fixing inconsistencies in variable assignments
This commit is contained in:
Martin Diehl
parent
cff66b5cc3
commit
37ac7bf1b4
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@ -186,8 +186,8 @@ constitutive_dislotwin_Nslip = 0_pInt
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constitutive_dislotwin_Ntwin = 0_pInt
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constitutive_dislotwin_slipFamily = 0_pInt
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constitutive_dislotwin_twinFamily = 0_pInt
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constitutive_dislotwin_slipSystemLattice = 0.0_pReal
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constitutive_dislotwin_twinSystemLattice = 0.0_pReal
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constitutive_dislotwin_slipSystemLattice = 0_pInt
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constitutive_dislotwin_twinSystemLattice = 0_pInt
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constitutive_dislotwin_totalNslip = 0_pInt
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constitutive_dislotwin_totalNtwin = 0_pInt
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allocate(constitutive_dislotwin_CoverA(maxNinstance))
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@ -959,23 +959,23 @@ real(pReal), dimension(3,3) :: eigVectors, sb_Smatrix
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real(pReal), dimension(3) :: eigValues, sb_s, sb_m
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real(pReal), dimension(3,6), parameter :: &
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sb_sComposition = &
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reshape((/&
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reshape(real([&
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1, 0, 1, &
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1, 0,-1, &
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1, 1, 0, &
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1,-1, 0, &
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0, 1, 1, &
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0, 1,-1 &
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/),(/3,6/)), &
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],pReal),[ 3,6]), &
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sb_mComposition = &
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reshape((/&
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reshape(real([&
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1, 0,-1, &
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1, 0,+1, &
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1,-1, 0, &
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1, 1, 0, &
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0, 1,-1, &
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0, 1, 1 &
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/),(/3,6/))
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],pReal),[ 3,6])
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logical error
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!* Shortened notation
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@ -58,7 +58,7 @@ character(len=18), dimension(3), parameter:: constitutive_titanmod_listBasicSlip
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character(len=18), dimension(1), parameter:: constitutive_titanmod_listBasicTwinStates = (/'gdot_twin'/)
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character(len=18), dimension(11), parameter:: constitutive_titanmod_listDependentSlipStates =(/'segment_edge ', &
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character(len=19), dimension(11), parameter:: constitutive_titanmod_listDependentSlipStates =(/'segment_edge ', &
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'segment_screw ', &
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'resistance_edge ', &
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'resistance_screw ', &
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@ -254,8 +254,8 @@ constitutive_titanmod_Nslip = 0_pInt
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constitutive_titanmod_Ntwin = 0_pInt
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constitutive_titanmod_slipFamily = 0_pInt
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constitutive_titanmod_twinFamily = 0_pInt
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constitutive_titanmod_slipSystemLattice = 0.0_pReal
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constitutive_titanmod_twinSystemLattice = 0.0_pReal
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constitutive_titanmod_slipSystemLattice = 0_pInt
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constitutive_titanmod_twinSystemLattice = 0_pInt
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constitutive_titanmod_totalNslip = 0_pInt
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constitutive_titanmod_totalNtwin = 0_pInt
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allocate(constitutive_titanmod_CoverA(maxNinstance))
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@ -941,8 +941,8 @@ subroutine homogenization_RGC_stressPenalty(&
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integer(pInt) homID,iGrain,iGNghb,iFace,i,j,k,l
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real(pReal) muGrain,muGNghb,nDefNorm,bgGrain,bgGNghb
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!
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integer(pInt), parameter :: nFace = 6
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real(pReal), parameter :: nDefToler = 1.0e-10
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integer(pInt), parameter :: nFace = 6_pInt
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real(pReal), parameter :: nDefToler = 1.0e-10_pReal
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nGDim = homogenization_RGC_Ngrains(:,homID)
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@ -61,7 +61,7 @@ CONTAINS
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subroutine homogenization_isostrain_init(&
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file & ! file pointer to material configuration
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)
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use, intrinsic :: iso_fortran_env
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use prec, only: pInt, pReal
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use math, only: math_Mandel3333to66, math_Voigt66to3333
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use IO
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@ -328,7 +328,7 @@ pure function homogenization_isostrain_postResults(&
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do o = 1,homogenization_Noutput(mesh_element(3,el))
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select case(homogenization_isostrain_output(o,homID))
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case ('ngrains')
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homogenization_isostrain_postResults(c+1) = homogenization_isostrain_Ngrains(homID)
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homogenization_isostrain_postResults(c+1) = real(homogenization_isostrain_Ngrains(homID),pReal)
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c = c + 1
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end select
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enddo
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163
code/lattice.f90
163
code/lattice.f90
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@ -88,7 +88,7 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
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integer(pInt) :: lattice_fcc_Nstructure = 0_pInt
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real(pReal), dimension(3+3,lattice_fcc_Nslip), parameter :: lattice_fcc_systemSlip = &
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reshape((/&
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reshape(real([&
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! Slip system <110>{111} Sorted according to Eisenlohr & Hantcherli
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0, 1,-1, 1, 1, 1, &
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-1, 0, 1, 1, 1, 1, &
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@ -102,10 +102,10 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
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0, 1, 1, -1, 1,-1, &
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1, 0,-1, -1, 1,-1, &
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-1,-1, 0, -1, 1,-1 &
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/),(/3+3,lattice_fcc_Nslip/))
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],pReal),[ 3_pInt + 3_pInt,lattice_fcc_Nslip])
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real(pReal), dimension(3+3,lattice_fcc_Ntwin), parameter :: lattice_fcc_systemTwin = &
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reshape((/&
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reshape(real( [&
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! Twin system <112>{111} Sorted according to Eisenlohr & Hantcherli
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-2, 1, 1, 1, 1, 1, &
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1,-2, 1, 1, 1, 1, &
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@ -119,27 +119,27 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
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2, 1,-1, -1, 1,-1, &
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-1,-2,-1, -1, 1,-1, &
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-1, 1, 2, -1, 1,-1 &
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/),(/3+3,lattice_fcc_Ntwin/))
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],pReal),[ 3_pInt + 3_pInt ,lattice_fcc_Ntwin])
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real(pReal), dimension(lattice_fcc_Ntwin), parameter :: lattice_fcc_shearTwin = &
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reshape((/&
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reshape([&
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! Twin system <112>{111} Sorted according to Eisenlohr & Hantcherli
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0.7071067812, &
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0.7071067812, &
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0.7071067812, &
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0.7071067812, &
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0.7071067812, &
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0.7071067812, &
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0.7071067812, &
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0.7071067812, &
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0.7071067812, &
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0.7071067812, &
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0.7071067812, &
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0.7071067812 &
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/),(/lattice_fcc_Ntwin/))
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0.7071067812_pReal, &
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0.7071067812_pReal, &
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0.7071067812_pReal, &
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0.7071067812_pReal, &
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0.7071067812_pReal, &
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0.7071067812_pReal, &
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0.7071067812_pReal, &
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0.7071067812_pReal, &
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0.7071067812_pReal, &
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0.7071067812_pReal, &
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0.7071067812_pReal, &
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0.7071067812_pReal &
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],[lattice_fcc_Ntwin])
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integer(pInt), target, dimension(lattice_fcc_Nslip,lattice_fcc_Nslip) :: lattice_fcc_interactionSlipSlip = &
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reshape((/&
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reshape(int( [&
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! Interaction types
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! 1 --- self interaction
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! 2 --- coplanar interaction
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@ -159,10 +159,10 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
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4,5,6,3,5,5,4,6,5,1,2,2, &
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5,3,5,5,4,6,6,4,5,2,1,2, &
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6,5,4,5,6,4,5,5,3,2,2,1 &
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/),(/lattice_fcc_Nslip,lattice_fcc_Nslip/))
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],pInt),[lattice_fcc_Nslip,lattice_fcc_Nslip])
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integer(pInt), target, dimension(lattice_fcc_Ntwin,lattice_fcc_Nslip) :: lattice_fcc_interactionSlipTwin = &
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reshape((/&
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reshape(int( [&
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1,1,1,2,2,1,1,2,2,2,1,2, &
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1,1,1,2,2,1,1,2,2,2,1,2, &
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1,1,1,2,2,1,1,2,2,2,1,2, &
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@ -175,12 +175,12 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
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2,1,2,1,2,2,2,2,1,1,1,1, &
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2,1,2,1,2,2,2,2,1,1,1,1, &
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2,1,2,1,2,2,2,2,1,1,1,1 &
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/),(/lattice_fcc_Ntwin,lattice_fcc_Nslip/))
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],pInt),[lattice_fcc_Ntwin,lattice_fcc_Nslip])
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integer(pInt), target, dimension(lattice_fcc_Nslip,lattice_fcc_Ntwin) :: lattice_fcc_interactionTwinSlip = 0
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integer(pInt), target, dimension(lattice_fcc_Nslip,lattice_fcc_Ntwin) :: lattice_fcc_interactionTwinSlip = 0_pInt
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integer(pInt), target, dimension(lattice_fcc_Ntwin,lattice_fcc_Ntwin) :: lattice_fcc_interactionTwinTwin = &
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reshape((/&
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reshape(int( [&
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1,1,1,2,2,2,2,2,2,2,2,2, &
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1,1,1,2,2,2,2,2,2,2,2,2, &
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1,1,1,2,2,2,2,2,2,2,2,2, &
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@ -193,19 +193,19 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
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2,2,2,2,2,2,2,2,2,1,1,1, &
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2,2,2,2,2,2,2,2,2,1,1,1, &
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2,2,2,2,2,2,2,2,2,1,1,1 &
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/),(/lattice_fcc_Ntwin,lattice_fcc_Ntwin/))
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],pInt),[lattice_fcc_Ntwin,lattice_fcc_Ntwin])
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!============================== bcc (2) =================================
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integer(pInt), parameter, dimension(lattice_maxNslipFamily) :: lattice_bcc_NslipSystem = (/12,12,24, 0, 0/)
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integer(pInt), parameter, dimension(lattice_maxNtwinFamily) :: lattice_bcc_NtwinSystem = (/12, 0, 0, 0/)
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integer(pInt), parameter :: lattice_bcc_Nslip = 48 ! sum(lattice_bcc_NslipSystem)
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integer(pInt), parameter :: lattice_bcc_Ntwin = 12 ! sum(lattice_bcc_NtwinSystem)
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integer(pInt), parameter, dimension(lattice_maxNslipFamily) :: lattice_bcc_NslipSystem = int([ 12,12,24, 0, 0], pInt)
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integer(pInt), parameter, dimension(lattice_maxNtwinFamily) :: lattice_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt)
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integer(pInt), parameter :: lattice_bcc_Nslip = 48_pInt ! sum(lattice_bcc_NslipSystem)
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integer(pInt), parameter :: lattice_bcc_Ntwin = 12_pInt ! sum(lattice_bcc_NtwinSystem)
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integer(pInt) :: lattice_bcc_Nstructure = 0_pInt
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real(pReal), dimension(3+3,lattice_bcc_Nslip), parameter :: lattice_bcc_systemSlip = &
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reshape((/&
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reshape(real([&
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! Slip system <111>{110} meaningful sorting?
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1,-1, 1, 0, 1, 1, &
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-1,-1, 1, 0, 1, 1, &
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@ -257,12 +257,12 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
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1, 1, 1, -3, 2, 1, &
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1, 1,-1, 3,-2, 1, &
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1,-1, 1, 3, 2,-1 &
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/),(/3+3,lattice_bcc_Nslip/))
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],pReal),[ 3_pInt + 3_pInt ,lattice_bcc_Nslip])
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! twin system <111>{112}
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! MISSING: not implemented yet -- now dummy copy from fcc !!
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real(pReal), dimension(3+3,lattice_bcc_Ntwin), parameter :: lattice_bcc_systemTwin = &
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reshape((/&
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reshape(real([&
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! Twin system <112>{111} Sorted according to Eisenlohr & Hantcherli
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-2, 1, 1, 1, 1, 1, &
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1,-2, 1, 1, 1, 1, &
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@ -276,28 +276,28 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
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2, 1,-1, -1, 1,-1, &
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-1,-2,-1, -1, 1,-1, &
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-1, 1, 2, -1, 1,-1 &
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/),(/3+3,lattice_bcc_Ntwin/))
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],pReal),[ 3_pInt + 3_pInt,lattice_bcc_Ntwin])
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real(pReal), dimension(lattice_bcc_Ntwin), parameter :: lattice_bcc_shearTwin = &
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reshape((/&
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reshape([&
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! Twin system {111}<112> just a dummy
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0.123, &
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0.123, &
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0.123, &
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0.123, &
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0.123, &
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0.123, &
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0.123, &
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0.123, &
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0.123, &
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0.123, &
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0.123, &
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0.123 &
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/),(/lattice_bcc_Ntwin/))
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0.123_pReal, &
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0.123_pReal, &
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0.123_pReal, &
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0.123_pReal, &
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0.123_pReal, &
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0.123_pReal, &
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0.123_pReal, &
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0.123_pReal, &
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0.123_pReal, &
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0.123_pReal, &
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0.123_pReal, &
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0.123_pReal &
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],[lattice_bcc_Ntwin])
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!*** slip--slip interactions for BCC structures (2) ***
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integer(pInt), target, dimension(lattice_bcc_Nslip,lattice_bcc_Nslip) :: lattice_bcc_interactionSlipSlip = &
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reshape((/&
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reshape(int( [&
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1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2, &
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2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2, &
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2,2,1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2, &
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@ -346,12 +346,12 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
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2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2,2, &
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2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,2, &
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2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1 &
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/),(/lattice_bcc_Nslip,lattice_bcc_Nslip/))
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],pInt),[lattice_bcc_Nslip,lattice_bcc_Nslip])
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!*** slip--twin interactions for BCC structures (2) ***
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! MISSING: not implemented yet
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integer(pInt), target, dimension(lattice_bcc_Ntwin,lattice_bcc_Nslip) :: lattice_bcc_interactionSlipTwin = &
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reshape((/&
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reshape(int( [&
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0,0,0,0,0,0,0,0,0,0,0,0, &
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0,0,0,0,0,0,0,0,0,0,0,0, &
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0,0,0,0,0,0,0,0,0,0,0,0, &
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@ -400,13 +400,13 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
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0,0,0,0,0,0,0,0,0,0,0,0, &
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0,0,0,0,0,0,0,0,0,0,0,0, &
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0,0,0,0,0,0,0,0,0,0,0,0 &
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/),(/lattice_bcc_Ntwin,lattice_bcc_Nslip/))
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],pInt),[lattice_bcc_Ntwin,lattice_bcc_Nslip])
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!*** twin--slip interactions for BCC structures (2) ***
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! MISSING: not implemented yet
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integer(pInt), target, dimension(lattice_bcc_Nslip,lattice_bcc_Ntwin) :: lattice_bcc_interactionTwinSlip = &
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reshape((/&
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reshape(int( [&
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0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0, &
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0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0, &
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0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0, &
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@ -419,12 +419,12 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
|
|||
0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0, &
|
||||
0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0, &
|
||||
0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 &
|
||||
/),(/lattice_bcc_Nslip,lattice_bcc_Ntwin/))
|
||||
],pInt),[lattice_bcc_Nslip,lattice_bcc_Ntwin])
|
||||
|
||||
!*** twin-twin interactions for BCC structures (2) ***
|
||||
! MISSING: not implemented yet
|
||||
integer(pInt), target, dimension(lattice_bcc_Ntwin,lattice_bcc_Ntwin) :: lattice_bcc_interactionTwinTwin = &
|
||||
reshape((/&
|
||||
reshape(int( [&
|
||||
0,0,0,0,0,0,0,0,0,0,0,0, &
|
||||
0,0,0,0,0,0,0,0,0,0,0,0, &
|
||||
0,0,0,0,0,0,0,0,0,0,0,0, &
|
||||
|
|
@ -437,7 +437,7 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
|
|||
0,0,0,0,0,0,0,0,0,0,0,0, &
|
||||
0,0,0,0,0,0,0,0,0,0,0,0, &
|
||||
0,0,0,0,0,0,0,0,0,0,0,0 &
|
||||
/),(/lattice_bcc_Ntwin,lattice_bcc_Ntwin/))
|
||||
],pInt),[lattice_bcc_Ntwin,lattice_bcc_Ntwin])
|
||||
|
||||
|
||||
!============================== hex (3+) =================================
|
||||
|
|
@ -450,7 +450,7 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
|
|||
|
||||
!* sorted by A. Alankar & P. Eisenlohr
|
||||
real(pReal), dimension(4+4,lattice_hex_Nslip), parameter :: lattice_hex_systemSlip = &
|
||||
reshape((/&
|
||||
reshape(real([&
|
||||
! Basal systems <1120>{0001} (independent of c/a-ratio, Bravais notation (4 coordinate base))
|
||||
2, -1, -1, 0, 0, 0, 0, 1, &
|
||||
-1, 2, -1, 0, 0, 0, 0, 1, &
|
||||
|
|
@ -486,10 +486,10 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
|
|||
-2, 1, 1, -3, -2, 1, 1, 2, &
|
||||
-1, -1, 2, -3, -1, -1, 2, 2, &
|
||||
1, -2, 1, -3, 1, -2, 1, 2 &
|
||||
/),(/4+4,lattice_hex_Nslip/))
|
||||
],pReal),[ 4_pInt + 4_pInt,lattice_hex_Nslip])
|
||||
|
||||
real(pReal), dimension(4+4,lattice_hex_Ntwin), parameter :: lattice_hex_systemTwin = &
|
||||
reshape((/&
|
||||
reshape(real([&
|
||||
0, 1, -1, 1, 0, -1, 1, 2, & ! <-10.1>{10.2} shear = (3-(c/a)^2)/(sqrt(3) c/a)
|
||||
-1, 1, 0, 1, 1, -1, 0, 2, &
|
||||
-1, 0, 1, 1, 1, 0, -1, 2, & !!
|
||||
|
|
@ -514,10 +514,10 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
|
|||
0, -1, 1, -2, 0, -1, 1, 1, &
|
||||
1, -1, 0, -2, 1, -1, 0, 1, &
|
||||
-1, 1, 0, -2, -1, 1, 0, 1 &
|
||||
/),(/4+4,lattice_hex_Ntwin/)) !* Sort? Numbering of twin system follows Prof. Tom Bieler's scheme (to be consistent with his work); but numbering in data was restarted from 1 &
|
||||
],pReal),[ 4_pInt + 4_pInt ,lattice_hex_Ntwin]) !* Sort? Numbering of twin system follows Prof. Tom Bieler's scheme (to be consistent with his work); but numbering in data was restarted from 1 &
|
||||
|
||||
integer(pInt), dimension(lattice_hex_Ntwin), parameter :: lattice_hex_shearTwin = & ! indicator to formula further below
|
||||
reshape((/&
|
||||
reshape(int( [&
|
||||
1, & ! {10.2}<-10.1>
|
||||
1, &
|
||||
1, &
|
||||
|
|
@ -542,7 +542,7 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
|
|||
4, &
|
||||
4, &
|
||||
4 &
|
||||
/),(/lattice_hex_Ntwin/))
|
||||
],pInt),[lattice_hex_Ntwin])
|
||||
|
||||
!* four different interaction type matrix
|
||||
!* 1. slip-slip interaction - 30 types
|
||||
|
|
@ -551,7 +551,7 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
|
|||
!* 4. twin-slip interaction - 16 types
|
||||
|
||||
integer(pInt), target, dimension(lattice_hex_Nslip,lattice_hex_Nslip) :: lattice_hex_interactionSlipSlip = &
|
||||
reshape((/&
|
||||
reshape(int( [&
|
||||
1, 6, 6, 11,11,11, 15,15,15,15,15,15, 18,18,18,18,18,18,18,18,18,18,18,18, 20,20,20,20,20,20, &
|
||||
6, 1, 6, 11,11,11, 15,15,15,15,15,15, 18,18,18,18,18,18,18,18,18,18,18,18, 20,20,20,20,20,20, &
|
||||
6, 6, 1, 11,11,11, 15,15,15,15,15,15, 18,18,18,18,18,18,18,18,18,18,18,18, 20,20,20,20,20,20, &
|
||||
|
|
@ -586,11 +586,11 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
|
|||
30,30,30, 29,29,29, 27,27,27,27,27,27, 24,24,24,24,24,24,24,24,24,24,24,24, 10,10,10, 5,10,10, &
|
||||
30,30,30, 29,29,29, 27,27,27,27,27,27, 24,24,24,24,24,24,24,24,24,24,24,24, 10,10,10,10, 5,10, &
|
||||
30,30,30, 29,29,29, 27,27,27,27,27,27, 24,24,24,24,24,24,24,24,24,24,24,24, 10,10,10,10,10, 5 &
|
||||
/),(/lattice_hex_Nslip,lattice_hex_Nslip/))
|
||||
],pInt),[lattice_hex_Nslip,lattice_hex_Nslip])
|
||||
|
||||
!* isotropic interaction at the moment
|
||||
integer(pInt), target, dimension(lattice_hex_Ntwin,lattice_hex_Nslip) :: lattice_hex_interactionSlipTwin = &
|
||||
reshape((/&
|
||||
reshape(int( [&
|
||||
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, & ! |
|
||||
|
|
@ -625,11 +625,11 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
|
|||
17,17,17,17,17,17, 18,18,18,18,18,18, 19,19,19,19,19,19, 20,20,20,20,20,20, &
|
||||
17,17,17,17,17,17, 18,18,18,18,18,18, 19,19,19,19,19,19, 20,20,20,20,20,20, &
|
||||
17,17,17,17,17,17, 18,18,18,18,18,18, 19,19,19,19,19,19, 20,20,20,20,20,20 &
|
||||
/),(/lattice_hex_Ntwin,lattice_hex_Nslip/))
|
||||
],pInt),[lattice_hex_Ntwin,lattice_hex_Nslip])
|
||||
|
||||
!* isotropic interaction at the moment
|
||||
integer(pInt), target, dimension(lattice_hex_Nslip,lattice_hex_Ntwin) :: lattice_hex_interactionTwinSlip = &
|
||||
reshape((/&
|
||||
reshape(int( [&
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 9, 9, 9, 13,13,13,13,13,13,13,13,13,13,13,13, 17,17,17,17,17,17, & ! --> slip
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 9, 9, 9, 13,13,13,13,13,13,13,13,13,13,13,13, 17,17,17,17,17,17, & ! |
|
||||
1, 1, 1, 5, 5, 5, 9, 9, 9, 9, 9, 9, 13,13,13,13,13,13,13,13,13,13,13,13, 17,17,17,17,17,17, & ! |
|
||||
|
|
@ -657,11 +657,11 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
|
|||
4, 4, 4, 8, 8, 8, 12,12,12,12,12,12, 16,16,16,16,16,16,16,16,16,16,16,16, 20,20,20,20,20,20, &
|
||||
4, 4, 4, 8, 8, 8, 12,12,12,12,12,12, 16,16,16,16,16,16,16,16,16,16,16,16, 20,20,20,20,20,20, &
|
||||
4, 4, 4, 8, 8, 8, 12,12,12,12,12,12, 16,16,16,16,16,16,16,16,16,16,16,16, 20,20,20,20,20,20 &
|
||||
/),(/lattice_hex_Nslip,lattice_hex_Ntwin/))
|
||||
],pInt),[lattice_hex_Nslip,lattice_hex_Ntwin])
|
||||
|
||||
|
||||
integer(pInt), target, dimension(lattice_hex_Ntwin,lattice_hex_Ntwin) :: lattice_hex_interactionTwinTwin = &
|
||||
reshape((/&
|
||||
reshape(int( [&
|
||||
1, 5, 5, 5, 5, 5, 9, 9, 9, 9, 9, 9, 12,12,12,12,12,12, 14,14,14,14,14,14, &
|
||||
5, 1, 5, 5, 5, 5, 9, 9, 9, 9, 9, 9, 12,12,12,12,12,12, 14,14,14,14,14,14, &
|
||||
5, 5, 1, 5, 5, 5, 9, 9, 9, 9, 9, 9, 12,12,12,12,12,12, 14,14,14,14,14,14, &
|
||||
|
|
@ -689,7 +689,7 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
|
|||
20,20,20,20,20,20, 19,19,19,19,19,19, 17,17,17,17,17,17, 8, 8, 8, 4, 8, 8, &
|
||||
20,20,20,20,20,20, 19,19,19,19,19,19, 17,17,17,17,17,17, 8, 8, 8, 8, 4, 8, &
|
||||
20,20,20,20,20,20, 19,19,19,19,19,19, 17,17,17,17,17,17, 8, 8, 8, 8, 8, 4 &
|
||||
/),(/lattice_hex_Ntwin,lattice_hex_Ntwin/))
|
||||
],pInt),[lattice_hex_Ntwin,lattice_hex_Ntwin])
|
||||
|
||||
|
||||
CONTAINS
|
||||
|
|
@ -710,9 +710,9 @@ pure function lattice_symmetryType(structID)
|
|||
integer(pInt) lattice_symmetryType
|
||||
|
||||
select case(structID)
|
||||
case (1,2)
|
||||
case (1_pInt,2_pInt)
|
||||
lattice_symmetryType = 1_pInt
|
||||
case (3:)
|
||||
case (3_pInt:)
|
||||
lattice_symmetryType = 2_pInt
|
||||
case default
|
||||
lattice_symmetryType = 0_pInt
|
||||
|
|
@ -727,6 +727,7 @@ subroutine lattice_init()
|
|||
!**************************************
|
||||
!* Module initialization *
|
||||
!**************************************
|
||||
use, intrinsic :: iso_fortran_env
|
||||
use IO, only: IO_open_file,IO_open_jobFile,IO_countSections,IO_countTagInPart,IO_error
|
||||
use material, only: material_configfile,material_localFileExt,material_partPhase
|
||||
use debug, only: debug_verbosity
|
||||
|
|
@ -742,15 +743,15 @@ subroutine lattice_init()
|
|||
#include "compilation_info.f90"
|
||||
!$OMP END CRITICAL (write2out)
|
||||
|
||||
if (.not. IO_open_jobFile(fileunit,material_localFileExt)) then ! no local material configuration present...
|
||||
if (.not. IO_open_file(fileunit,material_configFile)) call IO_error(100) ! ...and cannot open material.config file
|
||||
if (.not. IO_open_jobFile(fileunit,material_localFileExt)) then ! no local material configuration present...
|
||||
if (.not. IO_open_file(fileunit,material_configFile)) call IO_error(100_pInt) ! ...and cannot open material.config file
|
||||
endif
|
||||
Nsections = IO_countSections(fileunit,material_partPhase)
|
||||
lattice_Nstructure = 2_pInt + sum(IO_countTagInPart(fileunit,material_partPhase,'covera_ratio',Nsections)) ! fcc + bcc + all hex
|
||||
! lattice_Nstructure = Nsections + 2_pInt ! most conservative assumption
|
||||
close(fileunit)
|
||||
|
||||
if (debug_verbosity > 0) then
|
||||
if (debug_verbosity > 0_pInt) then
|
||||
!$OMP CRITICAL (write2out)
|
||||
write(6,'(a16,1x,i5)') '# phases:',Nsections
|
||||
write(6,'(a16,1x,i5)') '# structures:',lattice_Nstructure
|
||||
|
|
@ -773,8 +774,8 @@ subroutine lattice_init()
|
|||
|
||||
allocate(lattice_shearTwin(lattice_maxNtwin,lattice_Nstructure)); lattice_shearTwin = 0.0_pReal
|
||||
|
||||
allocate(lattice_NslipSystem(lattice_maxNslipFamily,lattice_Nstructure)); lattice_NslipSystem = 0.0_pReal
|
||||
allocate(lattice_NtwinSystem(lattice_maxNtwinFamily,lattice_Nstructure)); lattice_NtwinSystem = 0.0_pReal
|
||||
allocate(lattice_NslipSystem(lattice_maxNslipFamily,lattice_Nstructure)); lattice_NslipSystem = 0_pInt
|
||||
allocate(lattice_NtwinSystem(lattice_maxNtwinFamily,lattice_Nstructure)); lattice_NtwinSystem = 0_pInt
|
||||
|
||||
allocate(lattice_interactionSlipSlip(lattice_maxNslip,lattice_maxNslip,lattice_Nstructure)); lattice_interactionSlipSlip = 0_pInt ! other:me
|
||||
allocate(lattice_interactionSlipTwin(lattice_maxNtwin,lattice_maxNslip,lattice_Nstructure)); lattice_interactionSlipTwin = 0_pInt ! other:me
|
||||
|
|
@ -901,13 +902,13 @@ function lattice_initializeStructure(struct,CoverA)
|
|||
tt(1:3,i) = math_vectorproduct(td(1:3,i),tn(1:3,i))
|
||||
|
||||
select case(lattice_hex_shearTwin(i)) ! from Christian & Mahajan 1995 p.29
|
||||
case (1) ! {10.2}<-10.1>
|
||||
case (1_pInt) ! {10.2}<-10.1>
|
||||
ts(i) = (3.0_pReal-CoverA*CoverA)/sqrt(3.0_pReal)/CoverA
|
||||
case (2) ! {11.2}<11.-3>
|
||||
case (2_pInt) ! {11.2}<11.-3>
|
||||
ts(i) = 2.0_pReal*(CoverA*CoverA-2.0_pReal)/3.0_pReal/CoverA
|
||||
case (3) ! {11.1}<-1-1.6>
|
||||
case (3_pInt) ! {11.1}<-1-1.6>
|
||||
ts(i) = 1.0_pReal/CoverA
|
||||
case (4) ! {10.1}<10.-2>
|
||||
case (4_pInt) ! {10.1}<10.-2>
|
||||
ts(i) = (4.0_pReal*CoverA*CoverA-9.0_pReal)/4.0_pReal/sqrt(3.0_pReal)/CoverA
|
||||
end select
|
||||
|
||||
|
|
@ -921,7 +922,7 @@ function lattice_initializeStructure(struct,CoverA)
|
|||
|
||||
if (processMe) then
|
||||
if (myStructure > lattice_Nstructure) &
|
||||
call IO_error(666,0,0,0,'structure index too large') ! check for memory leakage
|
||||
call IO_error(666_pint,0_pInt,0_pInt,0_pInt,'structure index too large') ! check for memory leakage
|
||||
do i = 1,myNslip ! store slip system vectors and Schmid matrix for my structure
|
||||
lattice_sd(1:3,i,myStructure) = sd(1:3,i)
|
||||
lattice_st(1:3,i,myStructure) = st(1:3,i)
|
||||
|
|
|
|||
|
|
@ -31,13 +31,13 @@ MODULE material
|
|||
use prec, only: pReal,pInt
|
||||
implicit none
|
||||
|
||||
character(len=64), parameter :: material_configFile = 'material.config'
|
||||
character(len=64), parameter :: material_localFileExt = 'materialConfig'
|
||||
character(len=32), parameter :: material_partHomogenization = 'homogenization'
|
||||
character(len=32), parameter :: material_partMicrostructure = 'microstructure'
|
||||
character(len=32), parameter :: material_partCrystallite = 'crystallite'
|
||||
character(len=32), parameter :: material_partPhase = 'phase'
|
||||
character(len=32), parameter :: material_partTexture = 'texture'
|
||||
character(len=64), parameter, public :: material_configFile = 'material.config'
|
||||
character(len=64), parameter, public :: material_localFileExt = 'materialConfig'
|
||||
character(len=32), parameter, public :: material_partHomogenization = 'homogenization'
|
||||
character(len=32), parameter, private :: material_partMicrostructure = 'microstructure'
|
||||
character(len=32), parameter, public :: material_partCrystallite = 'crystallite'
|
||||
character(len=32), parameter, public :: material_partPhase = 'phase'
|
||||
character(len=32), parameter, private :: material_partTexture = 'texture'
|
||||
|
||||
|
||||
!*************************************
|
||||
|
|
@ -106,6 +106,8 @@ subroutine material_init()
|
|||
!*********************************************************************
|
||||
!* Module initialization *
|
||||
!**************************************
|
||||
|
||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
||||
use prec, only: pReal,pInt
|
||||
use IO, only: IO_error, IO_open_file, IO_open_jobFile
|
||||
use debug, only: debug_verbosity
|
||||
|
|
@ -123,7 +125,7 @@ subroutine material_init()
|
|||
!$OMP END CRITICAL (write2out)
|
||||
|
||||
if (.not. IO_open_jobFile(fileunit,material_localFileExt)) then ! no local material configuration present...
|
||||
if (.not. IO_open_file(fileunit,material_configFile)) call IO_error(100) ! ...and cannot open material.config file
|
||||
if (.not. IO_open_file(fileunit,material_configFile)) call IO_error(100_pInt) ! ...and cannot open material.config file
|
||||
endif
|
||||
call material_parseHomogenization(fileunit,material_partHomogenization)
|
||||
if (debug_verbosity > 0) then
|
||||
|
|
@ -159,18 +161,18 @@ subroutine material_init()
|
|||
|
||||
do i = 1,material_Nmicrostructure
|
||||
if (microstructure_crystallite(i) < 1 .or. &
|
||||
microstructure_crystallite(i) > material_Ncrystallite) call IO_error(150,i)
|
||||
microstructure_crystallite(i) > material_Ncrystallite) call IO_error(150_pInt,i)
|
||||
if (minval(microstructure_phase(1:microstructure_Nconstituents(i),i)) < 1 .or. &
|
||||
maxval(microstructure_phase(1:microstructure_Nconstituents(i),i)) > material_Nphase) call IO_error(155,i)
|
||||
maxval(microstructure_phase(1:microstructure_Nconstituents(i),i)) > material_Nphase) call IO_error(155_pInt,i)
|
||||
if (minval(microstructure_texture(1:microstructure_Nconstituents(i),i)) < 1 .or. &
|
||||
maxval(microstructure_texture(1:microstructure_Nconstituents(i),i)) > material_Ntexture) call IO_error(160,i)
|
||||
maxval(microstructure_texture(1:microstructure_Nconstituents(i),i)) > material_Ntexture) call IO_error(160_pInt,i)
|
||||
if (abs(sum(microstructure_fraction(:,i)) - 1.0_pReal) >= 1.0e-10_pReal) then
|
||||
if (debug_verbosity > 0) then
|
||||
!$OMP CRITICAL (write2out)
|
||||
write(6,*)'sum of microstructure fraction = ',sum(microstructure_fraction(:,i))
|
||||
!$OMP END CRITICAL (write2out)
|
||||
endif
|
||||
call IO_error(170,i)
|
||||
call IO_error(170_pInt,i)
|
||||
endif
|
||||
enddo
|
||||
if (debug_verbosity > 0) then
|
||||
|
|
@ -217,7 +219,7 @@ subroutine material_parseHomogenization(file,myPart)
|
|||
|
||||
character(len=*), intent(in) :: myPart
|
||||
integer(pInt), intent(in) :: file
|
||||
integer(pInt), parameter :: maxNchunks = 2
|
||||
integer(pInt), parameter :: maxNchunks = 2_pInt
|
||||
integer(pInt), dimension(1+2*maxNchunks) :: positions
|
||||
integer(pInt) Nsections, section, s
|
||||
character(len=64) tag
|
||||
|
|
@ -225,7 +227,7 @@ subroutine material_parseHomogenization(file,myPart)
|
|||
|
||||
Nsections = IO_countSections(file,myPart)
|
||||
material_Nhomogenization = Nsections
|
||||
if (Nsections < 1_pInt) call IO_error(125,ext_msg=myPart)
|
||||
if (Nsections < 1_pInt) call IO_error(125_pInt,ext_msg=myPart)
|
||||
|
||||
allocate(homogenization_name(Nsections)); homogenization_name = ''
|
||||
allocate(homogenization_type(Nsections)); homogenization_type = ''
|
||||
|
|
@ -253,18 +255,18 @@ subroutine material_parseHomogenization(file,myPart)
|
|||
section = section + 1
|
||||
homogenization_name(section) = IO_getTag(line,'[',']')
|
||||
endif
|
||||
if (section > 0) then
|
||||
if (section > 0_pInt) then
|
||||
positions = IO_stringPos(line,maxNchunks)
|
||||
tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
|
||||
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
|
||||
select case(tag)
|
||||
case ('type')
|
||||
homogenization_type(section) = IO_lc(IO_stringValue(line,positions,2)) ! adding: IO_lc function <<<updated 31.07.2009>>>
|
||||
do s = 1,section
|
||||
homogenization_type(section) = IO_lc(IO_stringValue(line,positions,2_pInt)) ! adding: IO_lc function <<<updated 31.07.2009>>>
|
||||
do s = 1_pInt,section
|
||||
if (homogenization_type(s) == homogenization_type(section)) &
|
||||
homogenization_typeInstance(section) = homogenization_typeInstance(section) + 1 ! count instances
|
||||
homogenization_typeInstance(section) = homogenization_typeInstance(section) + 1_pInt ! count instances
|
||||
enddo
|
||||
case ('ngrains')
|
||||
homogenization_Ngrains(section) = IO_intValue(line,positions,2)
|
||||
homogenization_Ngrains(section) = IO_intValue(line,positions,2_pInt)
|
||||
end select
|
||||
endif
|
||||
enddo
|
||||
|
|
@ -285,15 +287,15 @@ subroutine material_parseMicrostructure(file,myPart)
|
|||
|
||||
character(len=*), intent(in) :: myPart
|
||||
integer(pInt), intent(in) :: file
|
||||
integer(pInt), parameter :: maxNchunks = 7
|
||||
integer(pInt), dimension(1+2*maxNchunks) :: positions
|
||||
integer(pInt), parameter :: maxNchunks = 7_pInt
|
||||
integer(pInt), dimension(1_pInt+2_pInt*maxNchunks) :: positions
|
||||
integer(pInt) Nsections, section, constituent, e, i
|
||||
character(len=64) tag
|
||||
character(len=1024) line
|
||||
|
||||
Nsections = IO_countSections(file,myPart)
|
||||
material_Nmicrostructure = Nsections
|
||||
if (Nsections < 1_pInt) call IO_error(125,ext_msg=myPart)
|
||||
if (Nsections < 1_pInt) call IO_error(125_pInt,ext_msg=myPart)
|
||||
|
||||
allocate(microstructure_name(Nsections)); microstructure_name = ''
|
||||
allocate(microstructure_crystallite(Nsections)); microstructure_crystallite = 0_pInt
|
||||
|
|
@ -330,21 +332,21 @@ subroutine material_parseMicrostructure(file,myPart)
|
|||
endif
|
||||
if (section > 0) then
|
||||
positions = IO_stringPos(line,maxNchunks)
|
||||
tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
|
||||
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
|
||||
select case(tag)
|
||||
case ('crystallite')
|
||||
microstructure_crystallite(section) = IO_intValue(line,positions,2)
|
||||
microstructure_crystallite(section) = IO_intValue(line,positions,2_pInt)
|
||||
case ('(constituent)')
|
||||
constituent = constituent + 1
|
||||
do i=2,6,2
|
||||
tag = IO_lc(IO_stringValue(line,positions,i))
|
||||
select case (tag)
|
||||
case('phase')
|
||||
microstructure_phase(constituent,section) = IO_intValue(line,positions,i+1)
|
||||
microstructure_phase(constituent,section) = IO_intValue(line,positions,i+1_pInt)
|
||||
case('texture')
|
||||
microstructure_texture(constituent,section) = IO_intValue(line,positions,i+1)
|
||||
microstructure_texture(constituent,section) = IO_intValue(line,positions,i+1_pInt)
|
||||
case('fraction')
|
||||
microstructure_fraction(constituent,section) = IO_floatValue(line,positions,i+1)
|
||||
microstructure_fraction(constituent,section) = IO_floatValue(line,positions,i+1_pInt)
|
||||
end select
|
||||
enddo
|
||||
end select
|
||||
|
|
@ -370,7 +372,7 @@ subroutine material_parseCrystallite(file,myPart)
|
|||
|
||||
Nsections = IO_countSections(file,myPart)
|
||||
material_Ncrystallite = Nsections
|
||||
if (Nsections < 1_pInt) call IO_error(125,ext_msg=myPart)
|
||||
if (Nsections < 1_pInt) call IO_error(125_pInt,ext_msg=myPart)
|
||||
|
||||
allocate(crystallite_name(Nsections)); crystallite_name = ''
|
||||
allocate(crystallite_Noutput(Nsections)); crystallite_Noutput = 0_pInt
|
||||
|
|
@ -416,7 +418,7 @@ subroutine material_parsePhase(file,myPart)
|
|||
|
||||
Nsections = IO_countSections(file,myPart)
|
||||
material_Nphase = Nsections
|
||||
if (Nsections < 1_pInt) call IO_error(125,ext_msg=myPart)
|
||||
if (Nsections < 1_pInt) call IO_error(125_pInt,ext_msg=myPart)
|
||||
|
||||
allocate(phase_name(Nsections)); phase_name = ''
|
||||
allocate(phase_constitution(Nsections)); phase_constitution = ''
|
||||
|
|
@ -443,12 +445,12 @@ subroutine material_parsePhase(file,myPart)
|
|||
section = section + 1
|
||||
phase_name(section) = IO_getTag(line,'[',']')
|
||||
endif
|
||||
if (section > 0) then
|
||||
if (section > 0_pInt) then
|
||||
positions = IO_stringPos(line,maxNchunks)
|
||||
tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
|
||||
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
|
||||
select case(tag)
|
||||
case ('constitution')
|
||||
phase_constitution(section) = IO_lc(IO_stringValue(line,positions,2))
|
||||
phase_constitution(section) = IO_lc(IO_stringValue(line,positions,2_pInt))
|
||||
do s = 1,section
|
||||
if (phase_constitution(s) == phase_constitution(section)) &
|
||||
phase_constitutionInstance(section) = phase_constitutionInstance(section) + 1 ! count instances
|
||||
|
|
@ -480,7 +482,7 @@ subroutine material_parseTexture(file,myPart)
|
|||
|
||||
Nsections = IO_countSections(file,myPart)
|
||||
material_Ntexture = Nsections
|
||||
if (Nsections < 1_pInt) call IO_error(125,ext_msg=myPart)
|
||||
if (Nsections < 1_pInt) call IO_error(125_pInt,ext_msg=myPart)
|
||||
|
||||
allocate(texture_name(Nsections)); texture_name = ''
|
||||
allocate(texture_ODFfile(Nsections)); texture_ODFfile = ''
|
||||
|
|
@ -516,14 +518,14 @@ subroutine material_parseTexture(file,myPart)
|
|||
endif
|
||||
if (section > 0) then
|
||||
positions = IO_stringPos(line,maxNchunks)
|
||||
tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
|
||||
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
|
||||
select case(tag)
|
||||
|
||||
case ('hybridia')
|
||||
texture_ODFfile(section) = IO_stringValue(line,positions,2)
|
||||
texture_ODFfile(section) = IO_stringValue(line,positions,2_pInt)
|
||||
|
||||
case ('symmetry')
|
||||
tag = IO_lc(IO_stringValue(line,positions,2))
|
||||
tag = IO_lc(IO_stringValue(line,positions,2_pInt))
|
||||
select case (tag)
|
||||
case('orthotropic')
|
||||
texture_symmetry(section) = 4
|
||||
|
|
@ -540,9 +542,9 @@ subroutine material_parseTexture(file,myPart)
|
|||
tag = IO_lc(IO_stringValue(line,positions,i))
|
||||
select case (tag)
|
||||
case('scatter')
|
||||
texture_Gauss(4,gauss,section) = IO_floatValue(line,positions,i+1)*inRad
|
||||
texture_Gauss(4,gauss,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
||||
case('fraction')
|
||||
texture_Gauss(5,gauss,section) = IO_floatValue(line,positions,i+1)
|
||||
texture_Gauss(5,gauss,section) = IO_floatValue(line,positions,i+1_pInt)
|
||||
end select
|
||||
enddo
|
||||
|
||||
|
|
@ -552,15 +554,15 @@ subroutine material_parseTexture(file,myPart)
|
|||
tag = IO_lc(IO_stringValue(line,positions,i))
|
||||
select case (tag)
|
||||
case('phi1')
|
||||
texture_Gauss(1,gauss,section) = IO_floatValue(line,positions,i+1)*inRad
|
||||
texture_Gauss(1,gauss,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
||||
case('phi')
|
||||
texture_Gauss(2,gauss,section) = IO_floatValue(line,positions,i+1)*inRad
|
||||
texture_Gauss(2,gauss,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
||||
case('phi2')
|
||||
texture_Gauss(3,gauss,section) = IO_floatValue(line,positions,i+1)*inRad
|
||||
texture_Gauss(3,gauss,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
||||
case('scatter')
|
||||
texture_Gauss(4,gauss,section) = IO_floatValue(line,positions,i+1)*inRad
|
||||
texture_Gauss(4,gauss,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
||||
case('fraction')
|
||||
texture_Gauss(5,gauss,section) = IO_floatValue(line,positions,i+1)
|
||||
texture_Gauss(5,gauss,section) = IO_floatValue(line,positions,i+1_pInt)
|
||||
end select
|
||||
enddo
|
||||
|
||||
|
|
@ -570,17 +572,17 @@ subroutine material_parseTexture(file,myPart)
|
|||
tag = IO_lc(IO_stringValue(line,positions,i))
|
||||
select case (tag)
|
||||
case('alpha1')
|
||||
texture_Fiber(1,fiber,section) = IO_floatValue(line,positions,i+1)*inRad
|
||||
texture_Fiber(1,fiber,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
||||
case('alpha2')
|
||||
texture_Fiber(2,fiber,section) = IO_floatValue(line,positions,i+1)*inRad
|
||||
texture_Fiber(2,fiber,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
||||
case('beta1')
|
||||
texture_Fiber(3,fiber,section) = IO_floatValue(line,positions,i+1)*inRad
|
||||
texture_Fiber(3,fiber,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
||||
case('beta2')
|
||||
texture_Fiber(4,fiber,section) = IO_floatValue(line,positions,i+1)*inRad
|
||||
texture_Fiber(4,fiber,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
||||
case('scatter')
|
||||
texture_Fiber(5,fiber,section) = IO_floatValue(line,positions,i+1)*inRad
|
||||
texture_Fiber(5,fiber,section) = IO_floatValue(line,positions,i+1_pInt)*inRad
|
||||
case('fraction')
|
||||
texture_Fiber(6,fiber,section) = IO_floatValue(line,positions,i+1)
|
||||
texture_Fiber(6,fiber,section) = IO_floatValue(line,positions,i+1_pInt)
|
||||
end select
|
||||
enddo
|
||||
|
||||
|
|
@ -643,9 +645,9 @@ subroutine material_populateGrains()
|
|||
homog = mesh_element(3,e)
|
||||
micro = mesh_element(4,e)
|
||||
if (homog < 1 .or. homog > material_Nhomogenization) & ! out of bounds
|
||||
call IO_error(130,e,0,0)
|
||||
call IO_error(130_pInt,e,0_pInt,0_pInt)
|
||||
if (micro < 1 .or. micro > material_Nmicrostructure) & ! out of bounds
|
||||
call IO_error(140,e,0,0)
|
||||
call IO_error(140_pInt,e,0_pInt,0_pInt)
|
||||
if (microstructure_elemhomo(micro)) then
|
||||
dGrains = homogenization_Ngrains(homog)
|
||||
else
|
||||
|
|
@ -688,7 +690,8 @@ subroutine material_populateGrains()
|
|||
do hme = 1_pInt, Nelems(homog,micro)
|
||||
e = elemsOfHomogMicro(hme,homog,micro) ! my combination of homog and micro, only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex
|
||||
if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
|
||||
volumeOfGrain(grain+1:grain+dGrains) = sum(mesh_ipVolume(1:FE_Nips(mesh_element(2,e)),e))/dGrains
|
||||
volumeOfGrain(grain+1:grain+dGrains) = sum(mesh_ipVolume(1:FE_Nips(mesh_element(2,e)),e))/&
|
||||
real(dGrains,pReal)
|
||||
grain = grain + dGrains ! wind forward by NgrainsPerIP
|
||||
else
|
||||
forall (i = 1:FE_Nips(mesh_element(2,e))) & ! loop over IPs
|
||||
|
|
@ -707,8 +710,8 @@ subroutine material_populateGrains()
|
|||
extreme = 0.0_pReal
|
||||
t = 0_pInt
|
||||
do i = 1,microstructure_Nconstituents(micro) ! find largest deviator
|
||||
if (sgn*log(NgrainsOfConstituent(i)/myNgrains/microstructure_fraction(i,micro)) > extreme) then
|
||||
extreme = sgn*log(NgrainsOfConstituent(i)/myNgrains/microstructure_fraction(i,micro))
|
||||
if (real(sgn,pReal)*log(NgrainsOfConstituent(i)/myNgrains/microstructure_fraction(i,micro)) > extreme) then
|
||||
extreme = real(sgn,pReal)*log(NgrainsOfConstituent(i)/myNgrains/microstructure_fraction(i,micro))
|
||||
t = i
|
||||
endif
|
||||
enddo
|
||||
|
|
@ -726,7 +729,8 @@ subroutine material_populateGrains()
|
|||
phaseOfGrain(grain+1:grain+NgrainsOfConstituent(i)) = phaseID ! assign resp. phase
|
||||
textureOfGrain(grain+1:grain+NgrainsOfConstituent(i)) = textureID ! assign resp. texture
|
||||
|
||||
myNorientations = ceiling(float(NgrainsOfConstituent(i))/texture_symmetry(textureID)) ! max number of unique orientations (excl. symmetry)
|
||||
myNorientations = ceiling(real(NgrainsOfConstituent(i),pReal)/&
|
||||
real(texture_symmetry(textureID),pReal)) ! max number of unique orientations (excl. symmetry)
|
||||
|
||||
constituentGrain = 0_pInt ! constituent grain index
|
||||
! ---------
|
||||
|
|
@ -758,7 +762,7 @@ subroutine material_populateGrains()
|
|||
else ! hybrid IA
|
||||
! ---------
|
||||
orientationOfGrain(:,grain+1:grain+myNorientations) = IO_hybridIA(myNorientations,texture_ODFfile(textureID))
|
||||
if (all(orientationOfGrain(:,grain+1) == -1.0_pReal)) call IO_error(105)
|
||||
if (all(orientationOfGrain(:,grain+1) == -1.0_pReal)) call IO_error(105_pInt)
|
||||
constituentGrain = constituentGrain + myNorientations
|
||||
|
||||
endif
|
||||
|
|
|
|||
499
code/mesh.f90
499
code/mesh.f90
File diff suppressed because it is too large
Load Diff
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Reference in New Issue