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Martin Diehl
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0a621ece8b
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192bb6453d
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@ -1135,10 +1135,7 @@ module lattice
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real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: &
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lattice_C3333, lattice_trans_C3333
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real(pReal), dimension(:), allocatable, public, protected :: &
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lattice_mu, &
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lattice_nu, &
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lattice_trans_mu, &
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lattice_trans_nu
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lattice_mu, lattice_nu
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real(pReal), dimension(:,:,:,:), allocatable, public, protected :: & ! with higher-order parameters (e.g. temperature-dependent)
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lattice_thermalExpansion33
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real(pReal), dimension(:,:,:), allocatable, public, protected :: &
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@ -1292,8 +1289,6 @@ subroutine lattice_init
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allocate(lattice_mu(Nphases), source=0.0_pReal)
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allocate(lattice_nu(Nphases), source=0.0_pReal)
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allocate(lattice_trans_mu(Nphases), source=0.0_pReal)
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allocate(lattice_trans_nu(Nphases), source=0.0_pReal)
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allocate(lattice_NnonSchmid(Nphases), source=0_pInt)
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allocate(lattice_Sslip(3,3,1+2*lattice_maxNnonSchmid,lattice_maxNslip,Nphases),source=0.0_pReal)
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@ -1528,8 +1523,6 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
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select case(trans_lattice_structure(myPhase))
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case (LATTICE_bcc_ID)
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lattice_trans_C66(1:6,1:6,myPhase) = lattice_C66(1:6,1:6,myPhase)
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lattice_trans_mu(myPhase) = lattice_mu(myPhase)
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lattice_trans_nu(myPhase) = lattice_nu(myPhase)
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lattice_trans_C3333(1:3,1:3,1:3,1:3,myPhase) = lattice_C3333(1:3,1:3,1:3,1:3,myPhase)
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lattice_trans_C66(1:6,1:6,myPhase) = math_Mandel3333to66(lattice_trans_C3333(1:3,1:3,1:3,1:3,myPhase))
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do i = 1_pInt, 6_pInt
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@ -1554,15 +1547,6 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
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lattice_trans_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(trans_lattice_structure(myPhase),&
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lattice_trans_C66(1:6,1:6,myPhase))
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lattice_trans_mu(myPhase) = 0.2_pReal *( lattice_trans_C66(1,1,myPhase) &
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- lattice_trans_C66(1,2,myPhase) &
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+ 3.0_pReal*lattice_trans_C66(4,4,myPhase))
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lattice_trans_nu(myPhase) = ( lattice_trans_C66(1,1,myPhase) &
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+ 4.0_pReal*lattice_trans_C66(1,2,myPhase) &
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- 2.0_pReal*lattice_trans_C66(4,4,myPhase)) &
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/( 4.0_pReal*lattice_trans_C66(1,1,myPhase) &
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+ 6.0_pReal*lattice_trans_C66(1,2,myPhase) &
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+ 2.0_pReal*lattice_trans_C66(4,4,myPhase))
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lattice_trans_C3333(1:3,1:3,1:3,1:3,myPhase) = math_Voigt66to3333(lattice_trans_C66(1:6,1:6,myPhase))
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lattice_trans_C66(1:6,1:6,myPhase) = math_Mandel3333to66(lattice_trans_C3333(1:3,1:3,1:3,1:3,myPhase))
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do i = 1_pInt, 6_pInt
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@ -2090,24 +2074,42 @@ pure function lattice_qDisorientation(Q1, Q2, struct)
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end function lattice_qDisorientation
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!function lattice_C66_twin
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!
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! select case(structure)
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! case('fcc')
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! coordinateSystem = buildCoordinateSystem(Ntwin,int(LATTICE_FCC_SYSTEMTWIN,pInt),structure)
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! case('bcc')
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! coordinateSystem = buildCoordinateSystem(Ntwin,int(LATTICE_BCC_SYSTEMTWIN,pInt),structure)
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! case('hex','hexagonal') !ToDo: "No alias policy": long or short?
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! coordinateSystem = buildCoordinateSystem(Ntwin,int(LATTICE_HEX_SYSTEMTWIN,pInt),'hex',cOverA)
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! case default
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! call IO_error(130_pInt,ext_msg=trim(structure)//' (lattice_SchmidMatrix_twin)')
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! end select
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!
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! do i = 1, sum(Ntwin)
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! R = math_axisAngleToR(coordinateSystem(1:3,2,i), 180.0_pReal * INRAD) ! ToDo: Why always 180 deg?
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! math_rotate_forward3333(C,R)
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! C_twin66(1:6,1:6,i) = math_Mandel3333to66(C_twin)
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! enddo
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function lattice_C66_twin(Ntwin,C66,structure,CoverA)
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use IO, only: &
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IO_error
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use math, only: &
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INRAD, &
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math_axisAngleToR, &
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math_Mandel3333to66, &
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math_Mandel66to3333, &
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math_rotate_forward3333
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implicit none
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integer(pInt), dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
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character(len=*), intent(in) :: structure !< lattice structure
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real(pReal), dimension(6,6), intent(in) :: C66
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real(pReal), intent(in) :: cOverA
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real(pReal), dimension(6,6,sum(Ntwin)) :: lattice_C66_twin
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real(pReal), dimension(3,3,sum(Ntwin)) :: coordinateSystem
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real(pReal), dimension(3,3) :: R
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integer(pInt) :: i
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select case(structure)
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case('fcc')
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coordinateSystem = buildCoordinateSystem(Ntwin,int(LATTICE_FCC_SYSTEMTWIN,pInt),structure)
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case('bcc')
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coordinateSystem = buildCoordinateSystem(Ntwin,int(LATTICE_BCC_SYSTEMTWIN,pInt),structure)
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case('hex','hexagonal') !ToDo: "No alias policy": long or short?
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coordinateSystem = buildCoordinateSystem(Ntwin,int(LATTICE_HEX_SYSTEMTWIN,pInt),'hex',cOverA)
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case default
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call IO_error(130_pInt,ext_msg=trim(structure)//' (lattice_C66_twin)')
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end select
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do i = 1, sum(Ntwin)
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R = math_axisAngleToR(coordinateSystem(1:3,2,i), 180.0_pReal * INRAD) ! ToDo: Why always 180 deg?
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lattice_C66_twin(1:6,1:6,i) = math_Mandel3333to66(math_rotate_forward3333(math_Mandel66to3333(C66),R))
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enddo
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end function
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@ -2259,9 +2261,12 @@ end function lattice_interactionTransTrans2
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!> @brief Calculates Schmid matrix for active slip systems
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!--------------------------------------------------------------------------------------------------
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function lattice_SchmidMatrix_slip(Nslip,structure,cOverA) result(SchmidMatrix)
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use prec, only: &
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tol_math_check
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use IO, only: &
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IO_error
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use math, only: &
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math_trace33, &
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math_tensorproduct33
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implicit none
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