fortran fast storage of interaction matrices
This commit is contained in:
Martin Diehl
parent
0cdcc4de11
commit
18fe8c34ee
275
src/lattice.f90
275
src/lattice.f90
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@ -8,8 +8,7 @@
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!--------------------------------------------------------------------------------------------------
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module lattice
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use prec, only: &
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pReal, &
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pInt
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pReal
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implicit none
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private
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@ -110,7 +109,7 @@ module lattice
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10,11 &
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],shape(LATTICE_FCC_TWINNUCLEATIONSLIPPAIR))
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real(pReal), dimension(3+3,LATTICE_fcc_Ncleavage), parameter, private :: &
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real(pReal), dimension(3+3,LATTICE_FCC_NCLEAVAGE), parameter, private :: &
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LATTICE_FCC_SYSTEMCLEAVAGE = reshape(real([&
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! Cleavage direction Plane normal
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0, 1, 0, 1, 0, 0, &
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@ -193,7 +192,7 @@ module lattice
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character(len=*), dimension(1), parameter, private :: LATTICE_BCC_TWINFAMILY_NAME = &
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['<1 1 1>{2 1 1}']
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real(pReal), dimension(3+3,LATTICE_bcc_Ncleavage), parameter, private :: &
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real(pReal), dimension(3+3,LATTICE_BCC_NCLEAVAGE), parameter, private :: &
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LATTICE_BCC_SYSTEMCLEAVAGE = reshape(real([&
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! Cleavage direction Plane normal
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0, 1, 0, 1, 0, 0, &
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@ -219,7 +218,7 @@ module lattice
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LATTICE_HEX_NCLEAVAGESYSTEM = [3] !< # of cleavage systems per family for hex
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integer, parameter, private :: &
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LATTICE_HEX_NSLIP = sum(LATTICE_HEX_NSLIPSystem), & !< total # of slip systems for hex
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LATTICE_HEX_NSLIP = sum(LATTICE_HEX_NSLIPSYSTEM), & !< total # of slip systems for hex
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LATTICE_HEX_NTWIN = sum(LATTICE_HEX_NTWINSYSTEM), & !< total # of twin systems for hex
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LATTICE_HEX_NCLEAVAGE = sum(LATTICE_HEX_NCLEAVAGESYSTEM) !< total # of cleavage systems for hex
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@ -419,41 +418,43 @@ module lattice
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!--------------------------------------------------------------------------------------------------
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! isotropic
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integer, dimension(1), parameter, private :: &
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LATTICE_iso_NcleavageSystem = [3] !< # of cleavage systems per family for iso
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LATTICE_ISO_NCLEAVAGESYSTEM = [3] !< # of cleavage systems per family for iso
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integer, parameter, private :: &
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LATTICE_iso_Ncleavage = sum(lattice_iso_NcleavageSystem) !< total # of cleavage systems for iso
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LATTICE_ISO_NCLEAVAGE = sum(LATTICE_ISO_NCLEAVAGESYSTEM) !< total # of cleavage systems for iso
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real(pReal), dimension(3+3,LATTICE_iso_Ncleavage), parameter, private :: &
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LATTICE_iso_systemCleavage = reshape(real([&
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real(pReal), dimension(3+3,LATTICE_ISO_NCLEAVAGE), parameter, private :: &
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LATTICE_ISO_SYSTEMCLEAVAGE= reshape(real([&
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! Cleavage direction Plane normal
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0, 1, 0, 1, 0, 0, &
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0, 0, 1, 0, 1, 0, &
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1, 0, 0, 0, 0, 1 &
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],pReal),[ 3 + 3,LATTICE_iso_Ncleavage])
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],pReal),[ 3 + 3,LATTICE_ISO_NCLEAVAGE])
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!--------------------------------------------------------------------------------------------------
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! orthorhombic
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integer, dimension(3), parameter, private :: &
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LATTICE_ort_NcleavageSystem = [1, 1, 1] !< # of cleavage systems per family for ortho
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LATTICE_ORT_NCLEAVAGESYSTEM = [1, 1, 1] !< # of cleavage systems per family for ortho
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integer, parameter, private :: &
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LATTICE_ort_Ncleavage = sum(lattice_ort_NcleavageSystem) !< total # of cleavage systems for ortho
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LATTICE_ORT_NCLEAVAGE = sum(LATTICE_ORT_NCLEAVAGESYSTEM) !< total # of cleavage systems for ortho
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real(pReal), dimension(3+3,LATTICE_ort_Ncleavage), parameter, private :: &
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LATTICE_ort_systemCleavage = reshape(real([&
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real(pReal), dimension(3+3,LATTICE_ORT_NCLEAVAGE), parameter, private :: &
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LATTICE_ORT_SYSTEMCLEAVAGE = reshape(real([&
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! Cleavage direction Plane normal
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0, 1, 0, 1, 0, 0, &
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0, 0, 1, 0, 1, 0, &
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1, 0, 0, 0, 0, 1 &
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],pReal),[ 3 + 3,LATTICE_ort_Ncleavage])
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],pReal),[ 3 + 3,LATTICE_ORT_NCLEAVAGE])
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! BEGIN DEPRECATED
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integer, parameter, public :: &
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LATTICE_maxNcleavage = max(LATTICE_fcc_Ncleavage,LATTICE_bcc_Ncleavage, &
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LATTICE_hex_Ncleavage, &
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LATTICE_iso_Ncleavage,LATTICE_ort_Ncleavage) !< max # of cleavage systems over lattice structures
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LATTICE_iso_Ncleavage,LATTICE_ort_Ncleavage)
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!END DEPRECATED
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real(pReal), dimension(:,:,:), allocatable, public, protected :: &
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@ -514,12 +515,12 @@ module lattice
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lattice_SchmidMatrix_trans, &
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lattice_SchmidMatrix_cleavage, &
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lattice_nonSchmidMatrix, &
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lattice_interaction_SlipSlip, &
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lattice_interaction_TwinTwin, &
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lattice_interaction_TransTrans, &
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lattice_interaction_SlipTwin, &
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lattice_interaction_SlipTrans, &
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lattice_interaction_TwinSlip, &
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lattice_interaction_SlipBySlip, &
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lattice_interaction_TwinByTwin, &
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lattice_interaction_TransByTrans, &
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lattice_interaction_SlipByTwin, &
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lattice_interaction_SlipByTrans, &
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lattice_interaction_TwinBySlip, &
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lattice_characteristicShear_Twin, &
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lattice_C66_twin, &
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lattice_C66_trans, &
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@ -551,7 +552,6 @@ subroutine lattice_init
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temp, &
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CoverA !< c/a ratio for low symmetry type lattice
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write(6,'(/,a)') ' <<<+- lattice init -+>>>'
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Nphases = size(config_phase)
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@ -1010,6 +1010,7 @@ function lattice_characteristicShear_Twin(Ntwin,structure,CoverA) result(charact
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character(len=3), 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(Ntwin)) :: characteristicShear
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integer :: &
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a, & !< index of active system
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c, & !< index in complete system list
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@ -1098,7 +1099,6 @@ function lattice_C66_twin(Ntwin,C66,structure,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 :: i
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@ -1128,7 +1128,6 @@ end function lattice_C66_twin
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!--------------------------------------------------------------------------------------------------
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!> @brief Rotated elasticity matrices for transformation in 66-vector notation
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!> ToDo: Completely untested and incomplete and undocumented
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!--------------------------------------------------------------------------------------------------
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function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
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CoverA_trans,a_bcc,a_fcc)
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@ -1147,12 +1146,12 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
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implicit none
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integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
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character(len=*), intent(in) :: &
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structure_target !< lattice structure
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character(len=*), intent(in) :: structure_target !< lattice structure
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real(pReal), dimension(6,6), intent(in) :: C_parent66
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real(pReal), dimension(6,6,sum(Ntrans)) :: lattice_C66_trans
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real(pReal), dimension(6,6) :: C_bar66, C_target_unrotated66
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real(pReal), dimension(3,3,3,3) :: C_target_unrotated
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real(pReal), dimension(6,6,sum(Ntrans)) :: lattice_C66_trans
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real(pReal), dimension(3,3,sum(Ntrans)) :: Q,S
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real(pReal) :: a_bcc, a_fcc, CoverA_trans
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integer :: i
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@ -1220,8 +1219,7 @@ function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSc
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real(pReal), dimension(1:3,1:3,sum(Nslip)) :: nonSchmidMatrix
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real(pReal), dimension(1:3,1:3,sum(Nslip)) :: coordinateSystem !< coordinate system of slip system
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real(pReal), dimension(:), allocatable :: &
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direction, normal, np
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real(pReal), dimension(:), allocatable :: direction, normal, np
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integer :: i
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if (abs(sense) /= 1) call IO_error(0,ext_msg='lattice_nonSchmidMatrix')
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@ -1256,7 +1254,7 @@ end function lattice_nonSchmidMatrix
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!> @brief Slip-slip interaction matrix
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!> details only active slip systems are considered
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!--------------------------------------------------------------------------------------------------
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function lattice_interaction_SlipSlip(Nslip,interactionValues,structure) result(interactionMatrix)
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function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) result(interactionMatrix)
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use IO, only: &
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IO_error
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@ -1271,10 +1269,10 @@ function lattice_interaction_SlipSlip(Nslip,interactionValues,structure) result(
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integer, dimension(LATTICE_FCC_NSLIP,LATTICE_FCC_NSLIP), parameter :: &
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FCC_INTERACTIONSLIPSLIP = reshape( [&
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1, 2, 2, 4, 6, 5, 3, 5, 5, 4, 5, 6, 9,10, 9,10,11,12, & ! ---> slip
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2, 1, 2, 6, 4, 5, 5, 4, 6, 5, 3, 5, 9,10,11,12, 9,10, & ! |
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2, 2, 1, 5, 5, 3, 5, 6, 4, 6, 5, 4, 11,12, 9,10, 9,10, & ! |
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4, 6, 5, 1, 2, 2, 4, 5, 6, 3, 5, 5, 9,10,10, 9,12,11, & ! v slip
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1, 2, 2, 4, 6, 5, 3, 5, 5, 4, 5, 6, 9,10, 9,10,11,12, &
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2, 1, 2, 6, 4, 5, 5, 4, 6, 5, 3, 5, 9,10,11,12, 9,10, &
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2, 2, 1, 5, 5, 3, 5, 6, 4, 6, 5, 4, 11,12, 9,10, 9,10, &
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4, 6, 5, 1, 2, 2, 4, 5, 6, 3, 5, 5, 9,10,10, 9,12,11, &
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6, 4, 5, 2, 1, 2, 5, 3, 5, 5, 4, 6, 9,10,12,11,10, 9, &
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5, 5, 3, 2, 2, 1, 6, 5, 4, 5, 6, 4, 11,12,10, 9,10, 9, &
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3, 5, 5, 4, 5, 6, 1, 2, 2, 4, 6, 5, 10, 9,10, 9,11,12, &
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@ -1290,7 +1288,7 @@ function lattice_interaction_SlipSlip(Nslip,interactionValues,structure) result(
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10,12,10, 9,11, 9, 9,11, 9,10,12,10, 8, 8, 7, 1, 8, 8, &
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11, 9, 9,12,10,10,11, 9, 9,12,10,10, 8, 8, 8, 8, 1, 7, &
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12,10,10,11, 9, 9,12,10,10,11, 9, 9, 8, 8, 8, 8, 7, 1 &
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],shape(FCC_INTERACTIONSLIPSLIP),order=[2,1]) !< Slip--slip interaction types for fcc
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],shape(FCC_INTERACTIONSLIPSLIP)) !< Slip--slip interaction types for fcc
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!< 1: self interaction
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!< 2: coplanar interaction
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!< 3: collinear interaction
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@ -1306,10 +1304,10 @@ function lattice_interaction_SlipSlip(Nslip,interactionValues,structure) result(
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integer, dimension(LATTICE_BCC_NSLIP,LATTICE_BCC_NSLIP), parameter :: &
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BCC_INTERACTIONSLIPSLIP = reshape( [&
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1,2,6,6,5,4,4,3,4,3,5,4, 6,6,4,3,3,4,6,6,4,3,6,6, & ! ---> slip
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2,1,6,6,4,3,5,4,5,4,4,3, 6,6,3,4,4,3,6,6,3,4,6,6, & ! |
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6,6,1,2,4,5,3,4,4,5,3,4, 4,3,6,6,6,6,3,4,6,6,4,3, & ! |
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6,6,2,1,3,4,4,5,3,4,4,5, 3,4,6,6,6,6,4,3,6,6,3,4, & ! v slip
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1,2,6,6,5,4,4,3,4,3,5,4, 6,6,4,3,3,4,6,6,4,3,6,6, &
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2,1,6,6,4,3,5,4,5,4,4,3, 6,6,3,4,4,3,6,6,3,4,6,6, &
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6,6,1,2,4,5,3,4,4,5,3,4, 4,3,6,6,6,6,3,4,6,6,4,3, &
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6,6,2,1,3,4,4,5,3,4,4,5, 3,4,6,6,6,6,4,3,6,6,3,4, &
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5,4,4,3,1,2,6,6,3,4,5,4, 3,6,4,6,6,4,6,3,4,6,3,6, &
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4,3,5,4,2,1,6,6,4,5,4,3, 4,6,3,6,6,3,6,4,3,6,4,6, &
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4,5,3,4,6,6,1,2,5,4,3,4, 6,3,6,4,4,6,3,6,6,4,6,3, &
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@ -1331,7 +1329,7 @@ function lattice_interaction_SlipSlip(Nslip,interactionValues,structure) result(
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3,4,6,6,6,6,4,3,4,3,6,6, 6,5,6,3,3,5,6,6,6,1,5,6, &
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6,6,4,3,3,4,6,6,3,4,6,6, 3,6,5,6,6,6,5,3,6,5,1,6, &
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6,6,3,4,6,6,3,4,6,6,3,4, 6,3,6,5,6,6,3,5,5,6,6,1 &
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],shape(BCC_INTERACTIONSLIPSLIP),order=[2,1]) !< Slip--slip interaction types for bcc from Queyreau et al. Int J Plast 25 (2009) 361–377
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],shape(BCC_INTERACTIONSLIPSLIP)) !< Slip--slip interaction types for bcc from Queyreau et al. Int J Plast 25 (2009) 361–377
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!< 1: self interaction
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!< 2: coplanar interaction
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!< 3: collinear interaction
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@ -1341,10 +1339,10 @@ function lattice_interaction_SlipSlip(Nslip,interactionValues,structure) result(
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integer, dimension(LATTICE_HEX_NSLIP,LATTICE_HEX_NSLIP), parameter :: &
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HEX_INTERACTIONSLIPSLIP = reshape( [&
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1, 2, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! ---> slip
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2, 1, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! |
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2, 2, 1, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! |
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! v slip
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1, 2, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, &
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2, 1, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, &
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2, 2, 1, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, &
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!
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6, 6, 6, 4, 5, 5, 8, 8, 8, 14,14,14,14,14,14, 22,22,22,22,22,22,22,22,22,22,22,22, 32,32,32,32,32,32, &
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6, 6, 6, 5, 4, 5, 8, 8, 8, 14,14,14,14,14,14, 22,22,22,22,22,22,22,22,22,22,22,22, 32,32,32,32,32,32, &
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6, 6, 6, 5, 5, 4, 8, 8, 8, 14,14,14,14,14,14, 22,22,22,22,22,22,22,22,22,22,22,22, 32,32,32,32,32,32, &
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@ -1379,7 +1377,7 @@ function lattice_interaction_SlipSlip(Nslip,interactionValues,structure) result(
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42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,36,37,37, &
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42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,37,36,37, &
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42,42,42, 41,41,41, 40,40,40, 39,39,39,39,39,39, 38,38,38,38,38,38,38,38,38,38,38,38, 37,37,37,37,37,36 &
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],shape(HEX_INTERACTIONSLIPSLIP),order=[2,1]) !< Slip--slip interaction types for hex (onion peel naming scheme)
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],shape(HEX_INTERACTIONSLIPSLIP)) !< Slip--slip interaction types for hex (onion peel naming scheme)
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integer, dimension(LATTICE_BCT_NSLIP,LATTICE_BCT_NSLIP), parameter :: &
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BCT_INTERACTIONSLIPSLIP = reshape( [&
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@ -1447,11 +1445,11 @@ function lattice_interaction_SlipSlip(Nslip,interactionValues,structure) result(
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182,182, 181,181, 180,180, 179,179,179,179, 178,178, 177,177,177,177, 176,176, 175,175, 174,174,174,174, 173,173,173,173,173,173,173,173, 172, 172, 172, 172, 171,171,171,171,171,171,171,171, 169,170,170,170,170,169,170,170, &
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182,182, 181,181, 180,180, 179,179,179,179, 178,178, 177,177,177,177, 176,176, 175,175, 174,174,174,174, 173,173,173,173,173,173,173,173, 172, 172, 172, 172, 171,171,171,171,171,171,171,171, 169,170,170,170,170,170,169,170, &
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182,182, 181,181, 180,180, 179,179,179,179, 178,178, 177,177,177,177, 176,176, 175,175, 174,174,174,174, 173,173,173,173,173,173,173,173, 172, 172, 172, 172, 171,171,171,171,171,171,171,171, 169,170,170,170,170,170,170,169 &
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],shape(BCT_INTERACTIONSLIPSLIP),order=[2,1])
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],shape(BCT_INTERACTIONSLIPSLIP))
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if (len_trim(structure) /= 3) &
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call IO_error(137,ext_msg='lattice_interaction_SlipSlip: '//trim(structure))
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call IO_error(137,ext_msg='lattice_interaction_SlipBySlip: '//trim(structure))
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select case(structure(1:3))
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case('fcc')
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@ -1467,19 +1465,19 @@ function lattice_interaction_SlipSlip(Nslip,interactionValues,structure) result(
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interactionTypes = BCT_INTERACTIONSLIPSLIP
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NslipMax = LATTICE_BCT_NSLIPSYSTEM
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case default
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call IO_error(137,ext_msg='lattice_interaction_SlipSlip: '//trim(structure))
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call IO_error(137,ext_msg='lattice_interaction_SlipBySlip: '//trim(structure))
|
||||
end select
|
||||
|
||||
interactionMatrix = buildInteraction(Nslip,Nslip,NslipMax,NslipMax,interactionValues,interactionTypes)
|
||||
|
||||
end function lattice_interaction_SlipSlip
|
||||
end function lattice_interaction_SlipBySlip
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Twin-twin interaction matrix
|
||||
!> details only active twin systems are considered
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_interaction_TwinTwin(Ntwin,interactionValues,structure) result(interactionMatrix)
|
||||
function lattice_interaction_TwinByTwin(Ntwin,interactionValues,structure) result(interactionMatrix)
|
||||
use IO, only: &
|
||||
IO_error
|
||||
|
||||
|
|
@ -1494,10 +1492,10 @@ function lattice_interaction_TwinTwin(Ntwin,interactionValues,structure) result(
|
|||
|
||||
integer, dimension(LATTICE_FCC_NTWIN,LATTICE_FCC_NTWIN), parameter :: &
|
||||
FCC_INTERACTIONTWINTWIN = reshape( [&
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, & ! ---> twin
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, & ! |
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, & ! |
|
||||
2,2,2,1,1,1,2,2,2,2,2,2, & ! v twin
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, &
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, &
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, &
|
||||
2,2,2,1,1,1,2,2,2,2,2,2, &
|
||||
2,2,2,1,1,1,2,2,2,2,2,2, &
|
||||
2,2,2,1,1,1,2,2,2,2,2,2, &
|
||||
2,2,2,2,2,2,1,1,1,2,2,2, &
|
||||
|
|
@ -1506,14 +1504,14 @@ function lattice_interaction_TwinTwin(Ntwin,interactionValues,structure) result(
|
|||
2,2,2,2,2,2,2,2,2,1,1,1, &
|
||||
2,2,2,2,2,2,2,2,2,1,1,1, &
|
||||
2,2,2,2,2,2,2,2,2,1,1,1 &
|
||||
],shape(FCC_INTERACTIONTWINTWIN),order=[2,1]) !< Twin-twin interaction types for fcc
|
||||
],shape(FCC_INTERACTIONTWINTWIN)) !< Twin-twin interaction types for fcc
|
||||
|
||||
integer, dimension(LATTICE_BCC_NTWIN,LATTICE_BCC_NTWIN), parameter :: &
|
||||
BCC_INTERACTIONTWINTWIN = reshape( [&
|
||||
1,3,3,3,3,3,3,2,3,3,2,3, & ! ---> twin
|
||||
3,1,3,3,3,3,2,3,3,3,3,2, & ! |
|
||||
3,3,1,3,3,2,3,3,2,3,3,3, & ! |
|
||||
3,3,3,1,2,3,3,3,3,2,3,3, & ! v twin
|
||||
1,3,3,3,3,3,3,2,3,3,2,3, &
|
||||
3,1,3,3,3,3,2,3,3,3,3,2, &
|
||||
3,3,1,3,3,2,3,3,2,3,3,3, &
|
||||
3,3,3,1,2,3,3,3,3,2,3,3, &
|
||||
3,3,3,2,1,3,3,3,3,2,3,3, &
|
||||
3,3,2,3,3,1,3,3,2,3,3,3, &
|
||||
3,2,3,3,3,3,1,3,3,3,3,2, &
|
||||
|
|
@ -1522,16 +1520,16 @@ function lattice_interaction_TwinTwin(Ntwin,interactionValues,structure) result(
|
|||
3,3,3,2,2,3,3,3,3,1,3,3, &
|
||||
2,3,3,3,3,3,3,2,3,3,1,3, &
|
||||
3,2,3,3,3,3,2,3,3,3,3,1 &
|
||||
],shape(BCC_INTERACTIONTWINTWIN),order=[2,1]) !< Twin-twin interaction types for bcc
|
||||
],shape(BCC_INTERACTIONTWINTWIN)) !< Twin-twin interaction types for bcc
|
||||
!< 1: self interaction
|
||||
!< 2: collinear interaction
|
||||
!< 3: other interaction
|
||||
integer, dimension(LATTICE_HEX_NTWIN,LATTICE_HEX_NTWIN), parameter :: &
|
||||
HEX_INTERACTIONTWINTWIN = reshape( [&
|
||||
1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! ---> twin
|
||||
2, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! |
|
||||
2, 2, 1, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! |
|
||||
2, 2, 2, 1, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! v twin
|
||||
1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, &
|
||||
2, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, &
|
||||
2, 2, 1, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, &
|
||||
2, 2, 2, 1, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, &
|
||||
2, 2, 2, 2, 1, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, &
|
||||
2, 2, 2, 2, 2, 1, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, &
|
||||
!
|
||||
|
|
@ -1555,10 +1553,10 @@ function lattice_interaction_TwinTwin(Ntwin,interactionValues,structure) result(
|
|||
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,17,16,17,17, &
|
||||
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,17,17,16,17, &
|
||||
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,17,17,17,16 &
|
||||
],shape(HEX_INTERACTIONTWINTWIN),order=[2,1]) !< Twin-twin interaction types for hex
|
||||
],shape(HEX_INTERACTIONTWINTWIN)) !< Twin-twin interaction types for hex
|
||||
|
||||
if (len_trim(structure) /= 3) &
|
||||
call IO_error(137,ext_msg='lattice_interaction_TwinTwin: '//trim(structure))
|
||||
call IO_error(137,ext_msg='lattice_interaction_TwinByTwin: '//trim(structure))
|
||||
|
||||
select case(structure(1:3))
|
||||
case('fcc')
|
||||
|
|
@ -1571,19 +1569,19 @@ function lattice_interaction_TwinTwin(Ntwin,interactionValues,structure) result(
|
|||
interactionTypes = HEX_INTERACTIONTWINTWIN
|
||||
NtwinMax = LATTICE_HEX_NTWINSYSTEM
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_interaction_TwinTwin: '//trim(structure))
|
||||
call IO_error(137,ext_msg='lattice_interaction_TwinByTwin: '//trim(structure))
|
||||
end select
|
||||
|
||||
interactionMatrix = buildInteraction(Ntwin,Ntwin,NtwinMax,NtwinMax,interactionValues,interactionTypes)
|
||||
|
||||
end function lattice_interaction_TwinTwin
|
||||
end function lattice_interaction_TwinByTwin
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Trans-trans interaction matrix
|
||||
!> details only active trans systems are considered
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_interaction_TransTrans(Ntrans,interactionValues,structure) result(interactionMatrix)
|
||||
function lattice_interaction_TransByTrans(Ntrans,interactionValues,structure) result(interactionMatrix)
|
||||
use IO, only: &
|
||||
IO_error
|
||||
|
||||
|
|
@ -1598,10 +1596,10 @@ function lattice_interaction_TransTrans(Ntrans,interactionValues,structure) resu
|
|||
|
||||
integer, dimension(LATTICE_FCC_NTRANS,LATTICE_FCC_NTRANS), parameter :: &
|
||||
FCC_INTERACTIONTRANSTRANS = reshape( [&
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, & ! ---> trans
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, & ! |
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, & ! |
|
||||
2,2,2,1,1,1,2,2,2,2,2,2, & ! v trans
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, &
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, &
|
||||
1,1,1,2,2,2,2,2,2,2,2,2, &
|
||||
2,2,2,1,1,1,2,2,2,2,2,2, &
|
||||
2,2,2,1,1,1,2,2,2,2,2,2, &
|
||||
2,2,2,1,1,1,2,2,2,2,2,2, &
|
||||
2,2,2,2,2,2,1,1,1,2,2,2, &
|
||||
|
|
@ -1610,28 +1608,28 @@ function lattice_interaction_TransTrans(Ntrans,interactionValues,structure) resu
|
|||
2,2,2,2,2,2,2,2,2,1,1,1, &
|
||||
2,2,2,2,2,2,2,2,2,1,1,1, &
|
||||
2,2,2,2,2,2,2,2,2,1,1,1 &
|
||||
],shape(FCC_INTERACTIONTRANSTRANS),order=[2,1]) !< Trans-trans interaction types for fcc
|
||||
],shape(FCC_INTERACTIONTRANSTRANS)) !< Trans-trans interaction types for fcc
|
||||
|
||||
if (len_trim(structure) /= 3) &
|
||||
call IO_error(137,ext_msg='lattice_interaction_TransTrans: '//trim(structure))
|
||||
call IO_error(137,ext_msg='lattice_interaction_TransByTrans: '//trim(structure))
|
||||
|
||||
if(structure(1:3) == 'fcc') then
|
||||
interactionTypes = FCC_INTERACTIONTRANSTRANS
|
||||
NtransMax = LATTICE_FCC_NTRANSSYSTEM
|
||||
else
|
||||
call IO_error(137,ext_msg='lattice_interaction_TransTrans: '//trim(structure))
|
||||
call IO_error(137,ext_msg='lattice_interaction_TransByTrans: '//trim(structure))
|
||||
end if
|
||||
|
||||
interactionMatrix = buildInteraction(Ntrans,Ntrans,NtransMax,NtransMax,interactionValues,interactionTypes)
|
||||
|
||||
end function lattice_interaction_TransTrans
|
||||
end function lattice_interaction_TransByTrans
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Slip-twin interaction matrix
|
||||
!> details only active slip and twin systems are considered
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_interaction_SlipTwin(Nslip,Ntwin,interactionValues,structure) result(interactionMatrix)
|
||||
function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure) result(interactionMatrix)
|
||||
use IO, only: &
|
||||
IO_error
|
||||
|
||||
|
|
@ -1640,15 +1638,15 @@ function lattice_interaction_SlipTwin(Nslip,Ntwin,interactionValues,structure) r
|
|||
Ntwin !< number of active twin systems per family
|
||||
real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-twin interaction
|
||||
character(len=*), intent(in) :: structure !< lattice structure
|
||||
real(pReal), dimension(sum(Nslip),sum(Ntwin)) :: interactionMatrix
|
||||
real(pReal), dimension(sum(Ntwin),sum(Nslip)) :: interactionMatrix
|
||||
|
||||
integer, dimension(:), allocatable :: NslipMax, &
|
||||
NtwinMax
|
||||
integer, dimension(:,:), allocatable :: interactionTypes
|
||||
|
||||
integer, dimension(LATTICE_FCC_NSLIP,LATTICE_FCC_NTWIN), parameter :: &
|
||||
integer, dimension(LATTICE_FCC_NTWIN,LATTICE_FCC_NSLIP), parameter :: &
|
||||
FCC_INTERACTIONSLIPTWIN = reshape( [&
|
||||
1,1,1,3,3,3,2,2,2,3,3,3, & ! ---> twin
|
||||
1,1,1,3,3,3,2,2,2,3,3,3, & ! -----> twin
|
||||
1,1,1,3,3,3,3,3,3,2,2,2, & ! |
|
||||
1,1,1,2,2,2,3,3,3,3,3,3, & ! |
|
||||
3,3,3,1,1,1,3,3,3,2,2,2, & ! v slip
|
||||
|
|
@ -1667,13 +1665,13 @@ function lattice_interaction_SlipTwin(Nslip,Ntwin,interactionValues,structure) r
|
|||
4,4,4,4,4,4,4,4,4,4,4,4, &
|
||||
4,4,4,4,4,4,4,4,4,4,4,4, &
|
||||
4,4,4,4,4,4,4,4,4,4,4,4 &
|
||||
],shape(FCC_INTERACTIONSLIPTWIN),order=[2,1]) !< Slip-twin interaction types for fcc
|
||||
],shape(FCC_INTERACTIONSLIPTWIN)) !< Slip-twin interaction types for fcc
|
||||
!< 1: coplanar interaction
|
||||
!< 2: screw trace between slip system and twin habit plane (easy cross slip)
|
||||
!< 3: other interaction
|
||||
integer, dimension(LATTICE_BCC_NSLIP,LATTICE_BCC_NTWIN), parameter :: &
|
||||
integer, dimension(LATTICE_BCC_NTWIN,LATTICE_BCC_NSLIP), parameter :: &
|
||||
BCC_INTERACTIONSLIPTWIN = reshape( [&
|
||||
3,3,3,2,2,3,3,3,3,2,3,3, & ! ---> twin
|
||||
3,3,3,2,2,3,3,3,3,2,3,3, & ! -----> twin
|
||||
3,3,2,3,3,2,3,3,2,3,3,3, & ! |
|
||||
3,2,3,3,3,3,2,3,3,3,3,2, & ! |
|
||||
2,3,3,3,3,3,3,2,3,3,2,3, & ! v slip
|
||||
|
|
@ -1698,13 +1696,13 @@ function lattice_interaction_SlipTwin(Nslip,Ntwin,interactionValues,structure) r
|
|||
3,3,3,2,2,3,3,3,3,1,3,3, &
|
||||
2,3,3,3,3,3,3,2,3,3,1,3, &
|
||||
3,2,3,3,3,3,2,3,3,3,3,1 &
|
||||
],shape(BCC_INTERACTIONSLIPTWIN),order=[2,1]) !< Slip-twin interaction types for bcc
|
||||
],shape(BCC_INTERACTIONSLIPTWIN)) !< Slip-twin interaction types for bcc
|
||||
!< 1: coplanar interaction
|
||||
!< 2: screw trace between slip system and twin habit plane (easy cross slip)
|
||||
!< 3: other interaction
|
||||
integer, dimension(LATTICE_HEX_NSLIP,LATTICE_HEX_NTWIN), parameter :: &
|
||||
integer, dimension(LATTICE_HEX_NTWIN,LATTICE_HEX_NSLIP), parameter :: &
|
||||
HEX_INTERACTIONSLIPTWIN = reshape( [&
|
||||
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! --> twin
|
||||
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! ----> twin
|
||||
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! |
|
||||
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! |
|
||||
! v
|
||||
|
|
@ -1743,10 +1741,10 @@ function lattice_interaction_SlipTwin(Nslip,Ntwin,interactionValues,structure) r
|
|||
21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24, &
|
||||
21,21,21,21,21,21, 22,22,22,22,22,22, 23,23,23,23,23,23, 24,24,24,24,24,24 &
|
||||
!
|
||||
],shape(HEX_INTERACTIONSLIPTWIN),order=[2,1]) !< Slip-twin interaction types for hex
|
||||
],shape(HEX_INTERACTIONSLIPTWIN)) !< Slip-twin interaction types for hex
|
||||
|
||||
if (len_trim(structure) /= 3) &
|
||||
call IO_error(137,ext_msg='lattice_interaction_SlipTwin: '//trim(structure))
|
||||
call IO_error(137,ext_msg='lattice_interaction_SlipByTwin: '//trim(structure))
|
||||
|
||||
select case(structure(1:3))
|
||||
case('fcc')
|
||||
|
|
@ -1762,19 +1760,19 @@ function lattice_interaction_SlipTwin(Nslip,Ntwin,interactionValues,structure) r
|
|||
NslipMax = LATTICE_HEX_NSLIPSYSTEM
|
||||
NtwinMax = LATTICE_HEX_NTWINSYSTEM
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_interaction_SlipTwin: '//trim(structure))
|
||||
call IO_error(137,ext_msg='lattice_interaction_SlipByTwin: '//trim(structure))
|
||||
end select
|
||||
|
||||
interactionMatrix = buildInteraction(Nslip,Ntwin,NslipMax,NtwinMax,interactionValues,interactionTypes)
|
||||
interactionMatrix = buildInteraction(Ntwin,Nslip,NtwinMax,NslipMax,interactionValues,interactionTypes)
|
||||
|
||||
end function lattice_interaction_SlipTwin
|
||||
end function lattice_interaction_SlipByTwin
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Slip-trans interaction matrix
|
||||
!> details only active slip and trans systems are considered
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_interaction_SlipTrans(Nslip,Ntrans,interactionValues,structure) result(interactionMatrix)
|
||||
function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,structure) result(interactionMatrix)
|
||||
use IO, only: &
|
||||
IO_error
|
||||
|
||||
|
|
@ -1782,17 +1780,16 @@ function lattice_interaction_SlipTrans(Nslip,Ntrans,interactionValues,structure)
|
|||
integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family
|
||||
Ntrans !< number of active trans systems per family
|
||||
real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-trans interaction
|
||||
character(len=*), intent(in) :: &
|
||||
structure !< lattice structure (parent crystal)
|
||||
real(pReal), dimension(sum(Nslip),sum(Ntrans)) :: interactionMatrix
|
||||
character(len=*), intent(in) :: structure !< lattice structure (parent crystal)
|
||||
real(pReal), dimension(sum(Ntrans),sum(Nslip)) :: interactionMatrix
|
||||
|
||||
integer, dimension(:), allocatable :: NslipMax, &
|
||||
NtransMax
|
||||
integer, dimension(:,:), allocatable :: interactionTypes
|
||||
|
||||
integer, dimension(LATTICE_FCC_NSLIP,LATTICE_fcc_Ntrans), parameter :: &
|
||||
integer, dimension(LATTICE_FCC_NTRANS,LATTICE_FCC_NSLIP), parameter :: &
|
||||
FCC_INTERACTIONSLIPTRANS = reshape( [&
|
||||
1,1,1,3,3,3,2,2,2,3,3,3, & ! ---> trans
|
||||
1,1,1,3,3,3,2,2,2,3,3,3, & ! -----> trans
|
||||
1,1,1,3,3,3,3,3,3,2,2,2, & ! |
|
||||
1,1,1,2,2,2,3,3,3,3,3,3, & ! |
|
||||
3,3,3,1,1,1,3,3,3,2,2,2, & ! v slip
|
||||
|
|
@ -1811,10 +1808,10 @@ function lattice_interaction_SlipTrans(Nslip,Ntrans,interactionValues,structure)
|
|||
4,4,4,4,4,4,4,4,4,4,4,4, &
|
||||
4,4,4,4,4,4,4,4,4,4,4,4, &
|
||||
4,4,4,4,4,4,4,4,4,4,4,4 &
|
||||
],shape(FCC_INTERACTIONSLIPTRANS),order=[2,1]) !< Slip-trans interaction types for fcc
|
||||
],shape(FCC_INTERACTIONSLIPTRANS)) !< Slip-trans interaction types for fcc
|
||||
|
||||
if (len_trim(structure) /= 3) &
|
||||
call IO_error(137,ext_msg='lattice_interaction_SlipTrans: '//trim(structure))
|
||||
call IO_error(137,ext_msg='lattice_interaction_SlipByTrans: '//trim(structure))
|
||||
|
||||
select case(structure(1:3))
|
||||
case('fcc')
|
||||
|
|
@ -1822,19 +1819,19 @@ function lattice_interaction_SlipTrans(Nslip,Ntrans,interactionValues,structure)
|
|||
NslipMax = LATTICE_FCC_NSLIPSYSTEM
|
||||
NtransMax = LATTICE_FCC_NTRANSSYSTEM
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_interaction_SlipTrans: '//trim(structure))
|
||||
call IO_error(137,ext_msg='lattice_interaction_SlipByTrans: '//trim(structure))
|
||||
end select
|
||||
|
||||
interactionMatrix = buildInteraction(Nslip,Ntrans,NslipMax,NtransMax,interactionValues,interactionTypes)
|
||||
interactionMatrix = buildInteraction(Ntrans,Nslip,NtransMax,NslipMax,interactionValues,interactionTypes)
|
||||
|
||||
end function lattice_interaction_SlipTrans
|
||||
end function lattice_interaction_SlipByTrans
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Twin-slip interaction matrix
|
||||
!> details only active twin and slip systems are considered
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_interaction_TwinSlip(Ntwin,Nslip,interactionValues,structure) result(interactionMatrix)
|
||||
function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,structure) result(interactionMatrix)
|
||||
use IO, only: &
|
||||
IO_error
|
||||
|
||||
|
|
@ -1843,21 +1840,21 @@ function lattice_interaction_TwinSlip(Ntwin,Nslip,interactionValues,structure) r
|
|||
Nslip !< number of active slip systems per family
|
||||
real(pReal), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction
|
||||
character(len=*), intent(in) :: structure !< lattice structure
|
||||
real(pReal), dimension(sum(Ntwin),sum(Nslip)) :: interactionMatrix
|
||||
real(pReal), dimension(sum(Nslip),sum(Ntwin)) :: interactionMatrix
|
||||
|
||||
integer, dimension(:), allocatable :: NtwinMax, &
|
||||
NslipMax
|
||||
integer, dimension(:,:), allocatable :: interactionTypes
|
||||
|
||||
integer, dimension(LATTICE_FCC_NTWIN,LATTICE_FCC_NSLIP), parameter :: &
|
||||
integer, dimension(LATTICE_FCC_NSLIP,LATTICE_FCC_NTWIN), parameter :: &
|
||||
FCC_INTERACTIONTWINSLIP = 1 !< Twin-Slip interaction types for fcc
|
||||
|
||||
integer, dimension(LATTICE_BCC_NTWIN,LATTICE_BCC_NSLIP), parameter :: &
|
||||
integer, dimension(LATTICE_BCC_NSLIP,LATTICE_BCC_NTWIN), parameter :: &
|
||||
BCC_INTERACTIONTWINSLIP = 1 !< Twin-slip interaction types for bcc
|
||||
|
||||
integer, dimension(LATTICE_HEX_NTWIN,LATTICE_HEX_NSLIP), parameter :: &
|
||||
integer, dimension(LATTICE_HEX_NSLIP,LATTICE_HEX_NTWIN), parameter :: &
|
||||
HEX_INTERACTIONTWINSLIP = reshape( [&
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! --> slip
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! ----> slip
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! |
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! |
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! v
|
||||
|
|
@ -1884,10 +1881,10 @@ function lattice_interaction_TwinSlip(Ntwin,Nslip,interactionValues,structure) r
|
|||
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, &
|
||||
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24, &
|
||||
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24 &
|
||||
],shape(HEX_INTERACTIONTWINSLIP),order=[2,1]) !< Twin-twin interaction types for hex
|
||||
],shape(HEX_INTERACTIONTWINSLIP)) !< Twin-twin interaction types for hex
|
||||
|
||||
if (len_trim(structure) /= 3) &
|
||||
call IO_error(137,ext_msg='lattice_interaction_TwinSlip: '//trim(structure))
|
||||
call IO_error(137,ext_msg='lattice_interaction_TwinBySlip: '//trim(structure))
|
||||
|
||||
select case(structure(1:3))
|
||||
case('fcc')
|
||||
|
|
@ -1903,12 +1900,12 @@ function lattice_interaction_TwinSlip(Ntwin,Nslip,interactionValues,structure) r
|
|||
NtwinMax = LATTICE_HEX_NTWINSYSTEM
|
||||
NslipMax = LATTICE_HEX_NSLIPSYSTEM
|
||||
case default
|
||||
call IO_error(137,ext_msg='lattice_interaction_TwinSlip: '//trim(structure))
|
||||
call IO_error(137,ext_msg='lattice_interaction_TwinBySlip: '//trim(structure))
|
||||
end select
|
||||
|
||||
interactionMatrix = buildInteraction(Ntwin,Nslip,NtwinMax,NslipMax,interactionValues,interactionTypes)
|
||||
interactionMatrix = buildInteraction(Nslip,Ntwin,NslipMax,NtwinMax,interactionValues,interactionTypes)
|
||||
|
||||
end function lattice_interaction_TwinSlip
|
||||
end function lattice_interaction_TwinBySlip
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -2039,11 +2036,9 @@ function lattice_SchmidMatrix_trans(Ntrans,structure_target,cOverA,a_bcc,a_fcc)
|
|||
implicit none
|
||||
integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
|
||||
real(pReal), intent(in) :: cOverA !< c/a ratio
|
||||
character(len=*), intent(in) :: structure_target !< lattice structure
|
||||
real(pReal), dimension(3,3,sum(Ntrans)) :: SchmidMatrix
|
||||
|
||||
character(len=*), intent(in) :: &
|
||||
structure_target !< lattice structure
|
||||
|
||||
real(pReal), dimension(3,3,sum(Ntrans)):: devNull
|
||||
real(pReal) :: a_bcc, a_fcc
|
||||
|
||||
|
|
@ -2119,28 +2114,8 @@ function lattice_SchmidMatrix_cleavage(Ncleavage,structure,cOverA) result(Schmid
|
|||
end function lattice_SchmidMatrix_cleavage
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Normal direction of slip systems (n)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_slip_normal(Nslip,structure,cOverA) result(n)
|
||||
|
||||
implicit none
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
character(len=*), intent(in) :: structure !< lattice structure
|
||||
real(pReal), intent(in) :: cOverA !< c/a ratio
|
||||
real(pReal), dimension(3,sum(Nslip)) :: n
|
||||
|
||||
real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
|
||||
|
||||
coordinateSystem = coordinateSystem_slip(Nslip,structure,cOverA)
|
||||
n = coordinateSystem(1:3,2,1:sum(Nslip))
|
||||
|
||||
end function lattice_slip_normal
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Slip direction of slip systems (|| b)
|
||||
!> @details: t = b x n
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_slip_direction(Nslip,structure,cOverA) result(d)
|
||||
|
||||
|
|
@ -2159,7 +2134,25 @@ end function lattice_slip_direction
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Transverse direction of slip systems (||t, t = b x n)
|
||||
!> @brief Normal direction of slip systems (|| n)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_slip_normal(Nslip,structure,cOverA) result(n)
|
||||
|
||||
implicit none
|
||||
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
|
||||
character(len=*), intent(in) :: structure !< lattice structure
|
||||
real(pReal), intent(in) :: cOverA !< c/a ratio
|
||||
real(pReal), dimension(3,sum(Nslip)) :: n
|
||||
|
||||
real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
|
||||
|
||||
coordinateSystem = coordinateSystem_slip(Nslip,structure,cOverA)
|
||||
n = coordinateSystem(1:3,2,1:sum(Nslip))
|
||||
|
||||
end function lattice_slip_normal
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Transverse direction of slip systems ( || t = b x n)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function lattice_slip_transverse(Nslip,structure,cOverA) result(t)
|
||||
|
||||
|
|
@ -2242,6 +2235,7 @@ function coordinateSystem_slip(Nslip,structure,cOverA) result(coordinateSystem)
|
|||
character(len=*), intent(in) :: structure !< lattice structure
|
||||
real(pReal), intent(in) :: cOverA !< c/a ratio
|
||||
real(pReal), dimension(3,3,sum(Nslip)) :: coordinateSystem
|
||||
|
||||
real(pReal), dimension(:,:), allocatable :: slipSystems
|
||||
integer, dimension(:), allocatable :: NslipMax
|
||||
|
||||
|
|
@ -2491,7 +2485,8 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
|
|||
0.0, 0.0, 1.0, 45.0 &
|
||||
],shape(LATTICE_FCCTOBCC_BAINROT))
|
||||
|
||||
if (size(Ntrans) < 1 .or. size(Ntrans) > 1) print*, 'mist' ! ToDo
|
||||
if (size(Ntrans) < 1 .or. size(Ntrans) > 1) &
|
||||
call IO_error(0) !ToDo: define error
|
||||
|
||||
if (a_bcc > 0.0_pReal .and. dEq0(cOverA)) then ! fcc -> bcc transformation
|
||||
do i = 1,sum(Ntrans)
|
||||
|
|
|
|||
|
|
@ -212,7 +212,7 @@ subroutine plastic_disloUCLA_init()
|
|||
prm%nonSchmid_neg = prm%Schmid
|
||||
endif
|
||||
|
||||
prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, &
|
||||
prm%interaction_SlipSlip = lattice_interaction_SlipBySlip(prm%Nslip, &
|
||||
config%getFloats('interaction_slipslip'), &
|
||||
config%getString('lattice_structure'))
|
||||
prm%forestProjectionEdge = lattice_forestProjection(prm%Nslip,config%getString('lattice_structure'),&
|
||||
|
|
@ -492,7 +492,7 @@ subroutine plastic_disloUCLA_dependentState(instance,of)
|
|||
prm%forestProjectionEdge(:,i)))
|
||||
dst%threshold_stress(i,of) = prm%mu*prm%burgers(i) &
|
||||
* sqrt(dot_product(stt%rhoEdge(:,of)+stt%rhoEdgeDip(:,of), &
|
||||
prm%interaction_SlipSlip(i,:)))
|
||||
prm%interaction_SlipSlip(:,i)))
|
||||
end forall
|
||||
|
||||
dst%mfp(:,of) = prm%grainSize/(1.0_pReal+prm%grainSize*dst%dislocationSpacing(:,of)/prm%Clambda)
|
||||
|
|
|
|||
|
|
@ -280,7 +280,7 @@ subroutine plastic_dislotwin_init
|
|||
slipActive: if (prm%totalNslip > 0_pInt) then
|
||||
prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,config%getString('lattice_structure'),&
|
||||
config%getFloat('c/a',defaultVal=0.0_pReal))
|
||||
prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, &
|
||||
prm%interaction_SlipSlip = lattice_interaction_SlipBySlip(prm%Nslip, &
|
||||
config%getFloats('interaction_slipslip'), &
|
||||
config%getString('lattice_structure'))
|
||||
prm%forestProjection = lattice_forestProjection (prm%Nslip,config%getString('lattice_structure'),&
|
||||
|
|
@ -347,7 +347,7 @@ subroutine plastic_dislotwin_init
|
|||
if (prm%totalNtwin > 0_pInt) then
|
||||
prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,config%getString('lattice_structure'),&
|
||||
config%getFloat('c/a',defaultVal=0.0_pReal))
|
||||
prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,&
|
||||
prm%interaction_TwinTwin = lattice_interaction_TwinByTwin(prm%Ntwin,&
|
||||
config%getFloats('interaction_twintwin'), &
|
||||
config%getString('lattice_structure'))
|
||||
|
||||
|
|
@ -397,7 +397,7 @@ subroutine plastic_dislotwin_init
|
|||
prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
|
||||
prm%L0_trans = config%getFloat('l0_trans')
|
||||
|
||||
prm%interaction_TransTrans = lattice_interaction_TransTrans(prm%Ntrans,&
|
||||
prm%interaction_TransTrans = lattice_interaction_TransByTrans(prm%Ntrans,&
|
||||
config%getFloats('interaction_transtrans'), &
|
||||
config%getString('lattice_structure'))
|
||||
|
||||
|
|
@ -433,17 +433,17 @@ subroutine plastic_dislotwin_init
|
|||
endif
|
||||
|
||||
if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then
|
||||
prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,&
|
||||
prm%interaction_SlipTwin = lattice_interaction_SlipByTwin(prm%Nslip,prm%Ntwin,&
|
||||
config%getFloats('interaction_sliptwin'), &
|
||||
config%getString('lattice_structure'))
|
||||
prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,&
|
||||
prm%interaction_TwinSlip = lattice_interaction_TwinBySlip(prm%Ntwin,prm%Nslip,&
|
||||
config%getFloats('interaction_twinslip'), &
|
||||
config%getString('lattice_structure'))
|
||||
if (prm%fccTwinTransNucleation .and. prm%totalNtwin > 12_pInt) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntwin is [6,6]
|
||||
endif
|
||||
|
||||
if (prm%totalNslip > 0_pInt .and. prm%totalNtrans > 0_pInt) then
|
||||
prm%interaction_SlipTrans = lattice_interaction_SlipTrans(prm%Nslip,prm%Ntrans,&
|
||||
prm%interaction_SlipTrans = lattice_interaction_SlipByTrans(prm%Nslip,prm%Ntrans,&
|
||||
config%getFloats('interaction_sliptrans'), &
|
||||
config%getString('lattice_structure'))
|
||||
if (prm%fccTwinTransNucleation .and. prm%totalNtrans > 12_pInt) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntrans is [6,6]
|
||||
|
|
@ -941,7 +941,7 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of)
|
|||
!* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation
|
||||
if (prm%totalNtwin > 0_pInt .and. prm%totalNslip > 0_pInt) &
|
||||
dst%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = &
|
||||
matmul(prm%interaction_SlipTwin,fOverStacksize)/(1.0_pReal-sumf_twin)
|
||||
matmul(transpose(prm%interaction_SlipTwin),fOverStacksize)/(1.0_pReal-sumf_twin) ! ToDo: Transpose need
|
||||
|
||||
!* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
|
||||
|
||||
|
|
@ -952,7 +952,7 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of)
|
|||
!* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation
|
||||
if (prm%totalNtrans > 0_pInt .and. prm%totalNslip > 0_pInt) &
|
||||
dst%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = & ! ToDo: does not work if Ntrans is not 12
|
||||
matmul(prm%interaction_SlipTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans)
|
||||
matmul(transpose(prm%interaction_SlipTrans),ftransOverLamellarSize)/(1.0_pReal-sumf_trans) ! ToDo: Transpose needed
|
||||
|
||||
!* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans)
|
||||
!ToDo: needed? if (prm%totalNtrans > 0_pInt) &
|
||||
|
|
@ -978,7 +978,7 @@ subroutine plastic_dislotwin_dependentState(temperature,instance,of)
|
|||
forall (i = 1_pInt:prm%totalNslip) dst%threshold_stress_slip(i,of) = &
|
||||
prm%mu*prm%burgers_slip(i)*&
|
||||
sqrt(dot_product(stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of),&
|
||||
prm%interaction_SlipSlip(i,1:prm%totalNslip)))
|
||||
prm%interaction_SlipSlip(:,i)))
|
||||
|
||||
!* threshold stress for growing twin/martensite
|
||||
if(prm%totalNtwin == prm%totalNslip) &
|
||||
|
|
|
|||
|
|
@ -204,7 +204,7 @@ subroutine plastic_kinehardening_init
|
|||
prm%nonSchmid_pos = prm%Schmid
|
||||
prm%nonSchmid_neg = prm%Schmid
|
||||
endif
|
||||
prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, &
|
||||
prm%interaction_SlipSlip = lattice_interaction_SlipBySlip(prm%Nslip, &
|
||||
config%getFloats('interaction_slipslip'), &
|
||||
config%getString('lattice_structure'))
|
||||
|
||||
|
|
@ -412,7 +412,7 @@ subroutine plastic_kinehardening_dotState(Mp,instance,of)
|
|||
sumGamma = sum(stt%accshear(:,of))
|
||||
|
||||
do i = 1_pInt, prm%totalNslip
|
||||
dot%crss(i,of) = dot_product(prm%interaction_SlipSlip(i,:),dot%accshear(:,of)) &
|
||||
dot%crss(i,of) = dot_product(prm%interaction_SlipSlip(:,i),dot%accshear(:,of)) &
|
||||
* ( prm%theta1(i) &
|
||||
+ (prm%theta0(i) - prm%theta1(i) + prm%theta0(i)*prm%theta1(i)*sumGamma/prm%tau1(i)) &
|
||||
* exp(-sumGamma*prm%theta0(i)/prm%tau1(i)) &
|
||||
|
|
|
|||
|
|
@ -346,7 +346,7 @@ subroutine plastic_nonlocal_init
|
|||
prm%nonSchmid_neg = prm%Schmid
|
||||
endif
|
||||
|
||||
prm%interactionSlipSlip = lattice_interaction_SlipSlip(prm%Nslip, &
|
||||
prm%interactionSlipSlip = lattice_interaction_SlipBySlip(prm%Nslip, &
|
||||
config%getFloats('interaction_slipslip'), &
|
||||
config%getString('lattice_structure'))
|
||||
|
||||
|
|
@ -1000,12 +1000,12 @@ if (lattice_structure(ph) == LATTICE_bcc_ID .or. lattice_structure(ph) == LATTI
|
|||
+ prm%linetensionEffect &
|
||||
* log(0.35_pReal * prm%burgers(s) * sqrt(myRhoForest)) &
|
||||
/ log(0.35_pReal * prm%burgers(s) * 1e6_pReal)) ** 2.0_pReal
|
||||
myInteractionMatrix(s,1:ns) = correction * myInteractionMatrix(s,1:ns)
|
||||
myInteractionMatrix(s,1:ns) = correction * myInteractionMatrix(1:ns,s)
|
||||
enddo
|
||||
endif
|
||||
forall (s = 1_pInt:ns) &
|
||||
dst%tau_threshold(s,of) = prm%mu * prm%burgers(s) &
|
||||
* sqrt(dot_product((sum(abs(rhoSgl),2) + sum(abs(rhoDip),2)), myInteractionMatrix(s,1:ns)))
|
||||
* sqrt(dot_product((sum(abs(rhoSgl),2) + sum(abs(rhoDip),2)), myInteractionMatrix(1:ns,s)))
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!*** calculate the dislocation stress of the neighboring excess dislocation densities
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@ -204,7 +204,7 @@ subroutine plastic_phenopowerlaw_init
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prm%nonSchmid_pos = prm%Schmid_slip
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prm%nonSchmid_neg = prm%Schmid_slip
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endif
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prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, &
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prm%interaction_SlipSlip = lattice_interaction_SlipBySlip(prm%Nslip, &
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config%getFloats('interaction_slipslip'), &
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config%getString('lattice_structure'))
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@ -241,7 +241,7 @@ subroutine plastic_phenopowerlaw_init
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twinActive: if (prm%totalNtwin > 0_pInt) then
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prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,config%getString('lattice_structure'),&
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config%getFloat('c/a',defaultVal=0.0_pReal))
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prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,&
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prm%interaction_TwinTwin = lattice_interaction_TwinByTwin(prm%Ntwin,&
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config%getFloats('interaction_twintwin'), &
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config%getString('lattice_structure'))
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prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,config%getString('lattice_structure'),&
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|
@ -269,15 +269,15 @@ subroutine plastic_phenopowerlaw_init
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|||
!--------------------------------------------------------------------------------------------------
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||||
! slip-twin related parameters
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||||
slipAndTwinActive: if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then
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prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,&
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||||
prm%interaction_SlipTwin = lattice_interaction_SlipByTwin(prm%Nslip,prm%Ntwin,&
|
||||
config%getFloats('interaction_sliptwin'), &
|
||||
config%getString('lattice_structure'))
|
||||
prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,&
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||||
prm%interaction_TwinSlip = lattice_interaction_TwinBySlip(prm%Ntwin,prm%Nslip,&
|
||||
config%getFloats('interaction_twinslip'), &
|
||||
config%getString('lattice_structure'))
|
||||
else slipAndTwinActive
|
||||
allocate(prm%interaction_SlipTwin(prm%totalNslip,prm%TotalNtwin)) ! at least one dimension is 0
|
||||
allocate(prm%interaction_TwinSlip(prm%totalNtwin,prm%TotalNslip)) ! at least one dimension is 0
|
||||
allocate(prm%interaction_SlipTwin(prm%TotalNtwin,prm%TotalNslip)) ! at least one dimension is 0
|
||||
allocate(prm%interaction_TwinSlip(prm%TotalNslip,prm%TotalNtwin)) ! at least one dimension is 0
|
||||
prm%h0_TwinSlip = 0.0_pReal
|
||||
endif slipAndTwinActive
|
||||
|
||||
|
|
@ -484,14 +484,14 @@ subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! hardening
|
||||
hardeningSlip: do i = 1_pInt, prm%totalNslip
|
||||
dot%xi_slip(i,of) = dot_product(prm%interaction_SlipSlip(i,:),right_SlipSlip*dot%gamma_slip(:,of)) &
|
||||
dot%xi_slip(i,of) = dot_product(prm%interaction_SlipSlip(:,i),right_SlipSlip*dot%gamma_slip(:,of)) &
|
||||
* c_SlipSlip * left_SlipSlip(i) &
|
||||
+ dot_product(prm%interaction_SlipTwin(i,:),dot%gamma_twin(:,of))
|
||||
+ dot_product(prm%interaction_SlipTwin(:,i),dot%gamma_twin(:,of))
|
||||
enddo hardeningSlip
|
||||
|
||||
hardeningTwin: do i = 1_pInt, prm%totalNtwin
|
||||
dot%xi_twin(i,of) = c_TwinSlip * dot_product(prm%interaction_TwinSlip(i,:),dot%gamma_slip(:,of)) &
|
||||
+ c_TwinTwin * dot_product(prm%interaction_TwinTwin(i,:),dot%gamma_twin(:,of))
|
||||
dot%xi_twin(i,of) = c_TwinSlip * dot_product(prm%interaction_TwinSlip(:,i),dot%gamma_slip(:,of)) &
|
||||
+ c_TwinTwin * dot_product(prm%interaction_TwinTwin(:,i),dot%gamma_twin(:,of))
|
||||
enddo hardeningTwin
|
||||
|
||||
end associate
|
||||
|
|
|
|||
Loading…
Reference in New Issue