some comments to be seen in documentation
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Martin Diehl
parent
ecd8823fc0
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0434ef3daa
101
code/lattice.f90
101
code/lattice.f90
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@ -39,25 +39,25 @@ module lattice
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!************************************
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integer(pInt), parameter, public :: &
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lattice_maxNslipFamily = 5_pInt, & !> max # of slip system families over lattice structures
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lattice_maxNtwinFamily = 4_pInt, & !> max # of twin system families over lattice structures
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lattice_maxNslip = 54_pInt, & !> max # of slip systems over lattice structures
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lattice_maxNtwin = 24_pInt, & !> max # of twin systems over lattice structures
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lattice_maxNinteraction = 30_pInt !> max # of interaction types (in hardening matrix part)
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lattice_maxNslipFamily = 5_pInt, & !< max # of slip system families over lattice structures
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lattice_maxNtwinFamily = 4_pInt, & !< max # of twin system families over lattice structures
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lattice_maxNslip = 54_pInt, & !< max # of slip systems over lattice structures
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lattice_maxNtwin = 24_pInt, & !< max # of twin systems over lattice structures
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lattice_maxNinteraction = 30_pInt !< max # of interaction types (in hardening matrix part)
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integer(pInt), allocatable, dimension(:,:), public :: &
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lattice_NslipSystem, & !> number of slip systems in each family
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lattice_NtwinSystem !> number of twin systems in each family
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lattice_NslipSystem, & !< # of slip systems in each family
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lattice_NtwinSystem !< # of twin systems in each family
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integer(pInt), allocatable, dimension(:,:,:), public :: &
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lattice_interactionSlipSlip, & !> interaction type between slip/slip
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lattice_interactionSlipTwin, & !> interaction type between slip/twin
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lattice_interactionTwinSlip, & !> interaction type between twin/slip
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lattice_interactionTwinTwin !> interaction type between twin/twin
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lattice_interactionSlipSlip, & !< interaction type between slip/slip
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lattice_interactionSlipTwin, & !< interaction type between slip/twin
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lattice_interactionTwinSlip, & !< interaction type between twin/slip
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lattice_interactionTwinTwin !< interaction type between twin/twin
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real(pReal), allocatable, dimension(:,:,:,:), public :: &
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lattice_Sslip !> Schmid matrices, normal, shear direction and d x n of slip systems
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lattice_Sslip !< Schmid matrices, normal, shear direction and d x n of slip systems
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real(pReal), allocatable, dimension(:,:,:), public :: &
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lattice_Sslip_v, &
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@ -77,11 +77,11 @@ module lattice
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lattice_tt
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real(pReal), allocatable, dimension(:,:), public :: &
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lattice_shearTwin !> characteristic twin shear
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lattice_shearTwin !< characteristic twin shear
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integer(pInt), private :: &
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lattice_Nhexagonal, & !> # of hexagonal lattice structure (from tag CoverA_ratio)
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lattice_Nstructure !> # of lattice structures (1: fcc,2: bcc,3+: hexagonal)
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lattice_Nhexagonal, & !< # of hexagonal lattice structure (from tag CoverA_ratio)
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lattice_Nstructure !< # of lattice structures (1: fcc,2: bcc,3+: hexagonal)
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integer(pInt), dimension(:,:), pointer, private :: &
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interactionSlipSlip, &
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@ -89,7 +89,8 @@ module lattice
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interactionTwinSlip, &
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interactionTwinTwin
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!============================== fcc (1) =================================
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!--------------------------------------------------------------------------------------------------
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! fcc (1)
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integer(pInt), dimension(lattice_maxNslipFamily), parameter, private :: &
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lattice_fcc_NslipSystem = int([12, 0, 0, 0, 0],pInt)
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@ -106,7 +107,6 @@ module lattice
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real(pReal), dimension(3+3,lattice_fcc_Nslip), parameter, private :: &
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lattice_fcc_systemSlip = 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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1,-1, 0, 1, 1, 1, &
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@ -119,11 +119,10 @@ module lattice
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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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],pReal),[ 3_pInt + 3_pInt,lattice_fcc_Nslip])
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],pReal),[ 3_pInt + 3_pInt,lattice_fcc_Nslip]) !< Slip system <110>{111} Sorted according to Eisenlohr & Hantcherli
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real(pReal), dimension(3+3,lattice_fcc_Ntwin), parameter, private :: &
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lattice_fcc_systemTwin = 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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1, 1,-2, 1, 1, 1, &
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@ -136,11 +135,10 @@ module lattice
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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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],pReal),[ 3_pInt + 3_pInt ,lattice_fcc_Ntwin])
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],pReal),[ 3_pInt + 3_pInt ,lattice_fcc_Ntwin]) !< Twin system <112>{111} Sorted according to Eisenlohr & Hantcherli
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real(pReal), dimension(lattice_fcc_Ntwin), parameter, private :: &
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lattice_fcc_shearTwin = reshape([&
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! Twin system <112>{111} Sorted according to Eisenlohr & Hantcherli
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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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@ -153,17 +151,10 @@ module lattice
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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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],[lattice_fcc_Ntwin]) !< Twin system <112>{111} Sorted according to Eisenlohr & Hantcherli
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integer(pInt), dimension(lattice_fcc_Nslip,lattice_fcc_Nslip), target, private :: &
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lattice_fcc_interactionSlipSlip = 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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! 3 --- collinear interaction
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! 4 --- Hirth locks
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! 5 --- glissile junctions
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! 6 --- Lomer locks
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1,2,2,4,6,5,3,5,5,4,5,6, &
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2,1,2,6,4,5,5,4,6,5,3,5, &
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2,2,1,5,5,3,5,6,4,6,5,4, &
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@ -177,6 +168,13 @@ module lattice
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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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],pInt),[lattice_fcc_Nslip,lattice_fcc_Nslip])
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!< Interaction types
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!< 1 --- self interaction
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!< 2 --- coplanar interaction
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!< 3 --- collinear interaction
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!< 4 --- Hirth locks
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!< 5 --- glissile junctions
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!< 6 --- Lomer locks
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integer(pInt), dimension(lattice_fcc_Ntwin,lattice_fcc_Nslip), target, private :: &
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lattice_fcc_interactionSlipTwin = reshape(int( [&
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@ -214,7 +212,8 @@ module lattice
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],pInt),[lattice_fcc_Ntwin,lattice_fcc_Ntwin])
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!============================== bcc (2) =================================
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!--------------------------------------------------------------------------------------------------
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! bcc (2)
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integer(pInt), dimension(lattice_maxNslipFamily), parameter, private :: &
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lattice_bcc_NslipSystem = int([ 12,12,24, 0, 0], pInt)
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@ -307,7 +306,6 @@ module lattice
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real(pReal), dimension(lattice_bcc_Ntwin), parameter, private :: &
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lattice_bcc_shearTwin = reshape([&
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! Twin system {111}<112> just a dummy
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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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@ -320,9 +318,9 @@ module lattice
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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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],[lattice_bcc_Ntwin]) ! Twin system {111}<112> just a dummy
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!*** slip--slip interactions for BCC structures (2) ***
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!> slip--slip interactions for BCC structures (2)
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integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Nslip), target, private :: &
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lattice_bcc_interactionSlipSlip = 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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@ -375,8 +373,7 @@ module lattice
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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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],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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!> slip--twin interactions for BCC structures (2) MISSING: not implemented yet
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integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Nslip), target, private :: &
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lattice_bcc_interactionSlipTwin = reshape(int( [&
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0,0,0,0,0,0,0,0,0,0,0,0, &
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@ -430,8 +427,7 @@ module lattice
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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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!>twin--slip interactions for BCC structures (2) MISSING: not implemented yet
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integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Ntwin), target, private :: &
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lattice_bcc_interactionTwinSlip = 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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@ -448,8 +444,7 @@ module lattice
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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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],pInt),[lattice_bcc_Nslip,lattice_bcc_Ntwin])
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!*** twin-twin interactions for BCC structures (2) ***
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! MISSING: not implemented yet
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!> twin-twin interactions for BCC structures (2) MISSING: not implemented yet
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integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Ntwin), target, private :: &
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lattice_bcc_interactionTwinTwin = reshape(int( [&
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0,0,0,0,0,0,0,0,0,0,0,0, &
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@ -467,7 +462,8 @@ module lattice
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],pInt),[lattice_bcc_Ntwin,lattice_bcc_Ntwin])
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!============================== hex (3+) =================================
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!--------------------------------------------------------------------------------------------------
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! hex (3+)
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integer(pInt), dimension(lattice_maxNslipFamily), parameter, private :: &
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lattice_hex_NslipSystem = int([ 3, 3, 6,12, 6],pInt)
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@ -734,12 +730,12 @@ module lattice
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief Maps structure to symmetry type
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!> @details fcc(1) and bcc(2) are cubic(1) hex(3+) is hexagonal(2)
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!--------------------------------------------------------------------------------------------------
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integer(pInt) pure function lattice_symmetryType(structID)
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!**************************************
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!* maps structure to symmetry type *
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!* fcc(1) and bcc(2) are cubic(1) *
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!* hex(3+) is hexagonal(2) *
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!**************************************
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implicit none
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integer(pInt), intent(in) :: structID
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@ -758,10 +754,11 @@ integer(pInt) pure function lattice_symmetryType(structID)
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end function lattice_symmetryType
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!--------------------------------------------------------------------------------------------------
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!> @brief Module initialization
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!--------------------------------------------------------------------------------------------------
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subroutine lattice_init
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!**************************************
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!* Module initialization *
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!**************************************
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use IO, only: IO_open_file,&
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IO_open_jobFile_stat, &
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@ -832,11 +829,10 @@ subroutine lattice_init
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end subroutine lattice_init
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!--------------------------------------------------------------------------------------------------
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!> @brief Calculation of Schmid matrices, etc.
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!--------------------------------------------------------------------------------------------------
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integer(pInt) function lattice_initializeStructure(struct,CoverA)
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!**************************************
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!* Calculation of Schmid *
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!* matrices, etc. *
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!**************************************
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use prec, only: pReal,pInt
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use math, only: math_vectorproduct, &
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math_tensorproduct, &
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@ -1003,5 +999,4 @@ integer(pInt) function lattice_initializeStructure(struct,CoverA)
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end function lattice_initializeStructure
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end module lattice
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