public functions first
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Martin Diehl
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0c70eefb91
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178
src/lattice.f90
178
src/lattice.f90
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@ -1684,95 +1684,6 @@ function lattice_labels_slip(Nslip,structure) result(labels)
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end function lattice_labels_slip
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end function lattice_labels_slip
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!--------------------------------------------------------------------------------------------------
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!> @brief Labels for twin systems
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!> details only active twin systems are considered
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!--------------------------------------------------------------------------------------------------
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function lattice_labels_twin(Ntwin,structure) result(labels)
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integer, dimension(:), intent(in) :: Ntwin !< number of active slip systems per family
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character(len=*), intent(in) :: structure !< lattice structure
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character(len=:), dimension(:), allocatable :: labels
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real(pReal), dimension(:,:), allocatable :: twinSystems
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integer, dimension(:), allocatable :: NtwinMax
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if (len_trim(structure) /= 3) &
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call IO_error(137,ext_msg='lattice_labels_twin: '//trim(structure))
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select case(structure)
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case('fcc')
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NtwinMax = LATTICE_FCC_NTWINSYSTEM
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twinSystems = LATTICE_FCC_SYSTEMTWIN
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case('bcc')
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NtwinMax = LATTICE_BCC_NTWINSYSTEM
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twinSystems = LATTICE_BCC_SYSTEMTWIN
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case('hex')
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NtwinMax = LATTICE_HEX_NTWINSYSTEM
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twinSystems = LATTICE_HEX_SYSTEMTWIN
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case default
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call IO_error(137,ext_msg='lattice_labels_twin: '//trim(structure))
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end select
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if (any(NtwinMax(1:size(Ntwin)) - Ntwin < 0)) &
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call IO_error(145,ext_msg='Ntwin '//trim(structure))
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if (any(Ntwin < 0)) &
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call IO_error(144,ext_msg='Ntwin '//trim(structure))
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labels = getLabels(Ntwin,NtwinMax,twinSystems)
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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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!--------------------------------------------------------------------------------------------------
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function slipProjection_direction(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, d
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integer :: i, j
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n = lattice_slip_normal (Nslip,structure,cOverA)
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d = lattice_slip_direction(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),d(:,j)))
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enddo; enddo
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end function slipProjection_direction
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!> @brief Symmetrizes 2nd order tensor according to lattice type
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!> @brief Symmetrizes 2nd order tensor according to lattice type
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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@ -1891,6 +1802,95 @@ function symmetrizeC66(C66,structure) result(C66_sym)
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end function symmetrizeC66
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end function symmetrizeC66
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!--------------------------------------------------------------------------------------------------
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!> @brief Labels for twin systems
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!> details only active twin systems are considered
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!--------------------------------------------------------------------------------------------------
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function lattice_labels_twin(Ntwin,structure) result(labels)
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integer, dimension(:), intent(in) :: Ntwin !< number of active slip systems per family
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character(len=*), intent(in) :: structure !< lattice structure
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character(len=:), dimension(:), allocatable :: labels
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real(pReal), dimension(:,:), allocatable :: twinSystems
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integer, dimension(:), allocatable :: NtwinMax
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if (len_trim(structure) /= 3) &
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call IO_error(137,ext_msg='lattice_labels_twin: '//trim(structure))
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select case(structure)
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case('fcc')
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NtwinMax = LATTICE_FCC_NTWINSYSTEM
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twinSystems = LATTICE_FCC_SYSTEMTWIN
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case('bcc')
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NtwinMax = LATTICE_BCC_NTWINSYSTEM
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twinSystems = LATTICE_BCC_SYSTEMTWIN
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case('hex')
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NtwinMax = LATTICE_HEX_NTWINSYSTEM
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twinSystems = LATTICE_HEX_SYSTEMTWIN
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case default
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call IO_error(137,ext_msg='lattice_labels_twin: '//trim(structure))
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end select
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if (any(NtwinMax(1:size(Ntwin)) - Ntwin < 0)) &
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call IO_error(145,ext_msg='Ntwin '//trim(structure))
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if (any(Ntwin < 0)) &
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call IO_error(144,ext_msg='Ntwin '//trim(structure))
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labels = getLabels(Ntwin,NtwinMax,twinSystems)
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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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!--------------------------------------------------------------------------------------------------
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function slipProjection_direction(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, d
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integer :: i, j
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n = lattice_slip_normal (Nslip,structure,cOverA)
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d = lattice_slip_direction(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),d(:,j)))
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enddo; enddo
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end function slipProjection_direction
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!> @brief build a local coordinate system on slip systems
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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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!> @details Order: Direction, plane (normal), and common perpendicular
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