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DAMASK_EICMD
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to transpose already when constructing the interaction matrix

This commit is contained in:
Martin Diehl 2019-04-13 00:46:27 +02:00
parent ffdd3955a3
commit 1036c76ae0
8 changed files with 2334 additions and 2403 deletions
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195
src/lattice.f90
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@ -456,7 +456,7 @@ module lattice
LATTICE_maxNcleavage = max(LATTICE_fcc_Ncleavage,LATTICE_bcc_Ncleavage, & LATTICE_maxNcleavage = max(LATTICE_fcc_Ncleavage,LATTICE_bcc_Ncleavage, &
LATTICE_hex_Ncleavage, & LATTICE_hex_Ncleavage, &
LATTICE_iso_Ncleavage,LATTICE_ort_Ncleavage) LATTICE_iso_Ncleavage,LATTICE_ort_Ncleavage)
!END DEPRECATED ! END DEPRECATED
real(pReal), dimension(:,:,:), allocatable, public, protected :: & real(pReal), dimension(:,:,:), allocatable, public, protected :: &
lattice_C66 lattice_C66
@ -535,7 +535,7 @@ module lattice
lattice_slip_transverse lattice_slip_transverse
contains contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Module initialization !> @brief Module initialization
@ -546,7 +546,6 @@ subroutine lattice_init
use config, only: & use config, only: &
config_phase config_phase
implicit none
integer :: Nphases integer :: Nphases
character(len=65536) :: & character(len=65536) :: &
tag = '' tag = ''
@ -664,7 +663,6 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, intent(in) :: myPhase integer, intent(in) :: myPhase
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
CoverA CoverA
@ -756,7 +754,6 @@ end subroutine lattice_initializeStructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function lattice_symmetrizeC66(struct,C66) pure function lattice_symmetrizeC66(struct,C66)
implicit none
integer(kind(LATTICE_undefined_ID)), intent(in) :: struct integer(kind(LATTICE_undefined_ID)), intent(in) :: struct
real(pReal), dimension(6,6), intent(in) :: C66 real(pReal), dimension(6,6), intent(in) :: C66
real(pReal), dimension(6,6) :: lattice_symmetrizeC66 real(pReal), dimension(6,6) :: lattice_symmetrizeC66
@ -820,7 +817,7 @@ pure function lattice_symmetrizeC66(struct,C66)
lattice_symmetrizeC66 = C66 lattice_symmetrizeC66 = C66
end select end select
end function lattice_symmetrizeC66 end function lattice_symmetrizeC66
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -828,7 +825,6 @@ pure function lattice_symmetrizeC66(struct,C66)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function lattice_symmetrize33(struct,T33) pure function lattice_symmetrize33(struct,T33)
implicit none
integer(kind(LATTICE_undefined_ID)), intent(in) :: struct integer(kind(LATTICE_undefined_ID)), intent(in) :: struct
real(pReal), dimension(3,3), intent(in) :: T33 real(pReal), dimension(3,3), intent(in) :: T33
real(pReal), dimension(3,3) :: lattice_symmetrize33 real(pReal), dimension(3,3) :: lattice_symmetrize33
@ -851,7 +847,7 @@ pure function lattice_symmetrize33(struct,T33)
lattice_symmetrize33 = T33 lattice_symmetrize33 = T33
end select end select
end function lattice_symmetrize33 end function lattice_symmetrize33
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -863,7 +859,6 @@ logical pure function lattice_qInSST(Q, struct)
use math, only: & use math, only: &
math_qToRodrig math_qToRodrig
implicit none
real(pReal), dimension(4), intent(in) :: Q ! orientation real(pReal), dimension(4), intent(in) :: Q ! orientation
integer(kind(LATTICE_undefined_ID)), intent(in) :: struct ! lattice structure integer(kind(LATTICE_undefined_ID)), intent(in) :: struct ! lattice structure
real(pReal), dimension(3) :: Rodrig ! Rodrigues vector of Q real(pReal), dimension(3) :: Rodrig ! Rodrigues vector of Q
@ -899,12 +894,11 @@ pure function lattice_qDisorientation(Q1, Q2, struct)
math_qMul, & math_qMul, &
math_qConj math_qConj
implicit none
real(pReal), dimension(4) :: lattice_qDisorientation real(pReal), dimension(4) :: lattice_qDisorientation
real(pReal), dimension(4), intent(in) :: & real(pReal), dimension(4), intent(in) :: &
Q1, & ! 1st orientation Q1, & !< 1st orientation
Q2 ! 2nd orientation Q2 !< 2nd orientation
integer(kind(LATTICE_undefined_ID)), optional, intent(in) :: & ! if given, symmetries between the two orientation will be considered integer(kind(LATTICE_undefined_ID)), optional, intent(in) :: & !< if given, symmetries between the two orientation will be considered
struct struct
real(pReal), dimension(4) :: dQ,dQsymA,mis real(pReal), dimension(4) :: dQ,dQsymA,mis
@ -914,7 +908,7 @@ pure function lattice_qDisorientation(Q1, Q2, struct)
integer, dimension(2), parameter :: & integer, dimension(2), parameter :: &
NsymOperations = [24,12] NsymOperations = [24,12]
real(pReal), dimension(4,36), parameter :: & real(pReal), dimension(4,36), parameter :: &
symOperations = reshape([& symOperations = reshape([&
1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal, & ! cubic symmetry operations 1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal, & ! cubic symmetry operations
0.0_pReal, 0.0_pReal, 1.0_pReal/sqrt(2.0_pReal), 1.0_pReal/sqrt(2.0_pReal), & ! 2-fold symmetry 0.0_pReal, 0.0_pReal, 1.0_pReal/sqrt(2.0_pReal), 1.0_pReal/sqrt(2.0_pReal), & ! 2-fold symmetry
@ -940,7 +934,7 @@ real(pReal), dimension(4,36), parameter :: &
1.0_pReal/sqrt(2.0_pReal), 0.0_pReal, 0.0_pReal, 1.0_pReal/sqrt(2.0_pReal), & 1.0_pReal/sqrt(2.0_pReal), 0.0_pReal, 0.0_pReal, 1.0_pReal/sqrt(2.0_pReal), &
0.0_pReal, 0.0_pReal, 0.0_pReal, 1.0_pReal, & 0.0_pReal, 0.0_pReal, 0.0_pReal, 1.0_pReal, &
-1.0_pReal/sqrt(2.0_pReal), 0.0_pReal, 0.0_pReal, 1.0_pReal/sqrt(2.0_pReal), & -1.0_pReal/sqrt(2.0_pReal), 0.0_pReal, 0.0_pReal, 1.0_pReal/sqrt(2.0_pReal), &
! !
1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal, & ! hexagonal symmetry operations 1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal, & ! hexagonal symmetry operations
0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal, & ! 2-fold symmetry 0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal, & ! 2-fold symmetry
0.0_pReal, 0.0_pReal, 1.0_pReal, 0.0_pReal, & 0.0_pReal, 0.0_pReal, 1.0_pReal, 0.0_pReal, &
@ -1007,7 +1001,6 @@ function lattice_characteristicShear_Twin(Ntwin,structure,CoverA) result(charact
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -1093,7 +1086,6 @@ function lattice_C66_twin(Ntwin,C66,structure,CoverA)
math_66toSym3333, & math_66toSym3333, &
math_rotate_forward3333 math_rotate_forward3333
implicit none
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), dimension(6,6), intent(in) :: C66 !< unrotated parent stiffness matrix real(pReal), dimension(6,6), intent(in) :: C66 !< unrotated parent stiffness matrix
@ -1145,7 +1137,6 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
math_66toSym3333, & math_66toSym3333, &
math_rotate_forward3333 math_rotate_forward3333
implicit none
integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
character(len=*), intent(in) :: structure_target !< lattice structure character(len=*), intent(in) :: structure_target !< lattice structure
real(pReal), dimension(6,6), intent(in) :: C_parent66 real(pReal), dimension(6,6), intent(in) :: C_parent66
@ -1162,8 +1153,8 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
!ToDo: add checks for CoverA_trans,a_fcc,a_bcc !ToDo: add checks for CoverA_trans,a_fcc,a_bcc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! elasticity matrix of the target phase in cube orientation ! elasticity matrix of the target phase in cube orientation
if (structure_target(1:3) == 'hex') then if (structure_target(1:3) == 'hex') then
C_bar66(1,1) = (C_parent66(1,1) + C_parent66(1,2) + 2.0_pReal*C_parent66(4,4))/2.0_pReal C_bar66(1,1) = (C_parent66(1,1) + C_parent66(1,2) + 2.0_pReal*C_parent66(4,4))/2.0_pReal
C_bar66(1,2) = (C_parent66(1,1) + 5.0_pReal*C_parent66(1,2) - 2.0_pReal*C_parent66(4,4))/6.0_pReal C_bar66(1,2) = (C_parent66(1,1) + 5.0_pReal*C_parent66(1,2) - 2.0_pReal*C_parent66(4,4))/6.0_pReal
@ -1196,7 +1187,7 @@ function lattice_C66_trans(Ntrans,C_parent66,structure_target, &
do i = 1, sum(Ntrans) do i = 1, sum(Ntrans)
lattice_C66_trans(1:6,1:6,i) = math_sym3333to66(math_rotate_forward3333(C_target_unrotated,Q(1:3,1:3,i))) lattice_C66_trans(1:6,1:6,i) = math_sym3333to66(math_rotate_forward3333(C_target_unrotated,Q(1:3,1:3,i)))
enddo enddo
end function lattice_C66_trans end function lattice_C66_trans
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -1212,7 +1203,7 @@ function lattice_nonSchmidMatrix(Nslip,nonSchmidCoefficients,sense) result(nonSc
math_outer, & math_outer, &
math_cross, & math_cross, &
math_axisAngleToR math_axisAngleToR
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
real(pReal), dimension(:), intent(in) :: nonSchmidCoefficients !< non-Schmid coefficients for projections real(pReal), dimension(:), intent(in) :: nonSchmidCoefficients !< non-Schmid coefficients for projections
integer, intent(in) :: sense !< sense (-1,+1) integer, intent(in) :: sense !< sense (-1,+1)
@ -1258,7 +1249,6 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) resul
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-slip interaction real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-slip interaction
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
@ -1269,11 +1259,11 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) resul
integer, dimension(LATTICE_FCC_NSLIP,LATTICE_FCC_NSLIP), parameter :: & integer, dimension(LATTICE_FCC_NSLIP,LATTICE_FCC_NSLIP), parameter :: &
FCC_INTERACTIONSLIPSLIP = reshape( [& FCC_INTERACTIONSLIPSLIP = reshape( [&
1, 2, 2, 4, 6, 5, 3, 5, 5, 4, 5, 6, 9,10, 9,10,11,12, & 1, 2, 2, 4, 6, 5, 3, 5, 5, 4, 5, 6, 9,10, 9,10,11,12, & ! -----> acting
2, 1, 2, 6, 4, 5, 5, 4, 6, 5, 3, 5, 9,10,11,12, 9,10, & 2, 1, 2, 6, 4, 5, 5, 4, 6, 5, 3, 5, 9,10,11,12, 9,10, & ! |
2, 2, 1, 5, 5, 3, 5, 6, 4, 6, 5, 4, 11,12, 9,10, 9,10, & 2, 2, 1, 5, 5, 3, 5, 6, 4, 6, 5, 4, 11,12, 9,10, 9,10, & ! |
4, 6, 5, 1, 2, 2, 4, 5, 6, 3, 5, 5, 9,10,10, 9,12,11, & 4, 6, 5, 1, 2, 2, 4, 5, 6, 3, 5, 5, 9,10,10, 9,12,11, & ! v
6, 4, 5, 2, 1, 2, 5, 3, 5, 5, 4, 6, 9,10,12,11,10, 9, & 6, 4, 5, 2, 1, 2, 5, 3, 5, 5, 4, 6, 9,10,12,11,10, 9, & ! reacting
5, 5, 3, 2, 2, 1, 6, 5, 4, 5, 6, 4, 11,12,10, 9,10, 9, & 5, 5, 3, 2, 2, 1, 6, 5, 4, 5, 6, 4, 11,12,10, 9,10, 9, &
3, 5, 5, 4, 5, 6, 1, 2, 2, 4, 6, 5, 10, 9,10, 9,11,12, & 3, 5, 5, 4, 5, 6, 1, 2, 2, 4, 6, 5, 10, 9,10, 9,11,12, &
5, 4, 6, 5, 3, 5, 2, 1, 2, 6, 4, 5, 10, 9,12,11, 9,10, & 5, 4, 6, 5, 3, 5, 2, 1, 2, 6, 4, 5, 10, 9,12,11, 9,10, &
@ -1304,11 +1294,11 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) resul
integer, dimension(LATTICE_BCC_NSLIP,LATTICE_BCC_NSLIP), parameter :: & integer, dimension(LATTICE_BCC_NSLIP,LATTICE_BCC_NSLIP), parameter :: &
BCC_INTERACTIONSLIPSLIP = reshape( [& BCC_INTERACTIONSLIPSLIP = reshape( [&
1,2,6,6,5,4,4,3,4,3,5,4, 6,6,4,3,3,4,6,6,4,3,6,6, & 1,2,6,6,5,4,4,3,4,3,5,4, 6,6,4,3,3,4,6,6,4,3,6,6, & ! -----> acting
2,1,6,6,4,3,5,4,5,4,4,3, 6,6,3,4,4,3,6,6,3,4,6,6, & 2,1,6,6,4,3,5,4,5,4,4,3, 6,6,3,4,4,3,6,6,3,4,6,6, & ! |
6,6,1,2,4,5,3,4,4,5,3,4, 4,3,6,6,6,6,3,4,6,6,4,3, & 6,6,1,2,4,5,3,4,4,5,3,4, 4,3,6,6,6,6,3,4,6,6,4,3, & ! |
6,6,2,1,3,4,4,5,3,4,4,5, 3,4,6,6,6,6,4,3,6,6,3,4, & 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
5,4,4,3,1,2,6,6,3,4,5,4, 3,6,4,6,6,4,6,3,4,6,3,6, & 5,4,4,3,1,2,6,6,3,4,5,4, 3,6,4,6,6,4,6,3,4,6,3,6, & ! reacting
4,3,5,4,2,1,6,6,4,5,4,3, 4,6,3,6,6,3,6,4,3,6,4,6, & 4,3,5,4,2,1,6,6,4,5,4,3, 4,6,3,6,6,3,6,4,3,6,4,6, &
4,5,3,4,6,6,1,2,5,4,3,4, 6,3,6,4,4,6,3,6,6,4,6,3, & 4,5,3,4,6,6,1,2,5,4,3,4, 6,3,6,4,4,6,3,6,6,4,6,3, &
3,4,4,5,6,6,2,1,4,3,4,5, 6,4,6,3,3,6,4,6,6,3,6,4, & 3,4,4,5,6,6,2,1,4,3,4,5, 6,4,6,3,3,6,4,6,6,3,6,4, &
@ -1339,11 +1329,11 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) resul
integer, dimension(LATTICE_HEX_NSLIP,LATTICE_HEX_NSLIP), parameter :: & integer, dimension(LATTICE_HEX_NSLIP,LATTICE_HEX_NSLIP), parameter :: &
HEX_INTERACTIONSLIPSLIP = reshape( [& HEX_INTERACTIONSLIPSLIP = reshape( [&
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, & 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, & ! -----> acting
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, & 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, & ! |
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, & 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, & ! |
! ! ! v
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, & 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, & ! reacting
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, & 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, &
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, & 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, &
! !
@ -1381,11 +1371,11 @@ function lattice_interaction_SlipBySlip(Nslip,interactionValues,structure) resul
integer, dimension(LATTICE_BCT_NSLIP,LATTICE_BCT_NSLIP), parameter :: & integer, dimension(LATTICE_BCT_NSLIP,LATTICE_BCT_NSLIP), parameter :: &
BCT_INTERACTIONSLIPSLIP = reshape( [& BCT_INTERACTIONSLIPSLIP = reshape( [&
1, 2, 3, 3, 7, 7, 13, 13, 13, 13, 21, 21, 31, 31, 31, 31, 43, 43, 57, 57, 73, 73, 73, 73, 91, 91, 91, 91, 91, 91, 91, 91, 111, 111, 111, 111, 133,133,133,133,133,133,133,133, 157,157,157,157,157,157,157,157, & 1, 2, 3, 3, 7, 7, 13, 13, 13, 13, 21, 21, 31, 31, 31, 31, 43, 43, 57, 57, 73, 73, 73, 73, 91, 91, 91, 91, 91, 91, 91, 91, 111, 111, 111, 111, 133,133,133,133,133,133,133,133, 157,157,157,157,157,157,157,157, & ! -----> acting
2, 1, 3, 3, 7, 7, 13, 13, 13, 13, 21, 21, 31, 31, 31, 31, 43, 43, 57, 57, 73, 73, 73, 73, 91, 91, 91, 91, 91, 91, 91, 91, 111, 111, 111, 111, 133,133,133,133,133,133,133,133, 157,157,157,157,157,157,157,157, & 2, 1, 3, 3, 7, 7, 13, 13, 13, 13, 21, 21, 31, 31, 31, 31, 43, 43, 57, 57, 73, 73, 73, 73, 91, 91, 91, 91, 91, 91, 91, 91, 111, 111, 111, 111, 133,133,133,133,133,133,133,133, 157,157,157,157,157,157,157,157, & ! |
! ! |
6, 6, 4, 5, 8, 8, 14, 14, 14, 14, 22, 22, 32, 32, 32, 32, 44, 44, 58, 58, 74, 74, 74, 74, 92, 92, 92, 92, 92, 92, 92, 92, 112, 112, 112, 112, 134,134,134,134,134,134,134,134, 158,158,158,158,158,158,158,158, & 6, 6, 4, 5, 8, 8, 14, 14, 14, 14, 22, 22, 32, 32, 32, 32, 44, 44, 58, 58, 74, 74, 74, 74, 92, 92, 92, 92, 92, 92, 92, 92, 112, 112, 112, 112, 134,134,134,134,134,134,134,134, 158,158,158,158,158,158,158,158, & ! v
6, 6, 5, 4, 8, 8, 14, 14, 14, 14, 22, 22, 32, 32, 32, 32, 44, 44, 58, 58, 74, 74, 74, 74, 92, 92, 92, 92, 92, 92, 92, 92, 112, 112, 112, 112, 134,134,134,134,134,134,134,134, 158,158,158,158,158,158,158,158, & 6, 6, 5, 4, 8, 8, 14, 14, 14, 14, 22, 22, 32, 32, 32, 32, 44, 44, 58, 58, 74, 74, 74, 74, 92, 92, 92, 92, 92, 92, 92, 92, 112, 112, 112, 112, 134,134,134,134,134,134,134,134, 158,158,158,158,158,158,158,158, & ! reacting
! !
12, 12, 11, 11, 9, 10, 15, 15, 15, 15, 23, 23, 33, 33, 33, 33, 45, 45, 59, 59, 75, 75, 75, 75, 93, 93, 93, 93, 93, 93, 93, 93, 113, 113, 113, 113, 135,135,135,135,135,135,135,135, 159,159,159,159,159,159,159,159, & 12, 12, 11, 11, 9, 10, 15, 15, 15, 15, 23, 23, 33, 33, 33, 33, 45, 45, 59, 59, 75, 75, 75, 75, 93, 93, 93, 93, 93, 93, 93, 93, 113, 113, 113, 113, 135,135,135,135,135,135,135,135, 159,159,159,159,159,159,159,159, &
12, 12, 11, 11, 10, 9, 15, 15, 15, 15, 23, 23, 33, 33, 33, 33, 45, 45, 59, 59, 75, 75, 75, 75, 93, 93, 93, 93, 93, 93, 93, 93, 113, 113, 113, 113, 135,135,135,135,135,135,135,135, 159,159,159,159,159,159,159,159, & 12, 12, 11, 11, 10, 9, 15, 15, 15, 15, 23, 23, 33, 33, 33, 33, 45, 45, 59, 59, 75, 75, 75, 75, 93, 93, 93, 93, 93, 93, 93, 93, 113, 113, 113, 113, 135,135,135,135,135,135,135,135, 159,159,159,159,159,159,159,159, &
@ -1481,7 +1471,6 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,structure) resul
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction real(pReal), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
@ -1492,11 +1481,11 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,structure) resul
integer, dimension(LATTICE_FCC_NTWIN,LATTICE_FCC_NTWIN), parameter :: & integer, dimension(LATTICE_FCC_NTWIN,LATTICE_FCC_NTWIN), parameter :: &
FCC_INTERACTIONTWINTWIN = reshape( [& FCC_INTERACTIONTWINTWIN = reshape( [&
1,1,1,2,2,2,2,2,2,2,2,2, & 1,1,1,2,2,2,2,2,2,2,2,2, & ! -----> acting
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, & 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, & ! v
2,2,2,1,1,1,2,2,2,2,2,2, & 2,2,2,1,1,1,2,2,2,2,2,2, & ! reacting
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, & 2,2,2,2,2,2,1,1,1,2,2,2, &
@ -1508,11 +1497,11 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,structure) resul
integer, dimension(LATTICE_BCC_NTWIN,LATTICE_BCC_NTWIN), parameter :: & integer, dimension(LATTICE_BCC_NTWIN,LATTICE_BCC_NTWIN), parameter :: &
BCC_INTERACTIONTWINTWIN = reshape( [& BCC_INTERACTIONTWINTWIN = reshape( [&
1,3,3,3,3,3,3,2,3,3,2,3, & 1,3,3,3,3,3,3,2,3,3,2,3, & ! -----> acting
3,1,3,3,3,3,2,3,3,3,3,2, & 3,1,3,3,3,3,2,3,3,3,3,2, & ! |
3,3,1,3,3,2,3,3,2,3,3,3, & 3,3,1,3,3,2,3,3,2,3,3,3, & ! |
3,3,3,1,2,3,3,3,3,2,3,3, & 3,3,3,1,2,3,3,3,3,2,3,3, & ! v
3,3,3,2,1,3,3,3,3,2,3,3, & 3,3,3,2,1,3,3,3,3,2,3,3, & ! reacting
3,3,2,3,3,1,3,3,2,3,3,3, & 3,3,2,3,3,1,3,3,2,3,3,3, &
3,2,3,3,3,3,1,3,3,3,3,2, & 3,2,3,3,3,3,1,3,3,3,3,2, &
2,3,3,3,3,3,3,1,3,3,2,3, & 2,3,3,3,3,3,3,1,3,3,2,3, &
@ -1526,11 +1515,11 @@ function lattice_interaction_TwinByTwin(Ntwin,interactionValues,structure) resul
!< 3: other interaction !< 3: other interaction
integer, dimension(LATTICE_HEX_NTWIN,LATTICE_HEX_NTWIN), parameter :: & integer, dimension(LATTICE_HEX_NTWIN,LATTICE_HEX_NTWIN), parameter :: &
HEX_INTERACTIONTWINTWIN = reshape( [& 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, & 1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! -----> acting
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, 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, 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, 1, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! v
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, 1, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! reacting
2, 2, 2, 2, 2, 1, 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, &
! !
6, 6, 6, 6, 6, 6, 4, 5, 5, 5, 5, 5, 8, 8, 8, 8, 8, 8, 14,14,14,14,14,14, & 6, 6, 6, 6, 6, 6, 4, 5, 5, 5, 5, 5, 8, 8, 8, 8, 8, 8, 14,14,14,14,14,14, &
@ -1585,7 +1574,6 @@ function lattice_interaction_TransByTrans(Ntrans,interactionValues,structure) re
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Ntrans !< number of active trans systems per family integer, dimension(:), intent(in) :: Ntrans !< number of active trans systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for trans-trans interaction real(pReal), dimension(:), intent(in) :: interactionValues !< values for trans-trans interaction
character(len=*), intent(in) :: structure !< lattice structure (parent crystal) character(len=*), intent(in) :: structure !< lattice structure (parent crystal)
@ -1596,11 +1584,11 @@ function lattice_interaction_TransByTrans(Ntrans,interactionValues,structure) re
integer, dimension(LATTICE_FCC_NTRANS,LATTICE_FCC_NTRANS), parameter :: & integer, dimension(LATTICE_FCC_NTRANS,LATTICE_FCC_NTRANS), parameter :: &
FCC_INTERACTIONTRANSTRANS = reshape( [& FCC_INTERACTIONTRANSTRANS = reshape( [&
1,1,1,2,2,2,2,2,2,2,2,2, & 1,1,1,2,2,2,2,2,2,2,2,2, & ! -----> acting
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, & 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, & ! v
2,2,2,1,1,1,2,2,2,2,2,2, & 2,2,2,1,1,1,2,2,2,2,2,2, & ! reacting
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, & 2,2,2,2,2,2,1,1,1,2,2,2, &
@ -1633,12 +1621,11 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure)
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family
Ntwin !< number of active twin systems per family Ntwin !< number of active twin systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-twin interaction real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-twin interaction
character(len=*), intent(in) :: structure !< lattice structure 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 :: NslipMax, & integer, dimension(:), allocatable :: NslipMax, &
NtwinMax NtwinMax
@ -1646,11 +1633,11 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure)
integer, dimension(LATTICE_FCC_NTWIN,LATTICE_FCC_NSLIP), parameter :: & integer, dimension(LATTICE_FCC_NTWIN,LATTICE_FCC_NSLIP), parameter :: &
FCC_INTERACTIONSLIPTWIN = reshape( [& 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 (acting)
1,1,1,3,3,3,3,3,3,2,2,2, & ! | 1,1,1,3,3,3,3,3,3,2,2,2, & ! |
1,1,1,2,2,2,3,3,3,3,3,3, & ! | 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 3,3,3,1,1,1,3,3,3,2,2,2, & ! v
3,3,3,1,1,1,2,2,2,3,3,3, & 3,3,3,1,1,1,2,2,2,3,3,3, & ! slip (reacting)
2,2,2,1,1,1,3,3,3,3,3,3, & 2,2,2,1,1,1,3,3,3,3,3,3, &
2,2,2,3,3,3,1,1,1,3,3,3, & 2,2,2,3,3,3,1,1,1,3,3,3, &
3,3,3,2,2,2,1,1,1,3,3,3, & 3,3,3,2,2,2,1,1,1,3,3,3, &
@ -1671,11 +1658,11 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure)
!< 3: other interaction !< 3: other interaction
integer, dimension(LATTICE_BCC_NTWIN,LATTICE_BCC_NSLIP), parameter :: & integer, dimension(LATTICE_BCC_NTWIN,LATTICE_BCC_NSLIP), parameter :: &
BCC_INTERACTIONSLIPTWIN = reshape( [& 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 (acting)
3,3,2,3,3,2,3,3,2,3,3,3, & ! | 3,3,2,3,3,2,3,3,2,3,3,3, & ! |
3,2,3,3,3,3,2,3,3,3,3,2, & ! | 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 2,3,3,3,3,3,3,2,3,3,2,3, & ! v
2,3,3,3,3,3,3,2,3,3,2,3, & 2,3,3,3,3,3,3,2,3,3,2,3, & ! slip (reacting)
3,3,2,3,3,2,3,3,2,3,3,3, & 3,3,2,3,3,2,3,3,2,3,3,3, &
3,2,3,3,3,3,2,3,3,3,3,2, & 3,2,3,3,3,3,2,3,3,3,3,2, &
3,3,3,2,2,3,3,3,3,2,3,3, & 3,3,3,2,2,3,3,3,3,2,3,3, &
@ -1702,11 +1689,11 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure)
!< 3: other interaction !< 3: other interaction
integer, dimension(LATTICE_HEX_NTWIN,LATTICE_HEX_NSLIP), parameter :: & integer, dimension(LATTICE_HEX_NTWIN,LATTICE_HEX_NSLIP), parameter :: &
HEX_INTERACTIONSLIPTWIN = reshape( [& 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 (acting)
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, & ! |
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 ! v
5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, & ! slip 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, & ! slip (reacting)
5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, & 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, &
5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, & 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, &
! !
@ -1763,7 +1750,7 @@ function lattice_interaction_SlipByTwin(Nslip,Ntwin,interactionValues,structure)
call IO_error(137,ext_msg='lattice_interaction_SlipByTwin: '//trim(structure)) call IO_error(137,ext_msg='lattice_interaction_SlipByTwin: '//trim(structure))
end select end select
interactionMatrix = buildInteraction(Ntwin,Nslip,NtwinMax,NslipMax,interactionValues,interactionTypes) interactionMatrix = buildInteraction(Nslip,Ntwin,NslipMax,NtwinMax,interactionValues,interactionTypes)
end function lattice_interaction_SlipByTwin end function lattice_interaction_SlipByTwin
@ -1776,12 +1763,11 @@ function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,structur
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip, & !< number of active slip systems per family
Ntrans !< number of active trans systems per family Ntrans !< number of active trans systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-trans interaction real(pReal), dimension(:), intent(in) :: interactionValues !< values for slip-trans interaction
character(len=*), intent(in) :: structure !< lattice structure (parent crystal) character(len=*), intent(in) :: structure !< lattice structure (parent crystal)
real(pReal), dimension(sum(Ntrans),sum(Nslip)) :: interactionMatrix real(pReal), dimension(sum(Nslip),sum(Ntrans)) :: interactionMatrix
integer, dimension(:), allocatable :: NslipMax, & integer, dimension(:), allocatable :: NslipMax, &
NtransMax NtransMax
@ -1789,11 +1775,11 @@ function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,structur
integer, dimension(LATTICE_FCC_NTRANS,LATTICE_FCC_NSLIP), parameter :: & integer, dimension(LATTICE_FCC_NTRANS,LATTICE_FCC_NSLIP), parameter :: &
FCC_INTERACTIONSLIPTRANS = reshape( [& 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 (acting)
1,1,1,3,3,3,3,3,3,2,2,2, & ! | 1,1,1,3,3,3,3,3,3,2,2,2, & ! |
1,1,1,2,2,2,3,3,3,3,3,3, & ! | 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 3,3,3,1,1,1,3,3,3,2,2,2, & ! v
3,3,3,1,1,1,2,2,2,3,3,3, & 3,3,3,1,1,1,2,2,2,3,3,3, & ! slip (reacting)
2,2,2,1,1,1,3,3,3,3,3,3, & 2,2,2,1,1,1,3,3,3,3,3,3, &
2,2,2,3,3,3,1,1,1,3,3,3, & 2,2,2,3,3,3,1,1,1,3,3,3, &
3,3,3,2,2,2,1,1,1,3,3,3, & 3,3,3,2,2,2,1,1,1,3,3,3, &
@ -1822,9 +1808,9 @@ function lattice_interaction_SlipByTrans(Nslip,Ntrans,interactionValues,structur
call IO_error(137,ext_msg='lattice_interaction_SlipByTrans: '//trim(structure)) call IO_error(137,ext_msg='lattice_interaction_SlipByTrans: '//trim(structure))
end select end select
interactionMatrix = buildInteraction(Ntrans,Nslip,NtransMax,NslipMax,interactionValues,interactionTypes) interactionMatrix = buildInteraction(Nslip,Ntrans,NslipMax,NtransMax,interactionValues,interactionTypes)
end function lattice_interaction_SlipByTrans end function lattice_interaction_SlipByTrans
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -1835,30 +1821,29 @@ function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,structure)
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Ntwin, & !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntwin, & !< number of active twin systems per family
Nslip !< number of active slip systems per family Nslip !< number of active slip systems per family
real(pReal), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction real(pReal), dimension(:), intent(in) :: interactionValues !< values for twin-twin interaction
character(len=*), intent(in) :: structure !< lattice structure 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 :: NtwinMax, & integer, dimension(:), allocatable :: NtwinMax, &
NslipMax NslipMax
integer, dimension(:,:), allocatable :: interactionTypes integer, dimension(:,:), allocatable :: interactionTypes
integer, dimension(LATTICE_FCC_NSLIP,LATTICE_FCC_NTWIN), parameter :: & integer, dimension(LATTICE_FCC_NSLIP,LATTICE_FCC_NTWIN), parameter :: &
FCC_INTERACTIONTWINSLIP = 1 !< Twin-Slip interaction types for fcc FCC_INTERACTIONTWINSLIP = 1 !< Twin-slip interaction types for fcc
integer, dimension(LATTICE_BCC_NSLIP,LATTICE_BCC_NTWIN), parameter :: & integer, dimension(LATTICE_BCC_NSLIP,LATTICE_BCC_NTWIN), parameter :: &
BCC_INTERACTIONTWINSLIP = 1 !< Twin-slip interaction types for bcc BCC_INTERACTIONTWINSLIP = 1 !< Twin-slip interaction types for bcc
integer, dimension(LATTICE_HEX_NSLIP,LATTICE_HEX_NTWIN), parameter :: & integer, dimension(LATTICE_HEX_NSLIP,LATTICE_HEX_NTWIN), parameter :: &
HEX_INTERACTIONTWINSLIP = reshape( [& 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 (acting)
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, & ! | 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 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
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, & ! twin 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, & ! twin (reacting)
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, &
! !
2, 2, 2, 6, 6, 6, 10,10,10, 14,14,14,14,14,14, 18,18,18,18,18,18,18,18,18,18,18,18, 22,22,22,22,22,22, & 2, 2, 2, 6, 6, 6, 10,10,10, 14,14,14,14,14,14, 18,18,18,18,18,18,18,18,18,18,18,18, 22,22,22,22,22,22, &
@ -1881,7 +1866,7 @@ function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,structure)
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, & 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)) !< Twin-twin interaction types for hex ],shape(HEX_INTERACTIONTWINSLIP)) !< Twin-slip interaction types for hex
if (len_trim(structure) /= 3) & if (len_trim(structure) /= 3) &
call IO_error(137,ext_msg='lattice_interaction_TwinBySlip: '//trim(structure)) call IO_error(137,ext_msg='lattice_interaction_TwinBySlip: '//trim(structure))
@ -1903,7 +1888,7 @@ function lattice_interaction_TwinBySlip(Ntwin,Nslip,interactionValues,structure)
call IO_error(137,ext_msg='lattice_interaction_TwinBySlip: '//trim(structure)) call IO_error(137,ext_msg='lattice_interaction_TwinBySlip: '//trim(structure))
end select end select
interactionMatrix = buildInteraction(Nslip,Ntwin,NslipMax,NtwinMax,interactionValues,interactionTypes) interactionMatrix = buildInteraction(Ntwin,Nslip,NtwinMax,NslipMax,interactionValues,interactionTypes)
end function lattice_interaction_TwinBySlip end function lattice_interaction_TwinBySlip
@ -1921,7 +1906,6 @@ function lattice_SchmidMatrix_slip(Nslip,structure,cOverA) result(SchmidMatrix)
math_trace33, & math_trace33, &
math_outer math_outer
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA real(pReal), intent(in) :: cOverA
@ -1981,7 +1965,6 @@ function lattice_SchmidMatrix_twin(Ntwin,structure,cOverA) result(SchmidMatrix)
math_trace33, & math_trace33, &
math_outer math_outer
implicit none
integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntwin !< number of active twin systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -2022,7 +2005,7 @@ function lattice_SchmidMatrix_twin(Ntwin,structure,cOverA) result(SchmidMatrix)
call IO_error(0,i,ext_msg = 'dilatational Schmid matrix for twin') call IO_error(0,i,ext_msg = 'dilatational Schmid matrix for twin')
enddo enddo
end function lattice_SchmidMatrix_twin end function lattice_SchmidMatrix_twin
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -2033,7 +2016,6 @@ function lattice_SchmidMatrix_trans(Ntrans,structure_target,cOverA,a_bcc,a_fcc)
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family integer, dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
character(len=*), intent(in) :: structure_target !< lattice structure character(len=*), intent(in) :: structure_target !< lattice structure
@ -2051,7 +2033,7 @@ function lattice_SchmidMatrix_trans(Ntrans,structure_target,cOverA,a_bcc,a_fcc)
call buildTransformationSystem(devNull,SchmidMatrix,Ntrans,cOverA,a_fcc,a_bcc) call buildTransformationSystem(devNull,SchmidMatrix,Ntrans,cOverA,a_fcc,a_bcc)
end function lattice_SchmidMatrix_trans end function lattice_SchmidMatrix_trans
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -2064,7 +2046,6 @@ function lattice_SchmidMatrix_cleavage(Ncleavage,structure,cOverA) result(Schmid
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Ncleavage !< number of active cleavage systems per family integer, dimension(:), intent(in) :: Ncleavage !< number of active cleavage systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -2119,7 +2100,6 @@ end function lattice_SchmidMatrix_cleavage
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_slip_direction(Nslip,structure,cOverA) result(d) function lattice_slip_direction(Nslip,structure,cOverA) result(d)
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -2138,7 +2118,6 @@ end function lattice_slip_direction
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_slip_normal(Nslip,structure,cOverA) result(n) function lattice_slip_normal(Nslip,structure,cOverA) result(n)
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -2151,12 +2130,12 @@ function lattice_slip_normal(Nslip,structure,cOverA) result(n)
end function lattice_slip_normal end function lattice_slip_normal
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Transverse direction of slip systems ( || t = b x n) !> @brief Transverse direction of slip systems ( || t = b x n)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_slip_transverse(Nslip,structure,cOverA) result(t) function lattice_slip_transverse(Nslip,structure,cOverA) result(t)
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -2178,7 +2157,6 @@ function slipProjection_transverse(Nslip,structure,cOverA) result(projection)
use math, only: & use math, only: &
math_inner math_inner
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -2204,7 +2182,6 @@ function slipProjection_direction(Nslip,structure,cOverA) result(projection)
use math, only: & use math, only: &
math_inner math_inner
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -2230,7 +2207,6 @@ function coordinateSystem_slip(Nslip,structure,cOverA) result(coordinateSystem)
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family integer, dimension(:), intent(in) :: Nslip !< number of active slip systems per family
character(len=*), intent(in) :: structure !< lattice structure character(len=*), intent(in) :: structure !< lattice structure
real(pReal), intent(in) :: cOverA !< c/a ratio real(pReal), intent(in) :: cOverA !< c/a ratio
@ -2272,19 +2248,18 @@ end function coordinateSystem_slip
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Populates reduced interaction matrix !> @brief Populates reduced interaction matrix
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function buildInteraction(acting_used,reacting_used,acting_max,reacting_max,values,matrix) function buildInteraction(reacting_used,acting_used,reacting_max,acting_max,values,matrix)
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: & integer, dimension(:), intent(in) :: &
acting_used, & !< # of acting systems per family as specified in material.config
reacting_used, & !< # of reacting systems per family as specified in material.config reacting_used, & !< # of reacting systems per family as specified in material.config
acting_max, & !< max # of acting systems per family for given lattice acting_used, & !< # of acting systems per family as specified in material.config
reacting_max !< max # of reacting systems per family for given lattice reacting_max, & !< max # of reacting systems per family for given lattice
acting_max !< max # of acting systems per family for given lattice
real(pReal), dimension(:), intent(in) :: values !< interaction values real(pReal), dimension(:), intent(in) :: values !< interaction values
integer, dimension(:,:), intent(in) :: matrix !< interaction types integer, dimension(:,:), intent(in) :: matrix !< interaction types
real(pReal), dimension(sum(acting_used),sum(reacting_used)) :: buildInteraction real(pReal), dimension(sum(reacting_used),sum(acting_used)) :: buildInteraction
integer :: & integer :: &
acting_family_index, acting_family, acting_system, & acting_family_index, acting_family, acting_system, &
@ -2307,7 +2282,7 @@ function buildInteraction(acting_used,reacting_used,acting_max,reacting_max,valu
if (matrix(i,j) > size(values)) call IO_error(138,ext_msg='buildInteraction') if (matrix(i,j) > size(values)) call IO_error(138,ext_msg='buildInteraction')
buildInteraction(k,l) = values(matrix(i,j)) buildInteraction(l,k) = values(matrix(i,j))
enddo; enddo enddo; enddo
enddo; enddo enddo; enddo
@ -2325,7 +2300,6 @@ function buildCoordinateSystem(active,complete,system,structure,cOverA)
use math, only: & use math, only: &
math_cross math_cross
implicit none
integer, dimension(:), intent(in) :: & integer, dimension(:), intent(in) :: &
active, & active, &
complete complete
@ -2407,7 +2381,6 @@ subroutine buildTransformationSystem(Q,S,Ntrans,cOverA,a_fcc,a_bcc)
use IO, only: & use IO, only: &
IO_error IO_error
implicit none
integer, dimension(:), intent(in) :: & integer, dimension(:), intent(in) :: &
Ntrans Ntrans
real(pReal), dimension(3,3,sum(Ntrans)), intent(out) :: & real(pReal), dimension(3,3,sum(Ntrans)), intent(out) :: &

10
src/plastic_disloUCLA.f90
View File

@ -134,7 +134,6 @@ subroutine plastic_disloUCLA_init()
config_phase config_phase
use lattice use lattice
implicit none
integer :: & integer :: &
Ninstance, & Ninstance, &
p, i, & p, i, &
@ -208,9 +207,9 @@ subroutine plastic_disloUCLA_init()
prm%nonSchmid_neg = prm%Schmid prm%nonSchmid_neg = prm%Schmid
endif endif
prm%h_sl_sl = transpose(lattice_interaction_SlipBySlip(prm%N_sl, & prm%h_sl_sl = lattice_interaction_SlipBySlip(prm%N_sl, &
config%getFloats('interaction_slipslip'), & config%getFloats('interaction_slipslip'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
prm%forestProjectionEdge = lattice_forestProjection(prm%N_sl,config%getString('lattice_structure'),& prm%forestProjectionEdge = lattice_forestProjection(prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
@ -361,7 +360,6 @@ end subroutine plastic_disloUCLA_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp, & pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp, &
Mp,T,instance,of) Mp,T,instance,of)
implicit none
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & real(pReal), dimension(3,3,3,3), intent(out) :: &
@ -411,7 +409,6 @@ subroutine plastic_disloUCLA_dotState(Mp,T,instance,of)
PI, & PI, &
math_clip math_clip
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -472,7 +469,6 @@ end subroutine plastic_disloUCLA_dotState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_disloUCLA_dependentState(instance,of) subroutine plastic_disloUCLA_dependentState(instance,of)
implicit none
integer, intent(in) :: & integer, intent(in) :: &
instance, & instance, &
of of
@ -507,7 +503,6 @@ function plastic_disloUCLA_postResults(Mp,T,instance,of) result(postResults)
PI, & PI, &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -616,7 +611,6 @@ pure subroutine kinetics(Mp,T,instance,of, &
PI, & PI, &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &

29
src/plastic_dislotwin.f90
View File

@ -198,7 +198,6 @@ subroutine plastic_dislotwin_init
config_phase config_phase
use lattice use lattice
implicit none
integer :: & integer :: &
Ninstance, & Ninstance, &
p, i, & p, i, &
@ -268,9 +267,9 @@ subroutine plastic_dislotwin_init
slipActive: if (prm%sum_N_sl > 0) then slipActive: if (prm%sum_N_sl > 0) then
prm%P_sl = lattice_SchmidMatrix_slip(prm%N_sl,config%getString('lattice_structure'),& prm%P_sl = lattice_SchmidMatrix_slip(prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%h_sl_sl = transpose(lattice_interaction_SlipBySlip(prm%N_sl, & prm%h_sl_sl = lattice_interaction_SlipBySlip(prm%N_sl, &
config%getFloats('interaction_slipslip'), & config%getFloats('interaction_slipslip'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
prm%forestProjection = lattice_forestProjection (prm%N_sl,config%getString('lattice_structure'),& prm%forestProjection = lattice_forestProjection (prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
@ -332,9 +331,9 @@ subroutine plastic_dislotwin_init
if (prm%sum_N_tw > 0) then if (prm%sum_N_tw > 0) then
prm%P_tw = lattice_SchmidMatrix_twin(prm%N_tw,config%getString('lattice_structure'),& prm%P_tw = lattice_SchmidMatrix_twin(prm%N_tw,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%h_tw_tw = transpose(lattice_interaction_TwinByTwin(prm%N_tw,& prm%h_tw_tw = lattice_interaction_TwinByTwin(prm%N_tw,&
config%getFloats('interaction_twintwin'), & config%getFloats('interaction_twintwin'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
prm%b_tw = config%getFloats('twinburgers', requiredSize=size(prm%N_tw)) prm%b_tw = config%getFloats('twinburgers', requiredSize=size(prm%N_tw))
prm%t_tw = config%getFloats('twinsize', requiredSize=size(prm%N_tw)) prm%t_tw = config%getFloats('twinsize', requiredSize=size(prm%N_tw))
@ -380,9 +379,9 @@ subroutine plastic_dislotwin_init
prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%L_tr = config%getFloat('l0_trans') prm%L_tr = config%getFloat('l0_trans')
prm%h_tr_tr = transpose(lattice_interaction_TransByTrans(prm%N_tr,& prm%h_tr_tr = lattice_interaction_TransByTrans(prm%N_tr,&
config%getFloats('interaction_transtrans'), & config%getFloats('interaction_transtrans'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
prm%C66_tr = lattice_C66_trans(prm%N_tr,prm%C66, & prm%C66_tr = lattice_C66_trans(prm%N_tr,prm%C66, &
config%getString('trans_lattice_structure'), & config%getString('trans_lattice_structure'), &
@ -416,16 +415,16 @@ subroutine plastic_dislotwin_init
endif endif
if (prm%sum_N_sl > 0 .and. prm%sum_N_tw > 0) then if (prm%sum_N_sl > 0 .and. prm%sum_N_tw > 0) then
prm%h_sl_tw = transpose(lattice_interaction_SlipByTwin(prm%N_sl,prm%N_tw,& prm%h_sl_tw = lattice_interaction_SlipByTwin(prm%N_sl,prm%N_tw,&
config%getFloats('interaction_sliptwin'), & config%getFloats('interaction_sliptwin'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
if (prm%fccTwinTransNucleation .and. prm%sum_N_tw > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if N_tw is [6,6] if (prm%fccTwinTransNucleation .and. prm%sum_N_tw > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if N_tw is [6,6]
endif endif
if (prm%sum_N_sl > 0 .and. prm%sum_N_tr > 0) then if (prm%sum_N_sl > 0 .and. prm%sum_N_tr > 0) then
prm%h_sl_tr = transpose(lattice_interaction_SlipByTrans(prm%N_sl,prm%N_tr,& prm%h_sl_tr = lattice_interaction_SlipByTrans(prm%N_sl,prm%N_tr,&
config%getFloats('interaction_sliptrans'), & config%getFloats('interaction_sliptrans'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
if (prm%fccTwinTransNucleation .and. prm%sum_N_tr > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if N_tr is [6,6] if (prm%fccTwinTransNucleation .and. prm%sum_N_tr > 12) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if N_tr is [6,6]
endif endif
@ -605,7 +604,6 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC)
phase_plasticityInstance, & phase_plasticityInstance, &
phasememberAt phasememberAt
implicit none
real(pReal), dimension(6,6) :: & real(pReal), dimension(6,6) :: &
homogenizedC homogenizedC
integer, intent(in) :: & integer, intent(in) :: &
@ -653,7 +651,6 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
math_symmetric33, & math_symmetric33, &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(out) :: Lp real(pReal), dimension(3,3), intent(out) :: Lp
real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp
real(pReal), dimension(3,3), intent(in) :: Mp real(pReal), dimension(3,3), intent(in) :: Mp
@ -776,7 +773,6 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
math_mul33xx33, & math_mul33xx33, &
PI PI
implicit none
real(pReal), dimension(3,3), intent(in):: & real(pReal), dimension(3,3), intent(in):: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -869,7 +865,6 @@ subroutine plastic_dislotwin_dependentState(T,instance,of)
use math, only: & use math, only: &
PI PI
implicit none
integer, intent(in) :: & integer, intent(in) :: &
instance, & instance, &
of of
@ -987,7 +982,6 @@ function plastic_dislotwin_postResults(Mp,T,instance,of) result(postResults)
PI, & PI, &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3),intent(in) :: & real(pReal), dimension(3,3),intent(in) :: &
Mp !< 2nd Piola Kirchhoff stress tensor in Mandel notation Mp !< 2nd Piola Kirchhoff stress tensor in Mandel notation
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -1133,7 +1127,6 @@ pure subroutine kinetics_slip(Mp,T,instance,of, &
use math, only: & use math, only: &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -1212,7 +1205,6 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,&
use math, only: & use math, only: &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -1284,7 +1276,6 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
use math, only: & use math, only: &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
real(pReal), intent(in) :: & real(pReal), intent(in) :: &

5
src/plastic_isotropic.f90
View File

@ -108,7 +108,6 @@ subroutine plastic_isotropic_init
config_phase config_phase
use lattice use lattice
implicit none
integer :: & integer :: &
Ninstance, & Ninstance, &
p, i, & p, i, &
@ -259,7 +258,6 @@ subroutine plastic_isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
math_deviatoric33, & math_deviatoric33, &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & real(pReal), dimension(3,3,3,3), intent(out) :: &
@ -326,7 +324,6 @@ subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dTstar,Tstar,instance,of)
math_spherical33, & math_spherical33, &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Li !< inleastic velocity gradient Li !< inleastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & real(pReal), dimension(3,3,3,3), intent(out) :: &
@ -383,7 +380,6 @@ subroutine plastic_isotropic_dotState(Mp,instance,of)
math_mul33xx33, & math_mul33xx33, &
math_deviatoric33 math_deviatoric33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
@ -436,7 +432,6 @@ function plastic_isotropic_postResults(Mp,instance,of) result(postResults)
math_mul33xx33, & math_mul33xx33, &
math_deviatoric33 math_deviatoric33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &

10
src/plastic_kinematichardening.f90
View File

@ -129,7 +129,6 @@ subroutine plastic_kinehardening_init
config_phase config_phase
use lattice use lattice
implicit none
integer :: & integer :: &
Ninstance, & Ninstance, &
p, i, o, & p, i, o, &
@ -204,9 +203,9 @@ subroutine plastic_kinehardening_init
prm%nonSchmid_pos = prm%Schmid prm%nonSchmid_pos = prm%Schmid
prm%nonSchmid_neg = prm%Schmid prm%nonSchmid_neg = prm%Schmid
endif endif
prm%interaction_SlipSlip = transpose(lattice_interaction_SlipBySlip(prm%Nslip, & prm%interaction_SlipSlip = lattice_interaction_SlipBySlip(prm%Nslip, &
config%getFloats('interaction_slipslip'), & config%getFloats('interaction_slipslip'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
prm%crss0 = config%getFloats('crss0', requiredSize=size(prm%Nslip)) prm%crss0 = config%getFloats('crss0', requiredSize=size(prm%Nslip))
prm%tau1 = config%getFloats('tau1', requiredSize=size(prm%Nslip)) prm%tau1 = config%getFloats('tau1', requiredSize=size(prm%Nslip))
@ -347,7 +346,6 @@ end subroutine plastic_kinehardening_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine plastic_kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of) pure subroutine plastic_kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
implicit none
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & real(pReal), dimension(3,3,3,3), intent(out) :: &
@ -390,7 +388,6 @@ end subroutine plastic_kinehardening_LpAndItsTangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_kinehardening_dotState(Mp,instance,of) subroutine plastic_kinehardening_dotState(Mp,instance,of)
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
@ -443,7 +440,6 @@ subroutine plastic_kinehardening_deltaState(Mp,instance,of)
debug_levelSelective debug_levelSelective
#endif #endif
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
@ -494,7 +490,6 @@ function plastic_kinehardening_postResults(Mp,instance,of) result(postResults)
use math, only: & use math, only: &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
@ -608,7 +603,6 @@ pure subroutine kinetics(Mp,instance,of, &
use math, only: & use math, only: &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &

10
src/plastic_nonlocal.f90
View File

@ -260,7 +260,6 @@ subroutine plastic_nonlocal_init
use config use config
use lattice use lattice
implicit none
character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::] character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::]
integer, dimension(0), parameter :: emptyIntArray = [integer::] integer, dimension(0), parameter :: emptyIntArray = [integer::]
real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::] real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::]
@ -751,7 +750,6 @@ subroutine plastic_nonlocal_init
material_phase, & material_phase, &
phase_plasticityInstance, & phase_plasticityInstance, &
phasememberAt phasememberAt
implicit none
integer,intent(in) ::& integer,intent(in) ::&
phase, & phase, &
@ -867,7 +865,6 @@ subroutine plastic_nonlocal_dependentState(Fe, Fp, ip, el)
LATTICE_fcc_ID, & LATTICE_fcc_ID, &
lattice_structure lattice_structure
implicit none
integer, intent(in) :: & integer, intent(in) :: &
ip, & ip, &
el el
@ -1090,7 +1087,6 @@ end subroutine plastic_nonlocal_dependentState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_nonlocal_kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, & subroutine plastic_nonlocal_kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, &
tauThreshold, c, Temperature, instance, of) tauThreshold, c, Temperature, instance, of)
implicit none
integer, intent(in) :: & integer, intent(in) :: &
c, & !< dislocation character (1:edge, 2:screw) c, & !< dislocation character (1:edge, 2:screw)
instance, of instance, of
@ -1239,7 +1235,6 @@ subroutine plastic_nonlocal_LpAndItsTangent(Lp, dLp_dMp, &
phaseAt, phasememberAt, & phaseAt, phasememberAt, &
phase_plasticityInstance phase_plasticityInstance
implicit none
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< current integration point ip, & !< current integration point
el !< current element number el !< current element number
@ -1392,7 +1387,6 @@ subroutine plastic_nonlocal_deltaState(Mp,ip,el)
phaseAt, phasememberAt, & phaseAt, phasememberAt, &
phase_plasticityInstance phase_plasticityInstance
implicit none
integer, intent(in) :: & integer, intent(in) :: &
ip, & ip, &
el el
@ -1553,7 +1547,6 @@ subroutine plastic_nonlocal_dotState(Mp, Fe, Fp, Temperature, &
LATTICE_bcc_ID, & LATTICE_bcc_ID, &
LATTICE_fcc_ID LATTICE_fcc_ID
implicit none
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< current integration point ip, & !< current integration point
el !< current element number el !< current element number
@ -2027,7 +2020,6 @@ subroutine plastic_nonlocal_updateCompatibility(orientation,i,e)
use lattice, only: & use lattice, only: &
lattice_qDisorientation lattice_qDisorientation
implicit none
integer, intent(in) :: & integer, intent(in) :: &
i, & i, &
e e
@ -2175,7 +2167,6 @@ function plastic_nonlocal_postResults(ph,instance,of) result(postResults)
use material, only: & use material, only: &
plasticState plasticState
implicit none
integer, intent(in) :: & integer, intent(in) :: &
ph, & ph, &
instance, & instance, &
@ -2378,7 +2369,6 @@ end function plastic_nonlocal_postResults
function getRho(instance,of,ip,el) function getRho(instance,of,ip,el)
use mesh use mesh
implicit none
integer, intent(in) :: instance, of,ip,el integer, intent(in) :: instance, of,ip,el
real(pReal), dimension(param(instance)%totalNslip,10) :: getRho real(pReal), dimension(param(instance)%totalNslip,10) :: getRho

22
src/plastic_phenopowerlaw.f90
View File

@ -129,7 +129,6 @@ subroutine plastic_phenopowerlaw_init
config_phase config_phase
use lattice use lattice
implicit none
integer :: & integer :: &
Ninstance, & Ninstance, &
p, i, & p, i, &
@ -203,9 +202,9 @@ subroutine plastic_phenopowerlaw_init
prm%nonSchmid_pos = prm%Schmid_slip prm%nonSchmid_pos = prm%Schmid_slip
prm%nonSchmid_neg = prm%Schmid_slip prm%nonSchmid_neg = prm%Schmid_slip
endif endif
prm%interaction_SlipSlip = transpose(lattice_interaction_SlipBySlip(prm%Nslip, & prm%interaction_SlipSlip = lattice_interaction_SlipBySlip(prm%Nslip, &
config%getFloats('interaction_slipslip'), & config%getFloats('interaction_slipslip'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
prm%xi_slip_0 = config%getFloats('tau0_slip', requiredSize=size(prm%Nslip)) prm%xi_slip_0 = config%getFloats('tau0_slip', requiredSize=size(prm%Nslip))
prm%xi_slip_sat = config%getFloats('tausat_slip', requiredSize=size(prm%Nslip)) prm%xi_slip_sat = config%getFloats('tausat_slip', requiredSize=size(prm%Nslip))
@ -240,9 +239,9 @@ subroutine plastic_phenopowerlaw_init
twinActive: if (prm%totalNtwin > 0) then twinActive: if (prm%totalNtwin > 0) then
prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,config%getString('lattice_structure'),& prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%interaction_TwinTwin = transpose(lattice_interaction_TwinByTwin(prm%Ntwin,& prm%interaction_TwinTwin = lattice_interaction_TwinByTwin(prm%Ntwin,&
config%getFloats('interaction_twintwin'), & config%getFloats('interaction_twintwin'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,config%getString('lattice_structure'),& prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,config%getString('lattice_structure'),&
config%getFloat('c/a')) config%getFloat('c/a'))
@ -268,12 +267,12 @@ subroutine plastic_phenopowerlaw_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! slip-twin related parameters ! slip-twin related parameters
slipAndTwinActive: if (prm%totalNslip > 0 .and. prm%totalNtwin > 0) then slipAndTwinActive: if (prm%totalNslip > 0 .and. prm%totalNtwin > 0) then
prm%interaction_SlipTwin = transpose(lattice_interaction_SlipByTwin(prm%Nslip,prm%Ntwin,& prm%interaction_SlipTwin = lattice_interaction_SlipByTwin(prm%Nslip,prm%Ntwin,&
config%getFloats('interaction_sliptwin'), & config%getFloats('interaction_sliptwin'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
prm%interaction_TwinSlip = transpose(lattice_interaction_TwinBySlip(prm%Ntwin,prm%Nslip,& prm%interaction_TwinSlip = lattice_interaction_TwinBySlip(prm%Ntwin,prm%Nslip,&
config%getFloats('interaction_twinslip'), & config%getFloats('interaction_twinslip'), &
config%getString('lattice_structure'))) config%getString('lattice_structure'))
else slipAndTwinActive else slipAndTwinActive
allocate(prm%interaction_SlipTwin(prm%TotalNslip,prm%TotalNtwin)) ! at least one dimension is 0 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_TwinSlip(prm%TotalNtwin,prm%TotalNslip)) ! at least one dimension is 0
@ -387,7 +386,6 @@ end subroutine plastic_phenopowerlaw_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of) pure subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of)
implicit none
real(pReal), dimension(3,3), intent(out) :: & real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: & real(pReal), dimension(3,3,3,3), intent(out) :: &
@ -439,7 +437,6 @@ end subroutine plastic_phenopowerlaw_LpAndItsTangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_phenopowerlaw_dotState(Mp,instance,of) subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
@ -498,7 +495,6 @@ function plastic_phenopowerlaw_postResults(Mp,instance,of) result(postResults)
use math, only: & use math, only: &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
@ -616,7 +612,6 @@ pure subroutine kinetics_slip(Mp,instance,of, &
use math, only: & use math, only: &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &
@ -693,7 +688,6 @@ pure subroutine kinetics_twin(Mp,instance,of,&
use math, only: & use math, only: &
math_mul33xx33 math_mul33xx33
implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress Mp !< Mandel stress
integer, intent(in) :: & integer, intent(in) :: &