &
     ph, &
     en
-  real(pReal), dimension(6,6) :: &
+  real(pReal), dimension(6,6) :: C66
-    C66
 
 
   associate(prm => param(ph))
+    C66 = 0.0_pReal
+    C66(1,1) = prm%C_11
+    C66(1,2) = prm%C_12
+    C66(4,4) = prm%C_44
 
-    C66 = get_C66(ph,en) 
+    if (any(phase_lattice(ph) == ['hP','tI'])) then
-    C66 = math_sym3333to66(math_Voigt66to3333(C66))                                                 ! Literature data is in Voigt notation
+      C66(1,3) = prm%C_13
+      C66(3,3) = prm%C_33
+    end if
+
+    if (phase_lattice(ph) == 'tI') C66(6,6) = prm%C_66
+
+    C66 = lattice_symmetrize_C66(C66,phase_lattice(ph))
 
   end associate
 
@@ -115,7 +93,7 @@ end function elastic_C66
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief Return shear modulus.
+!> @brief return shear modulus
 !--------------------------------------------------------------------------------------------------
 module function elastic_mu(ph,en) result(mu)
 
@@ -126,12 +104,13 @@ module function elastic_mu(ph,en) result(mu)
     mu
 
 
-    mu  = lattice_equivalent_mu(get_C66(ph,en),'voigt')
+  mu = lattice_equivalent_mu(elastic_C66(ph,en),'voigt')
 
 end function elastic_mu
 
+
 !--------------------------------------------------------------------------------------------------
-!> @brief Return Poisson ratio.
+!> @brief return Poisson ratio
 !--------------------------------------------------------------------------------------------------
 module function elastic_nu(ph,en) result(nu)
 
@@ -142,15 +121,16 @@ module function elastic_nu(ph,en) result(nu)
     nu
 
 
-    nu  = lattice_equivalent_nu(get_C66(ph,en),'voigt')
+  nu = lattice_equivalent_nu(elastic_C66(ph,en),'voigt')
 
 end function elastic_nu
 
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief returns the 2nd Piola-Kirchhoff stress tensor and its tangent with respect to
+!> @brief return the 2nd Piola-Kirchhoff stress tensor and its tangent with respect to
 !> the elastic and intermediate deformation gradients using Hooke's law
+! ToDo: Use Voigt matrix directly
 !--------------------------------------------------------------------------------------------------
 module subroutine phase_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
                                               Fe, Fi, ph, en)
@@ -173,8 +153,7 @@ module subroutine phase_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
     i, j
 
 
-  C = math_66toSym3333(phase_homogenizedC(ph,en))
+  C = math_Voigt66to3333(phase_damage_C66(phase_homogenizedC66(ph,en),ph,en))
-  C = phase_damage_C(C,ph,en)
 
   E = 0.5_pReal*(matmul(transpose(Fe),Fe)-math_I3)                                                  !< Green-Lagrange strain in unloaded configuration
   S = math_mul3333xx33(C,matmul(matmul(transpose(Fi),E),Fi))                                        !< 2PK stress in lattice configuration in work conjugate with GL strain pulled back to lattice configuration
@@ -188,10 +167,9 @@ end subroutine phase_hooke_SandItsTangents
 
 
 !--------------------------------------------------------------------------------------------------
-!> @brief returns the homogenized elasticity matrix
+!> @brief Return the homogenized elasticity matrix.
-!> ToDo: homogenizedC66 would be more consistent
 !--------------------------------------------------------------------------------------------------
-module function phase_homogenizedC(ph,en) result(C)
+module function phase_homogenizedC66(ph,en) result(C)
 
   real(pReal), dimension(6,6) :: C
   integer,      intent(in)    :: ph, en
@@ -204,7 +182,7 @@ module function phase_homogenizedC(ph,en) result(C)
      C = elastic_C66(ph,en)
   end select plasticType
 
-end function phase_homogenizedC
+end function phase_homogenizedC66
 
 
 end submodule elastic

src/phase_mechanical_plastic_dislotwin.f90

@@ -474,26 +474,26 @@ module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC)
     ph, en
   real(pReal), dimension(6,6) :: &
     homogenizedC, &
-    C66
+    C
   real(pReal), dimension(:,:,:), allocatable :: &
     C66_tw, &
     C66_tr
-
   integer :: i
   real(pReal) :: f_unrotated
 
-  associate(prm => param(ph), stt => state(ph))
 
-    C66       = elastic_C66(ph,en)
+  C = elastic_C66(ph,en)
+
+  associate(prm => param(ph), stt => state(ph))
 
     f_unrotated = 1.0_pReal &
                 - sum(stt%f_tw(1:prm%sum_N_tw,en)) &
                 - sum(stt%f_tr(1:prm%sum_N_tr,en))
 
-    homogenizedC = f_unrotated * C66
+    homogenizedC = f_unrotated * C
 
     twinActive: if (prm%sum_N_tw > 0) then
-      C66_tw    = lattice_C66_twin(prm%N_tw,C66,phase_lattice(ph),phase_cOverA(ph))
+      C66_tw    = lattice_C66_twin(prm%N_tw,C,phase_lattice(ph),phase_cOverA(ph))
       do i=1,prm%sum_N_tw
         homogenizedC = homogenizedC &
                      + stt%f_tw(i,en)*C66_tw(1:6,1:6,i)
@@ -501,7 +501,7 @@ module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC)
      end if twinActive
 
     transActive: if (prm%sum_N_tr > 0) then
-      C66_tr    = lattice_C66_trans(prm%N_tr,C66,prm%lattice_tr,0.0_pReal,prm%a_cI,prm%a_cF)
+      C66_tr    = lattice_C66_trans(prm%N_tr,C,prm%lattice_tr,0.0_pReal,prm%a_cI,prm%a_cF)
       do i=1,prm%sum_N_tr
         homogenizedC = homogenizedC &
                      + stt%f_tr(i,en)*C66_tr(1:6,1:6,i)

src/rotations.f90

@@ -75,7 +75,6 @@ module rotations
       procedure, public  :: rotVector
       procedure, public  :: rotTensor2
       procedure, public  :: rotTensor4
-      procedure, public  :: rotTensor4sym
       procedure, public  :: misorientation
       procedure, public  :: standardize
   end type rotation
@@ -371,27 +370,6 @@ pure function rotTensor4(self,T,active) result(tRot)
 end function rotTensor4
 
 
-!---------------------------------------------------------------------------------------------------
-!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
-!> @brief rotate a symmetric rank-4 tensor stored as (6,6) passively (default) or actively
-!! ToDo: Need to check active/passive !!!
-!---------------------------------------------------------------------------------------------------
-pure function rotTensor4sym(self,T,active) result(tRot)
-
-  real(pReal),                 dimension(6,6) :: tRot
-  class(rotation), intent(in)                 :: self
-  real(pReal),     intent(in), dimension(6,6) :: T
-  logical,         intent(in), optional       :: active
-
-  if (present(active)) then
-    tRot = math_sym3333to66(rotTensor4(self,math_66toSym3333(T),active))
-  else
-    tRot = math_sym3333to66(rotTensor4(self,math_66toSym3333(T)))
-  endif
-
-end function rotTensor4sym
-
-
 !---------------------------------------------------------------------------------------------------
 !> @brief misorientation
 !---------------------------------------------------------------------------------------------------
@@ -400,6 +378,7 @@ pure elemental function misorientation(self,other)
   type(rotation)              :: misorientation
   class(rotation), intent(in) :: self, other
 
+
   misorientation%q = multiply_quaternion(other%q, conjugate_quaternion(self%q))
 
 end function misorientation