internal functions need no prefix and are located at the end
This commit is contained in:
Martin Diehl
parent
33dc44e512
commit
7e30c10e82
286
src/lattice.f90
286
src/lattice.f90
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@ -510,7 +510,7 @@ subroutine lattice_init
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real(pReal), dimension(:), allocatable :: &
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temp
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write(6,'(/,a)') ' <<<+- lattice init -+>>>'
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write(6,'(/,a)') ' <<<+- lattice init -+>>>'; flush(6)
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Nphases = size(config_phase)
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@ -567,7 +567,7 @@ subroutine lattice_init
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call IO_error(130,ext_msg='lattice_init')
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end select
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lattice_C66(1:6,1:6,p) = lattice_symmetrizeC66(lattice_structure(p),lattice_C66(1:6,1:6,p))
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lattice_C66(1:6,1:6,p) = symmetrizeC66(lattice_structure(p),lattice_C66(1:6,1:6,p))
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lattice_mu(p) = 0.2_pReal *(lattice_C66(1,1,p) -lattice_C66(1,2,p) +3.0_pReal*lattice_C66(4,4,p)) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
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lattice_nu(p) = ( lattice_C66(1,1,p) +4.0_pReal*lattice_C66(1,2,p) -2.0_pReal*lattice_C66(4,4,p)) &
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@ -602,16 +602,14 @@ subroutine lattice_init
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lattice_DamageDiffusion33(3,3,p) = config_phase(p)%getFloat( 'damage_diffusion33',defaultVal=0.0_pReal)
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lattice_DamageMobility(p) = config_phase(p)%getFloat( 'damage_mobility',defaultVal=0.0_pReal)
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call lattice_initializeStructure(p, CoverA)
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call initializeStructure(p, CoverA)
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enddo
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end subroutine lattice_init
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief !!!!!!!DEPRECTATED!!!!!!
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!--------------------------------------------------------------------------------------------------
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subroutine lattice_initializeStructure(myPhase,CoverA)
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subroutine initializeStructure(myPhase,CoverA)
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integer, intent(in) :: myPhase
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real(pReal), intent(in) :: &
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@ -621,13 +619,13 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
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i
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do i = 1,3
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lattice_thermalExpansion33 (1:3,1:3,i,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
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lattice_thermalExpansion33 (1:3,1:3,i,myPhase) = symmetrize33(lattice_structure(myPhase),&
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lattice_thermalExpansion33 (1:3,1:3,i,myPhase))
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enddo
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lattice_thermalConductivity33 (1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
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lattice_thermalConductivity33 (1:3,1:3,myPhase) = symmetrize33(lattice_structure(myPhase),&
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lattice_thermalConductivity33 (1:3,1:3,myPhase))
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lattice_DamageDiffusion33 (1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
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lattice_DamageDiffusion33 (1:3,1:3,myPhase) = symmetrize33(lattice_structure(myPhase),&
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lattice_DamageDiffusion33 (1:3,1:3,myPhase))
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select case(lattice_structure(myPhase))
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@ -654,115 +652,9 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
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end select
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end subroutine lattice_initializeStructure
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end subroutine initializeStructure
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!--------------------------------------------------------------------------------------------------
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!> @brief Symmetrizes stiffness matrix according to lattice type
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!> @details J. A. Rayne and B. S. Chandrasekhar Phys. Rev. 120, 1658 Erratum Phys. Rev. 122, 1962
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!--------------------------------------------------------------------------------------------------
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pure function lattice_symmetrizeC66(struct,C66)
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integer(kind(LATTICE_undefined_ID)), intent(in) :: struct
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real(pReal), dimension(6,6), intent(in) :: C66
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real(pReal), dimension(6,6) :: lattice_symmetrizeC66
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integer :: j,k
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lattice_symmetrizeC66 = 0.0_pReal
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select case(struct)
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case (LATTICE_iso_ID)
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do k=1,3
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do j=1,3
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lattice_symmetrizeC66(k,j) = C66(1,2)
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enddo
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lattice_symmetrizeC66(k,k) = C66(1,1)
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lattice_symmetrizeC66(k+3,k+3) = 0.5_pReal*(C66(1,1)-C66(1,2))
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enddo
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case (LATTICE_fcc_ID,LATTICE_bcc_ID)
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do k=1,3
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do j=1,3
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lattice_symmetrizeC66(k,j) = C66(1,2)
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enddo
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lattice_symmetrizeC66(k,k) = C66(1,1)
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lattice_symmetrizeC66(k+3,k+3) = C66(4,4)
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enddo
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case (LATTICE_hex_ID)
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lattice_symmetrizeC66(1,1) = C66(1,1)
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lattice_symmetrizeC66(2,2) = C66(1,1)
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lattice_symmetrizeC66(3,3) = C66(3,3)
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lattice_symmetrizeC66(1,2) = C66(1,2)
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lattice_symmetrizeC66(2,1) = C66(1,2)
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lattice_symmetrizeC66(1,3) = C66(1,3)
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lattice_symmetrizeC66(3,1) = C66(1,3)
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lattice_symmetrizeC66(2,3) = C66(1,3)
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lattice_symmetrizeC66(3,2) = C66(1,3)
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lattice_symmetrizeC66(4,4) = C66(4,4)
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lattice_symmetrizeC66(5,5) = C66(4,4)
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lattice_symmetrizeC66(6,6) = 0.5_pReal*(C66(1,1)-C66(1,2))
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case (LATTICE_ort_ID)
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lattice_symmetrizeC66(1,1) = C66(1,1)
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lattice_symmetrizeC66(2,2) = C66(2,2)
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lattice_symmetrizeC66(3,3) = C66(3,3)
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lattice_symmetrizeC66(1,2) = C66(1,2)
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lattice_symmetrizeC66(2,1) = C66(1,2)
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lattice_symmetrizeC66(1,3) = C66(1,3)
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lattice_symmetrizeC66(3,1) = C66(1,3)
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lattice_symmetrizeC66(2,3) = C66(2,3)
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lattice_symmetrizeC66(3,2) = C66(2,3)
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lattice_symmetrizeC66(4,4) = C66(4,4)
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lattice_symmetrizeC66(5,5) = C66(5,5)
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lattice_symmetrizeC66(6,6) = C66(6,6)
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case (LATTICE_bct_ID)
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lattice_symmetrizeC66(1,1) = C66(1,1)
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lattice_symmetrizeC66(2,2) = C66(1,1)
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lattice_symmetrizeC66(3,3) = C66(3,3)
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lattice_symmetrizeC66(1,2) = C66(1,2)
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lattice_symmetrizeC66(2,1) = C66(1,2)
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lattice_symmetrizeC66(1,3) = C66(1,3)
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lattice_symmetrizeC66(3,1) = C66(1,3)
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lattice_symmetrizeC66(2,3) = C66(1,3)
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lattice_symmetrizeC66(3,2) = C66(1,3)
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lattice_symmetrizeC66(4,4) = C66(4,4)
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lattice_symmetrizeC66(5,5) = C66(4,4)
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lattice_symmetrizeC66(6,6) = C66(6,6)
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case default
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lattice_symmetrizeC66 = C66
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end select
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end function lattice_symmetrizeC66
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!--------------------------------------------------------------------------------------------------
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!> @brief Symmetrizes 2nd order tensor according to lattice type
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!--------------------------------------------------------------------------------------------------
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pure function lattice_symmetrize33(struct,T33)
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integer(kind(LATTICE_undefined_ID)), intent(in) :: struct
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real(pReal), dimension(3,3), intent(in) :: T33
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real(pReal), dimension(3,3) :: lattice_symmetrize33
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integer :: k
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lattice_symmetrize33 = 0.0_pReal
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select case(struct)
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case (LATTICE_iso_ID,LATTICE_fcc_ID,LATTICE_bcc_ID)
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do k=1,3
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lattice_symmetrize33(k,k) = T33(1,1)
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enddo
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case (LATTICE_hex_ID)
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lattice_symmetrize33(1,1) = T33(1,1)
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lattice_symmetrize33(2,2) = T33(1,1)
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lattice_symmetrize33(3,3) = T33(3,3)
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case (LATTICE_ort_ID,lattice_bct_ID)
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lattice_symmetrize33(1,1) = T33(1,1)
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lattice_symmetrize33(2,2) = T33(2,2)
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lattice_symmetrize33(3,3) = T33(3,3)
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case default
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lattice_symmetrize33 = T33
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end select
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end function lattice_symmetrize33
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end subroutine lattice_init
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!--------------------------------------------------------------------------------------------------
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@ -920,7 +812,7 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
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C_target_unrotated66(1,3) = C_bar66(1,3)
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C_target_unrotated66(3,3) = C_bar66(3,3)
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C_target_unrotated66(4,4) = C_bar66(4,4) - C_bar66(1,4)**2.0_pReal/(0.5_pReal*(C_bar66(1,1) - C_bar66(1,2)))
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C_target_unrotated66 = lattice_symmetrizeC66(LATTICE_HEX_ID,C_target_unrotated66)
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C_target_unrotated66 = symmetrizeC66(LATTICE_HEX_ID,C_target_unrotated66)
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elseif (structure_target(1:3) == 'bcc') then
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if (a_bcc <= 0.0_pReal .or. a_fcc <= 0.0_pReal) &
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call IO_error(134,ext_msg='lattice_C66_trans: '//trim(structure_target))
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@ -1869,30 +1761,6 @@ function lattice_slip_transverse(Nslip,structure,cOverA) result(t)
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end function lattice_slip_transverse
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!--------------------------------------------------------------------------------------------------
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!> @brief Projection of the transverse direction onto the slip plane
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!> @details: This projection is used to calculate forest hardening for edge dislocations
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!--------------------------------------------------------------------------------------------------
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function slipProjection_transverse(Nslip,structure,cOverA) result(projection)
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integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
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character(len=*), intent(in) :: structure !< lattice structure
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real(pReal), intent(in) :: cOverA !< c/a ratio
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real(pReal), dimension(sum(Nslip),sum(Nslip)) :: projection
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real(pReal), dimension(3,sum(Nslip)) :: n, t
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integer :: i, j
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n = lattice_slip_normal (Nslip,structure,cOverA)
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t = lattice_slip_transverse(Nslip,structure,cOverA)
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do i=1, sum(Nslip); do j=1, sum(Nslip)
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projection(i,j) = abs(math_inner(n(:,i),t(:,j)))
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enddo; enddo
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end function slipProjection_transverse
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!--------------------------------------------------------------------------------------------------
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!> @brief Labels for slip systems
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!> details only active slip systems are considered
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@ -1978,6 +1846,30 @@ function lattice_labels_twin(Ntwin,structure) result(labels)
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end function lattice_labels_twin
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!--------------------------------------------------------------------------------------------------
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!> @brief Projection of the transverse direction onto the slip plane
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!> @details: This projection is used to calculate forest hardening for edge dislocations
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!--------------------------------------------------------------------------------------------------
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function slipProjection_transverse(Nslip,structure,cOverA) result(projection)
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integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
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character(len=*), intent(in) :: structure !< lattice structure
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real(pReal), intent(in) :: cOverA !< c/a ratio
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real(pReal), dimension(sum(Nslip),sum(Nslip)) :: projection
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real(pReal), dimension(3,sum(Nslip)) :: n, t
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integer :: i, j
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n = lattice_slip_normal (Nslip,structure,cOverA)
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t = lattice_slip_transverse(Nslip,structure,cOverA)
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do i=1, sum(Nslip); do j=1, sum(Nslip)
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projection(i,j) = abs(math_inner(n(:,i),t(:,j)))
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enddo; enddo
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end function slipProjection_transverse
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!--------------------------------------------------------------------------------------------------
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!> @brief Projection of the slip direction onto the slip plane
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!> @details: This projection is used to calculate forest hardening for screw dislocations
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@ -2002,6 +1894,114 @@ function slipProjection_direction(Nslip,structure,cOverA) result(projection)
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end function slipProjection_direction
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!--------------------------------------------------------------------------------------------------
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!> @brief Symmetrizes 2nd order tensor according to lattice type
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!--------------------------------------------------------------------------------------------------
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pure function symmetrize33(struct,T33)
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integer(kind(LATTICE_undefined_ID)), intent(in) :: struct
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real(pReal), dimension(3,3), intent(in) :: T33
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real(pReal), dimension(3,3) :: symmetrize33
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integer :: k
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symmetrize33 = 0.0_pReal
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select case(struct)
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case (LATTICE_iso_ID,LATTICE_fcc_ID,LATTICE_bcc_ID)
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do k=1,3
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symmetrize33(k,k) = T33(1,1)
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enddo
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case (LATTICE_hex_ID)
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symmetrize33(1,1) = T33(1,1)
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symmetrize33(2,2) = T33(1,1)
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symmetrize33(3,3) = T33(3,3)
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case (LATTICE_ort_ID,lattice_bct_ID)
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symmetrize33(1,1) = T33(1,1)
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symmetrize33(2,2) = T33(2,2)
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symmetrize33(3,3) = T33(3,3)
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case default
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symmetrize33 = T33
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end select
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end function symmetrize33
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!--------------------------------------------------------------------------------------------------
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!> @brief Symmetrizes stiffness matrix according to lattice type
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!> @details J. A. Rayne and B. S. Chandrasekhar Phys. Rev. 120, 1658 Erratum Phys. Rev. 122, 1962
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!--------------------------------------------------------------------------------------------------
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pure function symmetrizeC66(struct,C66)
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integer(kind(LATTICE_undefined_ID)), intent(in) :: struct
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real(pReal), dimension(6,6), intent(in) :: C66
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real(pReal), dimension(6,6) :: symmetrizeC66
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integer :: j,k
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symmetrizeC66 = 0.0_pReal
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select case(struct)
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case (LATTICE_iso_ID)
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do k=1,3
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do j=1,3
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symmetrizeC66(k,j) = C66(1,2)
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enddo
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symmetrizeC66(k,k) = C66(1,1)
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symmetrizeC66(k+3,k+3) = 0.5_pReal*(C66(1,1)-C66(1,2))
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enddo
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case (LATTICE_fcc_ID,LATTICE_bcc_ID)
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do k=1,3
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do j=1,3
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symmetrizeC66(k,j) = C66(1,2)
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enddo
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symmetrizeC66(k,k) = C66(1,1)
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symmetrizeC66(k+3,k+3) = C66(4,4)
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enddo
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case (LATTICE_hex_ID)
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symmetrizeC66(1,1) = C66(1,1)
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symmetrizeC66(2,2) = C66(1,1)
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symmetrizeC66(3,3) = C66(3,3)
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symmetrizeC66(1,2) = C66(1,2)
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symmetrizeC66(2,1) = C66(1,2)
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symmetrizeC66(1,3) = C66(1,3)
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symmetrizeC66(3,1) = C66(1,3)
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symmetrizeC66(2,3) = C66(1,3)
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symmetrizeC66(3,2) = C66(1,3)
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symmetrizeC66(4,4) = C66(4,4)
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symmetrizeC66(5,5) = C66(4,4)
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symmetrizeC66(6,6) = 0.5_pReal*(C66(1,1)-C66(1,2))
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case (LATTICE_ort_ID)
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symmetrizeC66(1,1) = C66(1,1)
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symmetrizeC66(2,2) = C66(2,2)
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symmetrizeC66(3,3) = C66(3,3)
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symmetrizeC66(1,2) = C66(1,2)
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symmetrizeC66(2,1) = C66(1,2)
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symmetrizeC66(1,3) = C66(1,3)
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symmetrizeC66(3,1) = C66(1,3)
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symmetrizeC66(2,3) = C66(2,3)
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symmetrizeC66(3,2) = C66(2,3)
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symmetrizeC66(4,4) = C66(4,4)
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symmetrizeC66(5,5) = C66(5,5)
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symmetrizeC66(6,6) = C66(6,6)
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case (LATTICE_bct_ID)
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symmetrizeC66(1,1) = C66(1,1)
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symmetrizeC66(2,2) = C66(1,1)
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symmetrizeC66(3,3) = C66(3,3)
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symmetrizeC66(1,2) = C66(1,2)
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symmetrizeC66(2,1) = C66(1,2)
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symmetrizeC66(1,3) = C66(1,3)
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symmetrizeC66(3,1) = C66(1,3)
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symmetrizeC66(2,3) = C66(1,3)
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symmetrizeC66(3,2) = C66(1,3)
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symmetrizeC66(4,4) = C66(4,4)
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symmetrizeC66(5,5) = C66(4,4)
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symmetrizeC66(6,6) = C66(6,6)
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case default
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symmetrizeC66 = C66
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end select
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end function symmetrizeC66
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!--------------------------------------------------------------------------------------------------
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!> @brief build a local coordinate system on slip systems
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!> @details Order: Direction, plane (normal), and common perpendicular
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Reference in New Issue