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!--------------------------------------------------------------------------------------------------
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief defines lattice structure definitions, slip and twin system definitions, Schimd matrix
!> calculation and non-Schmid behavior
!--------------------------------------------------------------------------------------------------
module lattice
use prec , only : &
pReal , &
pInt
implicit none
private
integer ( pInt ) , parameter , public :: &
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LATTICE_maxNslipFamily = 13_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_maxNtransFamily = 1_pInt , & !< max # of transformation system families over lattice structures
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LATTICE_maxNcleavageFamily = 3_pInt !< max # of transformation system families over lattice structures
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! BEGIN DEPRECATED
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integer ( pInt ) , allocatable , dimension ( : , : ) , protected , public :: &
lattice_NslipSystem , & !< total # of slip systems in each family
lattice_NtwinSystem , & !< total # of twin systems in each family
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lattice_NtransSystem , & !< total # of transformation systems in each family
lattice_NcleavageSystem !< total # of transformation systems in each family
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integer ( pInt ) , allocatable , dimension ( : , : , : ) , protected , public :: &
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lattice_interactionSlipSlip , & !< Slip--slip interaction type
lattice_interactionSlipTwin , & !< Slip--twin interaction type
lattice_interactionTwinSlip , & !< Twin--slip interaction type
lattice_interactionTwinTwin , & !< Twin--twin interaction type
lattice_interactionSlipTrans , & !< Slip--trans interaction type
lattice_interactionTransSlip , & !< Trans--slip interaction type
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lattice_interactionTransTrans !< Trans--trans interaction type
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real ( pReal ) , allocatable , dimension ( : , : , : , : , : ) , protected , public :: &
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lattice_Sslip , & !< Schmid and non-Schmid matrices
lattice_Scleavage !< Schmid matrices for cleavage systems
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real ( pReal ) , allocatable , dimension ( : , : , : , : ) , protected , public :: &
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lattice_Sslip_v , & !< Mandel notation of lattice_Sslip
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lattice_Scleavage_v , & !< Mandel notation of lattice_Scleavege
lattice_Qtrans , & !< Total rotation: Q = R*B
lattice_Strans , & !< Eigendeformation tensor for phase transformation
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lattice_Stwin , &
lattice_Qtwin
real ( pReal ) , allocatable , dimension ( : , : , : ) , protected , public :: &
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lattice_sn , & !< normal direction of slip system
lattice_st , & !< sd x sn
lattice_sd , & !< slip direction of slip system
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lattice_Stwin_v , &
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lattice_Strans_v , & !< Eigendeformation tensor in vector form
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lattice_projectionTrans !< Matrix for projection of slip to fault-band (twin) systems for strain-induced martensite nucleation
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real ( pReal ) , allocatable , dimension ( : , : ) , protected , public :: &
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lattice_shearTwin , & !< characteristic twin shear
lattice_shearTrans !< characteristic transformation shear
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integer ( pInt ) , allocatable , dimension ( : ) , protected , public :: &
lattice_NnonSchmid !< total # of non-Schmid contributions for each structure
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real ( pReal ) , allocatable , dimension ( : , : , : ) , private :: &
lattice_tn , &
lattice_td , &
lattice_tt
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! END DEPRECATED
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!--------------------------------------------------------------------------------------------------
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! face centered cubic
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integer ( pInt ) , dimension ( LATTICE_maxNslipFamily ) , parameter , public :: &
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LATTICE_fcc_NslipSystem = int ( [ 12 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 ] , pInt ) !< # of slip systems per family for fcc
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integer ( pInt ) , dimension ( LATTICE_maxNtwinFamily ) , parameter , public :: &
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LATTICE_fcc_NtwinSystem = int ( [ 12 , 0 , 0 , 0 ] , pInt ) !< # of twin systems per family for fcc
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integer ( pInt ) , dimension ( LATTICE_maxNtransFamily ) , parameter , public :: &
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LATTICE_fcc_NtransSystem = int ( [ 12 ] , pInt ) !< # of transformation systems per family for fcc
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integer ( pInt ) , dimension ( LATTICE_maxNcleavageFamily ) , parameter , public :: &
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LATTICE_fcc_NcleavageSystem = int ( [ 3 , 4 , 0 ] , pInt ) !< # of cleavage systems per family for fcc
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integer ( pInt ) , parameter , private :: &
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LATTICE_fcc_Nslip = sum ( lattice_fcc_NslipSystem ) , & !< total # of slip systems for fcc
LATTICE_fcc_Ntwin = sum ( lattice_fcc_NtwinSystem ) , & !< total # of twin systems for fcc
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LATTICE_fcc_NnonSchmid = 0_pInt , & !< total # of non-Schmid contributions for fcc
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LATTICE_fcc_Ntrans = sum ( lattice_fcc_NtransSystem ) , & !< total # of transformation systems for fcc
LATTICE_fcc_Ncleavage = sum ( lattice_fcc_NcleavageSystem ) !< total # of cleavage systems for fcc
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real ( pReal ) , dimension ( 3 + 3 , LATTICE_fcc_Nslip ) , parameter , private :: &
LATTICE_fcc_systemSlip = reshape ( real ( [ &
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! Slip direction Plane normal ! SCHMID-BOAS notation
0 , 1 , - 1 , 1 , 1 , 1 , & ! B2
- 1 , 0 , 1 , 1 , 1 , 1 , & ! B4
1 , - 1 , 0 , 1 , 1 , 1 , & ! B5
0 , - 1 , - 1 , - 1 , - 1 , 1 , & ! C1
1 , 0 , 1 , - 1 , - 1 , 1 , & ! C3
- 1 , 1 , 0 , - 1 , - 1 , 1 , & ! C5
0 , - 1 , 1 , 1 , - 1 , - 1 , & ! A2
- 1 , 0 , - 1 , 1 , - 1 , - 1 , & ! A3
1 , 1 , 0 , 1 , - 1 , - 1 , & ! A6
0 , 1 , 1 , - 1 , 1 , - 1 , & ! D1
1 , 0 , - 1 , - 1 , 1 , - 1 , & ! D4
- 1 , - 1 , 0 , - 1 , 1 , - 1 & ! D6
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] , pReal ) , [ 3_pInt + 3_pInt , LATTICE_fcc_Nslip ] ) !< Slip system <110>{111} directions. Sorted according to Eisenlohr & Hantcherli
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character ( len = * ) , dimension ( 1 ) , parameter , public :: LATTICE_FCC_SLIPFAMILY_NAME = &
[ '<0 1 -1>{1 1 1}' ]
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real ( pReal ) , dimension ( 3 + 3 , LATTICE_fcc_Ntwin ) , parameter , private :: &
LATTICE_fcc_systemTwin = reshape ( real ( [ &
- 2 , 1 , 1 , 1 , 1 , 1 , &
1 , - 2 , 1 , 1 , 1 , 1 , &
1 , 1 , - 2 , 1 , 1 , 1 , &
2 , - 1 , 1 , - 1 , - 1 , 1 , &
- 1 , 2 , 1 , - 1 , - 1 , 1 , &
- 1 , - 1 , - 2 , - 1 , - 1 , 1 , &
- 2 , - 1 , - 1 , 1 , - 1 , - 1 , &
1 , 2 , - 1 , 1 , - 1 , - 1 , &
1 , - 1 , 2 , 1 , - 1 , - 1 , &
2 , 1 , - 1 , - 1 , 1 , - 1 , &
- 1 , - 2 , - 1 , - 1 , 1 , - 1 , &
- 1 , 1 , 2 , - 1 , 1 , - 1 &
] , pReal ) , [ 3_pInt + 3_pInt , LATTICE_fcc_Ntwin ] ) !< Twin system <112>{111} directions. Sorted according to Eisenlohr & Hantcherli
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character ( len = * ) , dimension ( 1 ) , parameter , public :: LATTICE_FCC_TWINFAMILY_NAME = &
[ '<-2 1 1>{1 1 1}' ]
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real ( pReal ) , dimension ( 3 + 3 , LATTICE_fcc_Ntrans ) , parameter , private :: &
LATTICE_fccTohex_systemTrans = reshape ( real ( [ &
- 2 , 1 , 1 , 1 , 1 , 1 , &
1 , - 2 , 1 , 1 , 1 , 1 , &
1 , 1 , - 2 , 1 , 1 , 1 , &
2 , - 1 , 1 , - 1 , - 1 , 1 , &
- 1 , 2 , 1 , - 1 , - 1 , 1 , &
- 1 , - 1 , - 2 , - 1 , - 1 , 1 , &
- 2 , - 1 , - 1 , 1 , - 1 , - 1 , &
1 , 2 , - 1 , 1 , - 1 , - 1 , &
1 , - 1 , 2 , 1 , - 1 , - 1 , &
2 , 1 , - 1 , - 1 , 1 , - 1 , &
- 1 , - 2 , - 1 , - 1 , 1 , - 1 , &
- 1 , 1 , 2 , - 1 , 1 , - 1 &
] , pReal ) , [ 3_pInt + 3_pInt , LATTICE_fcc_Ntrans ] )
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real ( pReal ) , dimension ( LATTICE_fcc_Ntwin ) , parameter , private :: &
LATTICE_fcc_shearTwin = 0.5_pReal * sqrt ( 2.0_pReal ) !< Twin system <112>{111} ??? Sorted according to Eisenlohr & Hantcherli
integer ( pInt ) , dimension ( 2_pInt , LATTICE_fcc_Ntwin ) , parameter , public :: &
LATTICE_fcc_twinNucleationSlipPair = reshape ( int ( [ &
2 , 3 , &
1 , 3 , &
1 , 2 , &
5 , 6 , &
4 , 6 , &
4 , 5 , &
8 , 9 , &
7 , 9 , &
7 , 8 , &
11 , 12 , &
10 , 12 , &
10 , 11 &
] , pInt ) , [ 2_pInt , LATTICE_fcc_Ntwin ] )
integer ( pInt ) , dimension ( LATTICE_fcc_Nslip , lattice_fcc_Nslip ) , parameter , public :: &
LATTICE_fcc_interactionSlipSlip = reshape ( int ( [ &
1 , 2 , 2 , 4 , 6 , 5 , 3 , 5 , 5 , 4 , 5 , 6 , & ! ---> slip
2 , 1 , 2 , 6 , 4 , 5 , 5 , 4 , 6 , 5 , 3 , 5 , & ! |
2 , 2 , 1 , 5 , 5 , 3 , 5 , 6 , 4 , 6 , 5 , 4 , & ! |
4 , 6 , 5 , 1 , 2 , 2 , 4 , 5 , 6 , 3 , 5 , 5 , & ! v slip
6 , 4 , 5 , 2 , 1 , 2 , 5 , 3 , 5 , 5 , 4 , 6 , &
5 , 5 , 3 , 2 , 2 , 1 , 6 , 5 , 4 , 5 , 6 , 4 , &
3 , 5 , 5 , 4 , 5 , 6 , 1 , 2 , 2 , 4 , 6 , 5 , &
5 , 4 , 6 , 5 , 3 , 5 , 2 , 1 , 2 , 6 , 4 , 5 , &
5 , 6 , 4 , 6 , 5 , 4 , 2 , 2 , 1 , 5 , 5 , 3 , &
4 , 5 , 6 , 3 , 5 , 5 , 4 , 6 , 5 , 1 , 2 , 2 , &
5 , 3 , 5 , 5 , 4 , 6 , 6 , 4 , 5 , 2 , 1 , 2 , &
6 , 5 , 4 , 5 , 6 , 4 , 5 , 5 , 3 , 2 , 2 , 1 &
] , pInt ) , [ LATTICE_fcc_Nslip , LATTICE_fcc_Nslip ] , order = [ 2 , 1 ] ) !< Slip--slip interaction types for fcc
!< 1: self interaction
!< 2: coplanar interaction
!< 3: collinear interaction
!< 4: Hirth locks
!< 5: glissile junctions
!< 6: Lomer locks
integer ( pInt ) , dimension ( LATTICE_fcc_Nslip , LATTICE_fcc_Ntwin ) , parameter , public :: &
LATTICE_fcc_interactionSlipTwin = reshape ( int ( [ &
1 , 1 , 1 , 3 , 3 , 3 , 2 , 2 , 2 , 3 , 3 , 3 , & ! ---> twin
1 , 1 , 1 , 3 , 3 , 3 , 3 , 3 , 3 , 2 , 2 , 2 , & ! |
1 , 1 , 1 , 2 , 2 , 2 , 3 , 3 , 3 , 3 , 3 , 3 , & ! |
3 , 3 , 3 , 1 , 1 , 1 , 3 , 3 , 3 , 2 , 2 , 2 , & ! v slip
3 , 3 , 3 , 1 , 1 , 1 , 2 , 2 , 2 , 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 , &
3 , 3 , 3 , 2 , 2 , 2 , 1 , 1 , 1 , 3 , 3 , 3 , &
3 , 3 , 3 , 3 , 3 , 3 , 1 , 1 , 1 , 2 , 2 , 2 , &
3 , 3 , 3 , 2 , 2 , 2 , 3 , 3 , 3 , 1 , 1 , 1 , &
2 , 2 , 2 , 3 , 3 , 3 , 3 , 3 , 3 , 1 , 1 , 1 , &
3 , 3 , 3 , 3 , 3 , 3 , 2 , 2 , 2 , 1 , 1 , 1 &
] , pInt ) , [ LATTICE_fcc_Nslip , LATTICE_fcc_Ntwin ] , order = [ 2 , 1 ] ) !< Slip--twin interaction types for fcc
!< 1: coplanar interaction
!< 2: screw trace between slip system and twin habit plane (easy cross slip)
!< 3: other interaction
integer ( pInt ) , dimension ( LATTICE_fcc_Ntwin , LATTICE_fcc_Nslip ) , parameter , public :: &
LATTICE_fcc_interactionTwinSlip = 1_pInt !< Twin--Slip interaction types for fcc
integer ( pInt ) , dimension ( LATTICE_fcc_Ntwin , LATTICE_fcc_Ntwin ) , parameter , public :: &
LATTICE_fcc_interactionTwinTwin = reshape ( int ( [ &
1 , 1 , 1 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , & ! ---> twin
1 , 1 , 1 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , & ! |
1 , 1 , 1 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , & ! |
2 , 2 , 2 , 1 , 1 , 1 , 2 , 2 , 2 , 2 , 2 , 2 , & ! v twin
2 , 2 , 2 , 1 , 1 , 1 , 2 , 2 , 2 , 2 , 2 , 2 , &
2 , 2 , 2 , 1 , 1 , 1 , 2 , 2 , 2 , 2 , 2 , 2 , &
2 , 2 , 2 , 2 , 2 , 2 , 1 , 1 , 1 , 2 , 2 , 2 , &
2 , 2 , 2 , 2 , 2 , 2 , 1 , 1 , 1 , 2 , 2 , 2 , &
2 , 2 , 2 , 2 , 2 , 2 , 1 , 1 , 1 , 2 , 2 , 2 , &
2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 1 , 1 , 1 , &
2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 1 , 1 , 1 , &
2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 1 , 1 , 1 &
] , pInt ) , [ lattice_fcc_Ntwin , lattice_fcc_Ntwin ] , order = [ 2 , 1 ] ) !< Twin--twin interaction types for fcc
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integer ( pInt ) , dimension ( LATTICE_fcc_Nslip , LATTICE_fcc_Ntrans ) , parameter , public :: &
LATTICE_fccTohex_interactionSlipTrans = reshape ( int ( [ &
1 , 1 , 1 , 3 , 3 , 3 , 2 , 2 , 2 , 3 , 3 , 3 , & ! ---> trans
1 , 1 , 1 , 3 , 3 , 3 , 3 , 3 , 3 , 2 , 2 , 2 , & ! |
1 , 1 , 1 , 2 , 2 , 2 , 3 , 3 , 3 , 3 , 3 , 3 , & ! |
3 , 3 , 3 , 1 , 1 , 1 , 3 , 3 , 3 , 2 , 2 , 2 , & ! v slip
3 , 3 , 3 , 1 , 1 , 1 , 2 , 2 , 2 , 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 , &
3 , 3 , 3 , 2 , 2 , 2 , 1 , 1 , 1 , 3 , 3 , 3 , &
3 , 3 , 3 , 3 , 3 , 3 , 1 , 1 , 1 , 2 , 2 , 2 , &
3 , 3 , 3 , 2 , 2 , 2 , 3 , 3 , 3 , 1 , 1 , 1 , &
2 , 2 , 2 , 3 , 3 , 3 , 3 , 3 , 3 , 1 , 1 , 1 , &
3 , 3 , 3 , 3 , 3 , 3 , 2 , 2 , 2 , 1 , 1 , 1 &
] , pInt ) , [ LATTICE_fcc_Nslip , LATTICE_fcc_Ntrans ] , order = [ 2 , 1 ] ) !< Slip--trans interaction types for fcc
integer ( pInt ) , dimension ( LATTICE_fcc_Ntrans , LATTICE_fcc_Nslip ) , parameter , public :: &
LATTICE_fccTohex_interactionTransSlip = 1_pInt !< Trans--Slip interaction types for fcc
integer ( pInt ) , dimension ( LATTICE_fcc_Ntrans , LATTICE_fcc_Ntrans ) , parameter , public :: &
LATTICE_fccTohex_interactionTransTrans = reshape ( int ( [ &
1 , 1 , 1 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , & ! ---> trans
1 , 1 , 1 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , & ! |
1 , 1 , 1 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , & ! |
2 , 2 , 2 , 1 , 1 , 1 , 2 , 2 , 2 , 2 , 2 , 2 , & ! v trans
2 , 2 , 2 , 1 , 1 , 1 , 2 , 2 , 2 , 2 , 2 , 2 , &
2 , 2 , 2 , 1 , 1 , 1 , 2 , 2 , 2 , 2 , 2 , 2 , &
2 , 2 , 2 , 2 , 2 , 2 , 1 , 1 , 1 , 2 , 2 , 2 , &
2 , 2 , 2 , 2 , 2 , 2 , 1 , 1 , 1 , 2 , 2 , 2 , &
2 , 2 , 2 , 2 , 2 , 2 , 1 , 1 , 1 , 2 , 2 , 2 , &
2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 1 , 1 , 1 , &
2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 1 , 1 , 1 , &
2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 2 , 1 , 1 , 1 &
] , pInt ) , [ LATTICE_fcc_Ntrans , LATTICE_fcc_Ntrans ] , order = [ 2 , 1 ] ) !< Trans--trans interaction types for fcc
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real ( pReal ) , dimension ( LATTICE_fcc_Ntrans ) , parameter , private :: &
LATTICE_fccTohex_shearTrans = sqrt ( 2.0_pReal ) / 4.0_pReal
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real ( pReal ) , dimension ( 4 , LATTICE_fcc_Ntrans ) , parameter , private :: &
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LATTICE_fccTobcc_systemTrans = reshape ( [ &
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0.0 , 1.0 , 0.0 , 1 0.26 , & ! Pitsch OR (Ma & Hartmaier 2014, Table 3)
0.0 , 1.0 , 0.0 , - 1 0.26 , &
0.0 , 0.0 , 1.0 , 1 0.26 , &
0.0 , 0.0 , 1.0 , - 1 0.26 , &
1.0 , 0.0 , 0.0 , 1 0.26 , &
1.0 , 0.0 , 0.0 , - 1 0.26 , &
0.0 , 0.0 , 1.0 , 1 0.26 , &
0.0 , 0.0 , 1.0 , - 1 0.26 , &
1.0 , 0.0 , 0.0 , 1 0.26 , &
1.0 , 0.0 , 0.0 , - 1 0.26 , &
0.0 , 1.0 , 0.0 , 1 0.26 , &
0.0 , 1.0 , 0.0 , - 1 0.26 &
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] , [ 4_pInt , LATTICE_fcc_Ntrans ] )
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integer ( pInt ) , dimension ( 9 , LATTICE_fcc_Ntrans ) , parameter , private :: &
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LATTICE_fccTobcc_bainVariant = reshape ( int ( [ &
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1 , 0 , 0 , 0 , 1 , 0 , 0 , 0 , 1 , & ! Pitsch OR (Ma & Hartmaier 2014, Table 3)
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1 , 0 , 0 , 0 , 1 , 0 , 0 , 0 , 1 , &
1 , 0 , 0 , 0 , 1 , 0 , 0 , 0 , 1 , &
1 , 0 , 0 , 0 , 1 , 0 , 0 , 0 , 1 , &
0 , 1 , 0 , 1 , 0 , 0 , 0 , 0 , 1 , &
0 , 1 , 0 , 1 , 0 , 0 , 0 , 0 , 1 , &
0 , 1 , 0 , 1 , 0 , 0 , 0 , 0 , 1 , &
0 , 1 , 0 , 1 , 0 , 0 , 0 , 0 , 1 , &
0 , 0 , 1 , 1 , 0 , 0 , 0 , 1 , 0 , &
0 , 0 , 1 , 1 , 0 , 0 , 0 , 1 , 0 , &
0 , 0 , 1 , 1 , 0 , 0 , 0 , 1 , 0 , &
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0 , 0 , 1 , 1 , 0 , 0 , 0 , 1 , 0 &
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] , pInt ) , [ 9_pInt , LATTICE_fcc_Ntrans ] )
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real ( pReal ) , dimension ( 4 , LATTICE_fcc_Ntrans ) , parameter , private :: &
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LATTICE_fccTobcc_bainRot = reshape ( [ &
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1.0 , 0.0 , 0.0 , 4 5.0 , & ! Rotate fcc austensite to bain variant
1.0 , 0.0 , 0.0 , 4 5.0 , &
1.0 , 0.0 , 0.0 , 4 5.0 , &
1.0 , 0.0 , 0.0 , 4 5.0 , &
0.0 , 1.0 , 0.0 , 4 5.0 , &
0.0 , 1.0 , 0.0 , 4 5.0 , &
0.0 , 1.0 , 0.0 , 4 5.0 , &
0.0 , 1.0 , 0.0 , 4 5.0 , &
0.0 , 0.0 , 1.0 , 4 5.0 , &
0.0 , 0.0 , 1.0 , 4 5.0 , &
0.0 , 0.0 , 1.0 , 4 5.0 , &
0.0 , 0.0 , 1.0 , 4 5.0 &
] , [ 4_pInt , LATTICE_fcc_Ntrans ] )
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real ( pReal ) , dimension ( LATTICE_fcc_Ntrans , LATTICE_fcc_Ntrans ) , parameter , private :: & ! Matrix for projection of shear from slip system to fault-band (twin) systems
LATTICE_fccTobcc_projectionTrans = reshape ( real ( [ & ! For ns = nt = nr
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0 , 1 , - 1 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , &
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- 1 , 0 , 1 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , &
1 , - 1 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , &
0 , 0 , 0 , 0 , 1 , - 1 , 0 , 0 , 0 , 0 , 0 , 0 , &
0 , 0 , 0 , - 1 , 0 , 1 , 0 , 0 , 0 , 0 , 0 , 0 , &
0 , 0 , 0 , 1 , - 1 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , &
0 , 0 , 0 , 0 , 0 , 0 , 0 , 1 , - 1 , 0 , 0 , 0 , &
0 , 0 , 0 , 0 , 0 , 0 , - 1 , 0 , 1 , 0 , 0 , 0 , &
0 , 0 , 0 , 0 , 0 , 0 , 1 , - 1 , 0 , 0 , 0 , 0 , &
0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 1 , - 1 , &
0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , - 1 , 0 , 1 , &
0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 1 , - 1 , 0 &
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] , pReal ) , [ LATTICE_fcc_Ntrans , LATTICE_fcc_Ntrans ] , order = [ 2 , 1 ] )
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real ( pReal ) , parameter , private :: &
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LATTICE_fccTobcc_projectionTransFactor = sqrt ( 3.0_pReal / 4.0_pReal )
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real ( pReal ) , parameter , public :: &
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LATTICE_fccTobcc_shearCritTrans = 0.0224
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integer ( pInt ) , dimension ( 2_pInt , LATTICE_fcc_Ntrans ) , parameter , public :: &
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LATTICE_fccTobcc_transNucleationTwinPair = reshape ( int ( [ &
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4 , 7 , &
1 , 10 , &
1 , 4 , &
7 , 10 , &
2 , 8 , &
5 , 11 , &
8 , 11 , &
2 , 5 , &
6 , 12 , &
3 , 9 , &
3 , 12 , &
6 , 9 &
] , pInt ) , [ 2_pInt , LATTICE_fcc_Ntrans ] )
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real ( pReal ) , dimension ( 3 + 3 , LATTICE_fcc_Ncleavage ) , parameter , private :: &
LATTICE_fcc_systemCleavage = reshape ( real ( [ &
! Cleavage direction Plane normal
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0 , 1 , 0 , 1 , 0 , 0 , &
0 , 0 , 1 , 0 , 1 , 0 , &
1 , 0 , 0 , 0 , 0 , 1 , &
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0 , 1 , - 1 , 1 , 1 , 1 , &
0 , - 1 , - 1 , - 1 , - 1 , 1 , &
- 1 , 0 , - 1 , 1 , - 1 , - 1 , &
0 , 1 , 1 , - 1 , 1 , - 1 &
] , pReal ) , [ 3_pInt + 3_pInt , LATTICE_fcc_Ncleavage ] )
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!--------------------------------------------------------------------------------------------------
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! body centered cubic
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integer ( pInt ) , dimension ( LATTICE_maxNslipFamily ) , parameter , public :: &
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LATTICE_bcc_NslipSystem = int ( [ 12 , 12 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 ] , pInt ) !< # of slip systems per family for bcc
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integer ( pInt ) , dimension ( LATTICE_maxNtwinFamily ) , parameter , public :: &
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LATTICE_bcc_NtwinSystem = int ( [ 12 , 0 , 0 , 0 ] , pInt ) !< # of twin systems per family for bcc
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integer ( pInt ) , dimension ( LATTICE_maxNtransFamily ) , parameter , public :: &
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LATTICE_bcc_NtransSystem = int ( [ 0 ] , pInt ) !< # of transformation systems per family for bcc
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integer ( pInt ) , dimension ( LATTICE_maxNcleavageFamily ) , parameter , public :: &
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LATTICE_bcc_NcleavageSystem = int ( [ 3 , 6 , 0 ] , pInt ) !< # of cleavage systems per family for bcc
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integer ( pInt ) , parameter , private :: &
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LATTICE_bcc_Nslip = sum ( lattice_bcc_NslipSystem ) , & !< total # of slip systems for bcc
LATTICE_bcc_Ntwin = sum ( lattice_bcc_NtwinSystem ) , & !< total # of twin systems for bcc
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LATTICE_bcc_NnonSchmid = 6_pInt , & !< total # of non-Schmid contributions for bcc (A. Koester, A. Ma, A. Hartmaier 2012)
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LATTICE_bcc_Ntrans = sum ( lattice_bcc_NtransSystem ) , & !< total # of transformation systems for bcc
LATTICE_bcc_Ncleavage = sum ( lattice_bcc_NcleavageSystem ) !< total # of cleavage systems for bcc
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real ( pReal ) , dimension ( 3 + 3 , LATTICE_bcc_Nslip ) , parameter , private :: &
LATTICE_bcc_systemSlip = reshape ( real ( [ &
! Slip direction Plane normal
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! Slip system <111>{110}
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1 , - 1 , 1 , 0 , 1 , 1 , &
- 1 , - 1 , 1 , 0 , 1 , 1 , &
1 , 1 , 1 , 0 , - 1 , 1 , &
- 1 , 1 , 1 , 0 , - 1 , 1 , &
- 1 , 1 , 1 , 1 , 0 , 1 , &
- 1 , - 1 , 1 , 1 , 0 , 1 , &
1 , 1 , 1 , - 1 , 0 , 1 , &
1 , - 1 , 1 , - 1 , 0 , 1 , &
- 1 , 1 , 1 , 1 , 1 , 0 , &
- 1 , 1 , - 1 , 1 , 1 , 0 , &
1 , 1 , 1 , - 1 , 1 , 0 , &
1 , 1 , - 1 , - 1 , 1 , 0 , &
! Slip system <111>{112}
- 1 , 1 , 1 , 2 , 1 , 1 , &
1 , 1 , 1 , - 2 , 1 , 1 , &
1 , 1 , - 1 , 2 , - 1 , 1 , &
1 , - 1 , 1 , 2 , 1 , - 1 , &
1 , - 1 , 1 , 1 , 2 , 1 , &
1 , 1 , - 1 , - 1 , 2 , 1 , &
1 , 1 , 1 , 1 , - 2 , 1 , &
- 1 , 1 , 1 , 1 , 2 , - 1 , &
1 , 1 , - 1 , 1 , 1 , 2 , &
1 , - 1 , 1 , - 1 , 1 , 2 , &
- 1 , 1 , 1 , 1 , - 1 , 2 , &
1 , 1 , 1 , 1 , 1 , - 2 &
! Slip system <111>{123}
! 1, 1,-1, 1, 2, 3, &
! 1,-1, 1, -1, 2, 3, &
! -1, 1, 1, 1,-2, 3, &
! 1, 1, 1, 1, 2,-3, &
! 1,-1, 1, 1, 3, 2, &
! 1, 1,-1, -1, 3, 2, &
! 1, 1, 1, 1,-3, 2, &
! -1, 1, 1, 1, 3,-2, &
! 1, 1,-1, 2, 1, 3, &
! 1,-1, 1, -2, 1, 3, &
! -1, 1, 1, 2,-1, 3, &
! 1, 1, 1, 2, 1,-3, &
! 1,-1, 1, 2, 3, 1, &
! 1, 1,-1, -2, 3, 1, &
! 1, 1, 1, 2,-3, 1, &
! -1, 1, 1, 2, 3,-1, &
! -1, 1, 1, 3, 1, 2, &
! 1, 1, 1, -3, 1, 2, &
! 1, 1,-1, 3,-1, 2, &
! 1,-1, 1, 3, 1,-2, &
! -1, 1, 1, 3, 2, 1, &
! 1, 1, 1, -3, 2, 1, &
! 1, 1,-1, 3,-2, 1, &
! 1,-1, 1, 3, 2,-1 &
] , pReal ) , [ 3_pInt + 3_pInt , LATTICE_bcc_Nslip ] )
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character ( len = * ) , dimension ( 2 ) , parameter , public :: LATTICE_BCC_SLIPFAMILY_NAME = &
[ '<1 -1 1>{0 1 1}' , &
'<1 -1 1>{2 1 1}' ]
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real ( pReal ) , dimension ( 3 + 3 , LATTICE_bcc_Ntwin ) , parameter , private :: &
LATTICE_bcc_systemTwin = reshape ( real ( [ &
! Twin system <111>{112}
- 1 , 1 , 1 , 2 , 1 , 1 , &
1 , 1 , 1 , - 2 , 1 , 1 , &
1 , 1 , - 1 , 2 , - 1 , 1 , &
1 , - 1 , 1 , 2 , 1 , - 1 , &
1 , - 1 , 1 , 1 , 2 , 1 , &
1 , 1 , - 1 , - 1 , 2 , 1 , &
1 , 1 , 1 , 1 , - 2 , 1 , &
- 1 , 1 , 1 , 1 , 2 , - 1 , &
1 , 1 , - 1 , 1 , 1 , 2 , &
1 , - 1 , 1 , - 1 , 1 , 2 , &
- 1 , 1 , 1 , 1 , - 1 , 2 , &
1 , 1 , 1 , 1 , 1 , - 2 &
] , pReal ) , [ 3_pInt + 3_pInt , LATTICE_bcc_Ntwin ] )
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character ( len = * ) , dimension ( 1 ) , parameter , public :: LATTICE_BCC_TWINFAMILY_NAME = &
[ '<1 1 1>{2 1 1}' ]
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real ( pReal ) , dimension ( LATTICE_bcc_Ntwin ) , parameter , private :: &
LATTICE_bcc_shearTwin = 0.5_pReal * sqrt ( 2.0_pReal )
integer ( pInt ) , dimension ( LATTICE_bcc_Nslip , LATTICE_bcc_Nslip ) , parameter , public :: &
LATTICE_bcc_interactionSlipSlip = reshape ( int ( [ &
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1 , 2 , 6 , 6 , 5 , 4 , 4 , 3 , 4 , 3 , 5 , 4 , 6 , 6 , 4 , 3 , 3 , 4 , 6 , 6 , 4 , 3 , 6 , 6 , & ! ---> slip
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2 , 1 , 6 , 6 , 4 , 3 , 5 , 4 , 5 , 4 , 4 , 3 , 6 , 6 , 3 , 4 , 4 , 3 , 6 , 6 , 3 , 4 , 6 , 6 , & ! |
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 , & ! v slip
5 , 4 , 4 , 3 , 1 , 2 , 6 , 6 , 3 , 4 , 5 , 4 , 3 , 6 , 4 , 6 , 6 , 4 , 6 , 3 , 4 , 6 , 3 , 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 , &
3 , 4 , 4 , 5 , 6 , 6 , 2 , 1 , 4 , 3 , 4 , 5 , 6 , 4 , 6 , 3 , 3 , 6 , 4 , 6 , 6 , 3 , 6 , 4 , &
4 , 5 , 4 , 3 , 3 , 4 , 5 , 4 , 1 , 2 , 6 , 6 , 3 , 6 , 6 , 4 , 4 , 6 , 6 , 3 , 6 , 4 , 3 , 6 , &
3 , 4 , 5 , 4 , 4 , 5 , 4 , 3 , 2 , 1 , 6 , 6 , 4 , 6 , 6 , 3 , 3 , 6 , 6 , 4 , 6 , 3 , 4 , 6 , &
5 , 4 , 3 , 4 , 5 , 4 , 3 , 4 , 6 , 6 , 1 , 2 , 6 , 3 , 4 , 6 , 6 , 4 , 3 , 6 , 4 , 6 , 6 , 3 , &
4 , 3 , 4 , 5 , 4 , 3 , 4 , 5 , 6 , 6 , 2 , 1 , 6 , 4 , 3 , 6 , 6 , 3 , 4 , 6 , 3 , 6 , 6 , 4 , &
!
6 , 6 , 4 , 3 , 3 , 4 , 6 , 6 , 3 , 4 , 6 , 6 , 1 , 5 , 6 , 6 , 5 , 6 , 6 , 3 , 5 , 6 , 3 , 6 , &
6 , 6 , 3 , 4 , 6 , 6 , 3 , 4 , 6 , 6 , 3 , 4 , 5 , 1 , 6 , 6 , 6 , 5 , 3 , 6 , 6 , 5 , 6 , 3 , &
4 , 3 , 6 , 6 , 4 , 3 , 6 , 6 , 6 , 6 , 4 , 3 , 6 , 6 , 1 , 5 , 6 , 3 , 5 , 6 , 3 , 6 , 5 , 6 , &
3 , 4 , 6 , 6 , 6 , 6 , 4 , 3 , 4 , 3 , 6 , 6 , 6 , 6 , 5 , 1 , 3 , 6 , 6 , 5 , 6 , 3 , 6 , 5 , &
3 , 4 , 6 , 6 , 6 , 6 , 4 , 3 , 4 , 3 , 6 , 6 , 5 , 6 , 6 , 3 , 1 , 6 , 5 , 6 , 5 , 3 , 6 , 6 , &
4 , 3 , 6 , 6 , 4 , 3 , 6 , 6 , 6 , 6 , 4 , 3 , 6 , 5 , 3 , 6 , 6 , 1 , 6 , 5 , 3 , 5 , 6 , 6 , &
6 , 6 , 3 , 4 , 6 , 6 , 3 , 4 , 6 , 6 , 3 , 4 , 6 , 3 , 5 , 6 , 5 , 6 , 1 , 6 , 6 , 6 , 5 , 3 , &
6 , 6 , 4 , 3 , 3 , 4 , 6 , 6 , 3 , 4 , 6 , 6 , 3 , 6 , 6 , 5 , 6 , 5 , 6 , 1 , 6 , 6 , 3 , 5 , &
4 , 3 , 6 , 6 , 4 , 3 , 6 , 6 , 6 , 6 , 4 , 3 , 5 , 6 , 3 , 6 , 5 , 3 , 6 , 6 , 1 , 6 , 6 , 5 , &
3 , 4 , 6 , 6 , 6 , 6 , 4 , 3 , 4 , 3 , 6 , 6 , 6 , 5 , 6 , 3 , 3 , 5 , 6 , 6 , 6 , 1 , 5 , 6 , &
6 , 6 , 4 , 3 , 3 , 4 , 6 , 6 , 3 , 4 , 6 , 6 , 3 , 6 , 5 , 6 , 6 , 6 , 5 , 3 , 6 , 5 , 1 , 6 , &
6 , 6 , 3 , 4 , 6 , 6 , 3 , 4 , 6 , 6 , 3 , 4 , 6 , 3 , 6 , 5 , 6 , 6 , 3 , 5 , 5 , 6 , 6 , 1 &
] , pInt ) , [ lattice_bcc_Nslip , lattice_bcc_Nslip ] , order = [ 2 , 1 ] ) !< Slip--slip interaction types for bcc from Queyreau et al. Int J Plast 25 (2009) 361– 377
!< 1: self interaction
!< 2: coplanar interaction
!< 3: collinear interaction
!< 4: mixed-asymmetrical junction
!< 5: mixed-symmetrical junction
!< 6: edge junction
integer ( pInt ) , dimension ( LATTICE_bcc_Nslip , LATTICE_bcc_Ntwin ) , parameter , public :: &
LATTICE_bcc_interactionSlipTwin = reshape ( int ( [ &
3 , 3 , 3 , 2 , 2 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , & ! ---> twin
3 , 3 , 2 , 3 , 3 , 2 , 3 , 3 , 2 , 3 , 3 , 3 , & ! |
3 , 2 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , 3 , 3 , 2 , & ! |
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2 , 3 , 3 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , 2 , 3 , & ! v slip
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2 , 3 , 3 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , 2 , 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 , 3 , 3 , 2 , 2 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , &
2 , 3 , 3 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , 2 , 3 , &
3 , 3 , 3 , 2 , 2 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , &
3 , 2 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , 3 , 3 , 2 , &
3 , 3 , 2 , 3 , 3 , 2 , 3 , 3 , 2 , 3 , 3 , 3 , &
!
1 , 3 , 3 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , 2 , 3 , &
3 , 1 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , 3 , 3 , 2 , &
3 , 3 , 1 , 3 , 3 , 2 , 3 , 3 , 2 , 3 , 3 , 3 , &
3 , 3 , 3 , 1 , 2 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , &
3 , 3 , 3 , 2 , 1 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , &
3 , 3 , 2 , 3 , 3 , 1 , 3 , 3 , 2 , 3 , 3 , 3 , &
3 , 2 , 3 , 3 , 3 , 3 , 1 , 3 , 3 , 3 , 3 , 2 , &
2 , 3 , 3 , 3 , 3 , 3 , 3 , 1 , 3 , 3 , 2 , 3 , &
3 , 3 , 2 , 3 , 3 , 2 , 3 , 3 , 1 , 3 , 3 , 3 , &
3 , 3 , 3 , 2 , 2 , 3 , 3 , 3 , 3 , 1 , 3 , 3 , &
2 , 3 , 3 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , 1 , 3 , &
3 , 2 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , 3 , 3 , 1 &
] , pInt ) , [ LATTICE_bcc_Nslip , LATTICE_bcc_Ntwin ] , order = [ 2 , 1 ] ) !< Slip--twin interaction types for bcc
!< 1: coplanar interaction
!< 2: screw trace between slip system and twin habit plane (easy cross slip)
!< 3: other interaction
integer ( pInt ) , dimension ( LATTICE_bcc_Ntwin , LATTICE_bcc_Nslip ) , parameter , public :: &
LATTICE_bcc_interactionTwinSlip = 1_pInt !< Twin--slip interaction types for bcc @todo not implemented yet
integer ( pInt ) , dimension ( LATTICE_bcc_Ntwin , LATTICE_bcc_Ntwin ) , parameter , public :: &
LATTICE_bcc_interactionTwinTwin = reshape ( int ( [ &
1 , 3 , 3 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , 2 , 3 , & ! ---> twin
3 , 1 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , 3 , 3 , 2 , & ! |
3 , 3 , 1 , 3 , 3 , 2 , 3 , 3 , 2 , 3 , 3 , 3 , & ! |
3 , 3 , 3 , 1 , 2 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , & ! v twin
3 , 3 , 3 , 2 , 1 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , &
3 , 3 , 2 , 3 , 3 , 1 , 3 , 3 , 2 , 3 , 3 , 3 , &
3 , 2 , 3 , 3 , 3 , 3 , 1 , 3 , 3 , 3 , 3 , 2 , &
2 , 3 , 3 , 3 , 3 , 3 , 3 , 1 , 3 , 3 , 2 , 3 , &
3 , 3 , 2 , 3 , 3 , 2 , 3 , 3 , 1 , 3 , 3 , 3 , &
3 , 3 , 3 , 2 , 2 , 3 , 3 , 3 , 3 , 1 , 3 , 3 , &
2 , 3 , 3 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , 1 , 3 , &
3 , 2 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , 3 , 3 , 1 &
] , pInt ) , [ LATTICE_bcc_Ntwin , LATTICE_bcc_Ntwin ] , order = [ 2 , 1 ] ) !< Twin--twin interaction types for bcc
!< 1: self interaction
!< 2: collinear interaction
!< 3: other interaction
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real ( pReal ) , dimension ( 3 + 3 , LATTICE_bcc_Ncleavage ) , parameter , private :: &
LATTICE_bcc_systemCleavage = reshape ( real ( [ &
! Cleavage direction Plane normal
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0 , 1 , 0 , 1 , 0 , 0 , &
0 , 0 , 1 , 0 , 1 , 0 , &
1 , 0 , 0 , 0 , 0 , 1 , &
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1 , - 1 , 1 , 0 , 1 , 1 , &
1 , 1 , 1 , 0 , - 1 , 1 , &
- 1 , 1 , 1 , 1 , 0 , 1 , &
1 , 1 , 1 , - 1 , 0 , 1 , &
- 1 , 1 , 1 , 1 , 1 , 0 , &
1 , 1 , 1 , - 1 , 1 , 0 &
] , pReal ) , [ 3_pInt + 3_pInt , LATTICE_bcc_Ncleavage ] )
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!--------------------------------------------------------------------------------------------------
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! hexagonal
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integer ( pInt ) , dimension ( LATTICE_maxNslipFamily ) , parameter , public :: &
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lattice_hex_NslipSystem = int ( [ 3 , 3 , 3 , 6 , 12 , 6 , 0 , 0 , 0 , 0 , 0 , 0 , 0 ] , pInt ) !< # of slip systems per family for hex
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integer ( pInt ) , dimension ( LATTICE_maxNtwinFamily ) , parameter , public :: &
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lattice_hex_NtwinSystem = int ( [ 6 , 6 , 6 , 6 ] , pInt ) !< # of slip systems per family for hex
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integer ( pInt ) , dimension ( LATTICE_maxNtransFamily ) , parameter , public :: &
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LATTICE_hex_NtransSystem = int ( [ 0 ] , pInt ) !< # of transformation systems per family for hex
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integer ( pInt ) , dimension ( LATTICE_maxNcleavageFamily ) , parameter , public :: &
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LATTICE_hex_NcleavageSystem = int ( [ 3 , 0 , 0 ] , pInt ) !< # of cleavage systems per family for hex
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integer ( pInt ) , parameter , private :: &
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LATTICE_hex_Nslip = sum ( lattice_hex_NslipSystem ) , & !< total # of slip systems for hex
LATTICE_hex_Ntwin = sum ( lattice_hex_NtwinSystem ) , & !< total # of twin systems for hex
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LATTICE_hex_NnonSchmid = 0_pInt , & !< total # of non-Schmid contributions for hex
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LATTICE_hex_Ntrans = sum ( lattice_hex_NtransSystem ) , & !< total # of transformation systems for hex
LATTICE_hex_Ncleavage = sum ( lattice_hex_NcleavageSystem ) !< total # of cleavage systems for hex
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real ( pReal ) , dimension ( 4 + 4 , LATTICE_hex_Nslip ) , parameter , private :: &
LATTICE_hex_systemSlip = reshape ( real ( [ &
! Slip direction Plane normal
! Basal systems <11.0>{00.1} (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 , &
- 1 , - 1 , 2 , 0 , 0 , 0 , 0 , 1 , &
! 1st type prismatic systems <11.0>{10.0} (independent of c/a-ratio)
2 , - 1 , - 1 , 0 , 0 , 1 , - 1 , 0 , &
- 1 , 2 , - 1 , 0 , - 1 , 0 , 1 , 0 , &
- 1 , - 1 , 2 , 0 , 1 , - 1 , 0 , 0 , &
! 2nd type prismatic systems <10.0>{11.0} -- a slip; plane normals independent of c/a-ratio
0 , 1 , - 1 , 0 , 2 , - 1 , - 1 , 0 , &
- 1 , 0 , 1 , 0 , - 1 , 2 , - 1 , 0 , &
1 , - 1 , 0 , 0 , - 1 , - 1 , 2 , 0 , &
! 1st type 1st order pyramidal systems <11.0>{-11.1} -- plane normals depend on the c/a-ratio
2 , - 1 , - 1 , 0 , 0 , 1 , - 1 , 1 , &
- 1 , 2 , - 1 , 0 , - 1 , 0 , 1 , 1 , &
- 1 , - 1 , 2 , 0 , 1 , - 1 , 0 , 1 , &
1 , 1 , - 2 , 0 , - 1 , 1 , 0 , 1 , &
- 2 , 1 , 1 , 0 , 0 , - 1 , 1 , 1 , &
1 , - 2 , 1 , 0 , 1 , 0 , - 1 , 1 , &
! pyramidal system: c+a slip <11.3>{-10.1} -- plane normals depend on the c/a-ratio
2 , - 1 , - 1 , 3 , - 1 , 1 , 0 , 1 , &
1 , - 2 , 1 , 3 , - 1 , 1 , 0 , 1 , &
- 1 , - 1 , 2 , 3 , 1 , 0 , - 1 , 1 , &
- 2 , 1 , 1 , 3 , 1 , 0 , - 1 , 1 , &
- 1 , 2 , - 1 , 3 , 0 , - 1 , 1 , 1 , &
1 , 1 , - 2 , 3 , 0 , - 1 , 1 , 1 , &
- 2 , 1 , 1 , 3 , 1 , - 1 , 0 , 1 , &
- 1 , 2 , - 1 , 3 , 1 , - 1 , 0 , 1 , &
1 , 1 , - 2 , 3 , - 1 , 0 , 1 , 1 , &
2 , - 1 , - 1 , 3 , - 1 , 0 , 1 , 1 , &
1 , - 2 , 1 , 3 , 0 , 1 , - 1 , 1 , &
- 1 , - 1 , 2 , 3 , 0 , 1 , - 1 , 1 , &
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! pyramidal system: c+a slip <11.3>{-1-1.2} -- as for hexagonal ice (Castelnau et al. 1996, similar to twin system found below)
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2 , - 1 , - 1 , 3 , - 2 , 1 , 1 , 2 , & ! sorted according to similar twin system
- 1 , 2 , - 1 , 3 , 1 , - 2 , 1 , 2 , & ! <11.3>{-1-1.2} shear = 2((c/a)^2-2)/(3 c/a)
- 1 , - 1 , 2 , 3 , 1 , 1 , - 2 , 2 , &
- 2 , 1 , 1 , 3 , 2 , - 1 , - 1 , 2 , &
1 , - 2 , 1 , 3 , - 1 , 2 , - 1 , 2 , &
1 , 1 , - 2 , 3 , - 1 , - 1 , 2 , 2 &
] , pReal ) , [ 4_pInt + 4_pInt , LATTICE_hex_Nslip ] ) !< slip systems for hex sorted by A. Alankar & P. Eisenlohr
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character ( len = * ) , dimension ( 6 ) , parameter , public :: LATTICE_HEX_SLIPFAMILY_NAME = &
[ '<1 1 . 1>{0 0 . 1} ' , &
'<1 1 . 1>{1 0 . 0} ' , &
'<1 0 . 0>{1 1 . 0} ' , &
'<1 1 . 0>{-1 1 . 1} ' , &
'<1 1 . 3>{-1 0 . 1} ' , &
'<1 1 . 3>{-1 -1 . 2}' ]
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real ( pReal ) , dimension ( 4 + 4 , LATTICE_hex_Ntwin ) , parameter , private :: &
LATTICE_hex_systemTwin = reshape ( real ( [ &
! Compression or Tension =f(twinning shear=f(c/a)) for each metal ! (according to Yoo 1981)
1 , - 1 , 0 , 1 , - 1 , 1 , 0 , 2 , & ! <-10.1>{10.2} shear = (3-(c/a)^2)/(sqrt(3) c/a)
- 1 , 0 , 1 , 1 , 1 , 0 , - 1 , 2 , &
0 , 1 , - 1 , 1 , 0 , - 1 , 1 , 2 , &
- 1 , 1 , 0 , 1 , 1 , - 1 , 0 , 2 , &
1 , 0 , - 1 , 1 , - 1 , 0 , 1 , 2 , &
0 , - 1 , 1 , 1 , 0 , 1 , - 1 , 2 , &
!
2 , - 1 , - 1 , 6 , - 2 , 1 , 1 , 1 , & ! <11.6>{-1-1.1} shear = 1/(c/a)
- 1 , 2 , - 1 , 6 , 1 , - 2 , 1 , 1 , &
- 1 , - 1 , 2 , 6 , 1 , 1 , - 2 , 1 , &
- 2 , 1 , 1 , 6 , 2 , - 1 , - 1 , 1 , &
1 , - 2 , 1 , 6 , - 1 , 2 , - 1 , 1 , &
1 , 1 , - 2 , 6 , - 1 , - 1 , 2 , 1 , &
!
- 1 , 1 , 0 , - 2 , - 1 , 1 , 0 , 1 , & !! <10.-2>{10.1} shear = (4(c/a)^2-9)/(4 sqrt(3) c/a)
1 , 0 , - 1 , - 2 , 1 , 0 , - 1 , 1 , &
0 , - 1 , 1 , - 2 , 0 , - 1 , 1 , 1 , &
1 , - 1 , 0 , - 2 , 1 , - 1 , 0 , 1 , &
- 1 , 0 , 1 , - 2 , - 1 , 0 , 1 , 1 , &
0 , 1 , - 1 , - 2 , 0 , 1 , - 1 , 1 , &
!
2 , - 1 , - 1 , - 3 , 2 , - 1 , - 1 , 2 , & ! <11.-3>{11.2} shear = 2((c/a)^2-2)/(3 c/a)
- 1 , 2 , - 1 , - 3 , - 1 , 2 , - 1 , 2 , &
- 1 , - 1 , 2 , - 3 , - 1 , - 1 , 2 , 2 , &
- 2 , 1 , 1 , - 3 , - 2 , 1 , 1 , 2 , &
1 , - 2 , 1 , - 3 , 1 , - 2 , 1 , 2 , &
1 , 1 , - 2 , - 3 , 1 , 1 , - 2 , 2 &
2016-04-26 23:53:05 +05:30
] , pReal ) , [ 4_pInt + 4_pInt , LATTICE_hex_Ntwin ] ) !< twin systems for hex, order follows Prof. Tom Bieler's scheme; but numbering in data was restarted from 1
2014-08-14 17:51:51 +05:30
2018-08-24 16:12:30 +05:30
character ( len = * ) , dimension ( 4 ) , parameter , public :: LATTICE_HEX_TWINFAMILY_NAME = &
[ '<-1 0 . 1>{1 0 . 2} ' , &
'<1 1 . 6>{-1 -1 . 1}' , &
'<1 0 . -2>{1 0 . 1} ' , &
'<1 1 . -3>{1 1 . 2} ' ]
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integer ( pInt ) , dimension ( LATTICE_hex_Ntwin ) , parameter , private :: &
LATTICE_hex_shearTwin = reshape ( int ( [ & ! indicator to formula further below
1 , & ! <-10.1>{10.2}
1 , &
1 , &
1 , &
1 , &
1 , &
2 , & ! <11.6>{-1-1.1}
2 , &
2 , &
2 , &
2 , &
2 , &
3 , & ! <10.-2>{10.1}
3 , &
3 , &
3 , &
3 , &
3 , &
4 , & ! <11.-3>{11.2}
4 , &
4 , &
4 , &
4 , &
4 &
] , pInt ) , [ LATTICE_hex_Ntwin ] )
2016-04-26 23:53:05 +05:30
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integer ( pInt ) , dimension ( LATTICE_hex_Nslip , LATTICE_hex_Nslip ) , parameter , public :: &
LATTICE_hex_interactionSlipSlip = reshape ( int ( [ &
1 , 2 , 2 , 3 , 3 , 3 , 7 , 7 , 7 , 13 , 13 , 13 , 13 , 13 , 13 , 21 , 21 , 21 , 21 , 21 , 21 , 21 , 21 , 21 , 21 , 21 , 21 , 31 , 31 , 31 , 31 , 31 , 31 , & ! ---> slip
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 , & ! |
! v slip
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 , 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 , &
!
12 , 12 , 12 , 11 , 11 , 11 , 9 , 10 , 10 , 15 , 15 , 15 , 15 , 15 , 15 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 33 , 33 , 33 , 33 , 33 , 33 , &
12 , 12 , 12 , 11 , 11 , 11 , 10 , 9 , 10 , 15 , 15 , 15 , 15 , 15 , 15 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 33 , 33 , 33 , 33 , 33 , 33 , &
12 , 12 , 12 , 11 , 11 , 11 , 10 , 10 , 9 , 15 , 15 , 15 , 15 , 15 , 15 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 23 , 33 , 33 , 33 , 33 , 33 , 33 , &
!
20 , 20 , 20 , 19 , 19 , 19 , 18 , 18 , 18 , 16 , 17 , 17 , 17 , 17 , 17 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 34 , 34 , 34 , 34 , 34 , 34 , &
20 , 20 , 20 , 19 , 19 , 19 , 18 , 18 , 18 , 17 , 16 , 17 , 17 , 17 , 17 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 34 , 34 , 34 , 34 , 34 , 34 , &
20 , 20 , 20 , 19 , 19 , 19 , 18 , 18 , 18 , 17 , 17 , 16 , 17 , 17 , 17 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 34 , 34 , 34 , 34 , 34 , 34 , &
20 , 20 , 20 , 19 , 19 , 19 , 18 , 18 , 18 , 17 , 17 , 17 , 16 , 17 , 17 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 34 , 34 , 34 , 34 , 34 , 34 , &
20 , 20 , 20 , 19 , 19 , 19 , 18 , 18 , 18 , 17 , 17 , 17 , 17 , 16 , 17 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 34 , 34 , 34 , 34 , 34 , 34 , &
20 , 20 , 20 , 19 , 19 , 19 , 18 , 18 , 18 , 17 , 17 , 17 , 17 , 17 , 16 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 34 , 34 , 34 , 34 , 34 , 34 , &
!
30 , 30 , 30 , 29 , 29 , 29 , 28 , 28 , 28 , 27 , 27 , 27 , 27 , 27 , 27 , 25 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 35 , 35 , 35 , 35 , 35 , 35 , &
30 , 30 , 30 , 29 , 29 , 29 , 28 , 28 , 28 , 27 , 27 , 27 , 27 , 27 , 27 , 26 , 25 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 35 , 35 , 35 , 35 , 35 , 35 , &
30 , 30 , 30 , 29 , 29 , 29 , 28 , 28 , 28 , 27 , 27 , 27 , 27 , 27 , 27 , 26 , 26 , 25 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 35 , 35 , 35 , 35 , 35 , 35 , &
30 , 30 , 30 , 29 , 29 , 29 , 28 , 28 , 28 , 27 , 27 , 27 , 27 , 27 , 27 , 26 , 26 , 26 , 25 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 35 , 35 , 35 , 35 , 35 , 35 , &
30 , 30 , 30 , 29 , 29 , 29 , 28 , 28 , 28 , 27 , 27 , 27 , 27 , 27 , 27 , 26 , 26 , 26 , 26 , 25 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 35 , 35 , 35 , 35 , 35 , 35 , &
30 , 30 , 30 , 29 , 29 , 29 , 28 , 28 , 28 , 27 , 27 , 27 , 27 , 27 , 27 , 26 , 26 , 26 , 26 , 26 , 25 , 26 , 26 , 26 , 26 , 26 , 26 , 35 , 35 , 35 , 35 , 35 , 35 , &
30 , 30 , 30 , 29 , 29 , 29 , 28 , 28 , 28 , 27 , 27 , 27 , 27 , 27 , 27 , 26 , 26 , 26 , 26 , 26 , 26 , 25 , 26 , 26 , 26 , 26 , 26 , 35 , 35 , 35 , 35 , 35 , 35 , &
30 , 30 , 30 , 29 , 29 , 29 , 28 , 28 , 28 , 27 , 27 , 27 , 27 , 27 , 27 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 25 , 26 , 26 , 26 , 26 , 35 , 35 , 35 , 35 , 35 , 35 , &
30 , 30 , 30 , 29 , 29 , 29 , 28 , 28 , 28 , 27 , 27 , 27 , 27 , 27 , 27 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 25 , 26 , 26 , 26 , 35 , 35 , 35 , 35 , 35 , 35 , &
30 , 30 , 30 , 29 , 29 , 29 , 28 , 28 , 28 , 27 , 27 , 27 , 27 , 27 , 27 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 25 , 26 , 26 , 35 , 35 , 35 , 35 , 35 , 35 , &
30 , 30 , 30 , 29 , 29 , 29 , 28 , 28 , 28 , 27 , 27 , 27 , 27 , 27 , 27 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 25 , 26 , 35 , 35 , 35 , 35 , 35 , 35 , &
30 , 30 , 30 , 29 , 29 , 29 , 28 , 28 , 28 , 27 , 27 , 27 , 27 , 27 , 27 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 26 , 25 , 35 , 35 , 35 , 35 , 35 , 35 , &
!
42 , 42 , 42 , 41 , 41 , 41 , 40 , 40 , 40 , 39 , 39 , 39 , 39 , 39 , 39 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 36 , 37 , 37 , 37 , 37 , 37 , &
42 , 42 , 42 , 41 , 41 , 41 , 40 , 40 , 40 , 39 , 39 , 39 , 39 , 39 , 39 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 37 , 36 , 37 , 37 , 37 , 37 , &
42 , 42 , 42 , 41 , 41 , 41 , 40 , 40 , 40 , 39 , 39 , 39 , 39 , 39 , 39 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 37 , 37 , 36 , 37 , 37 , 37 , &
42 , 42 , 42 , 41 , 41 , 41 , 40 , 40 , 40 , 39 , 39 , 39 , 39 , 39 , 39 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 37 , 37 , 37 , 36 , 37 , 37 , &
42 , 42 , 42 , 41 , 41 , 41 , 40 , 40 , 40 , 39 , 39 , 39 , 39 , 39 , 39 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 37 , 37 , 37 , 37 , 36 , 37 , &
2016-04-26 23:53:05 +05:30
42 , 42 , 42 , 41 , 41 , 41 , 40 , 40 , 40 , 39 , 39 , 39 , 39 , 39 , 39 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 38 , 37 , 37 , 37 , 37 , 37 , 36 &
2014-08-14 17:51:51 +05:30
!
2015-06-27 20:25:30 +05:30
] , pInt ) , [ LATTICE_hex_Nslip , LATTICE_hex_Nslip ] , order = [ 2 , 1 ] ) !< Slip--slip interaction types for hex (onion peel naming scheme)
2016-04-26 23:53:05 +05:30
2014-08-14 17:51:51 +05:30
integer ( pInt ) , dimension ( LATTICE_hex_Nslip , LATTICE_hex_Ntwin ) , parameter , public :: &
LATTICE_hex_interactionSlipTwin = 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 , & ! |
! 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
2016-04-26 23:53:05 +05:30
5 , 5 , 5 , 5 , 5 , 5 , 6 , 6 , 6 , 6 , 6 , 6 , 7 , 7 , 7 , 7 , 7 , 7 , 8 , 8 , 8 , 8 , 8 , 8 , &
2014-08-14 17:51:51 +05:30
5 , 5 , 5 , 5 , 5 , 5 , 6 , 6 , 6 , 6 , 6 , 6 , 7 , 7 , 7 , 7 , 7 , 7 , 8 , 8 , 8 , 8 , 8 , 8 , &
!
9 , 9 , 9 , 9 , 9 , 9 , 10 , 10 , 10 , 10 , 10 , 10 , 11 , 11 , 11 , 11 , 11 , 11 , 12 , 12 , 12 , 12 , 12 , 12 , &
9 , 9 , 9 , 9 , 9 , 9 , 10 , 10 , 10 , 10 , 10 , 10 , 11 , 11 , 11 , 11 , 11 , 11 , 12 , 12 , 12 , 12 , 12 , 12 , &
9 , 9 , 9 , 9 , 9 , 9 , 10 , 10 , 10 , 10 , 10 , 10 , 11 , 11 , 11 , 11 , 11 , 11 , 12 , 12 , 12 , 12 , 12 , 12 , &
!
13 , 13 , 13 , 13 , 13 , 13 , 14 , 14 , 14 , 14 , 14 , 14 , 15 , 15 , 15 , 15 , 15 , 15 , 16 , 16 , 16 , 16 , 16 , 16 , &
13 , 13 , 13 , 13 , 13 , 13 , 14 , 14 , 14 , 14 , 14 , 14 , 15 , 15 , 15 , 15 , 15 , 15 , 16 , 16 , 16 , 16 , 16 , 16 , &
13 , 13 , 13 , 13 , 13 , 13 , 14 , 14 , 14 , 14 , 14 , 14 , 15 , 15 , 15 , 15 , 15 , 15 , 16 , 16 , 16 , 16 , 16 , 16 , &
13 , 13 , 13 , 13 , 13 , 13 , 14 , 14 , 14 , 14 , 14 , 14 , 15 , 15 , 15 , 15 , 15 , 15 , 16 , 16 , 16 , 16 , 16 , 16 , &
13 , 13 , 13 , 13 , 13 , 13 , 14 , 14 , 14 , 14 , 14 , 14 , 15 , 15 , 15 , 15 , 15 , 15 , 16 , 16 , 16 , 16 , 16 , 16 , &
13 , 13 , 13 , 13 , 13 , 13 , 14 , 14 , 14 , 14 , 14 , 14 , 15 , 15 , 15 , 15 , 15 , 15 , 16 , 16 , 16 , 16 , 16 , 16 , &
!
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 , &
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 , &
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 , &
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 , &
!
21 , 21 , 21 , 21 , 21 , 21 , 22 , 22 , 22 , 22 , 22 , 22 , 23 , 23 , 23 , 23 , 23 , 23 , 24 , 24 , 24 , 24 , 24 , 24 , &
21 , 21 , 21 , 21 , 21 , 21 , 22 , 22 , 22 , 22 , 22 , 22 , 23 , 23 , 23 , 23 , 23 , 23 , 24 , 24 , 24 , 24 , 24 , 24 , &
21 , 21 , 21 , 21 , 21 , 21 , 22 , 22 , 22 , 22 , 22 , 22 , 23 , 23 , 23 , 23 , 23 , 23 , 24 , 24 , 24 , 24 , 24 , 24 , &
21 , 21 , 21 , 21 , 21 , 21 , 22 , 22 , 22 , 22 , 22 , 22 , 23 , 23 , 23 , 23 , 23 , 23 , 24 , 24 , 24 , 24 , 24 , 24 , &
21 , 21 , 21 , 21 , 21 , 21 , 22 , 22 , 22 , 22 , 22 , 22 , 23 , 23 , 23 , 23 , 23 , 23 , 24 , 24 , 24 , 24 , 24 , 24 , &
21 , 21 , 21 , 21 , 21 , 21 , 22 , 22 , 22 , 22 , 22 , 22 , 23 , 23 , 23 , 23 , 23 , 23 , 24 , 24 , 24 , 24 , 24 , 24 &
!
2016-04-26 23:53:05 +05:30
] , pInt ) , [ LATTICE_hex_Nslip , LATTICE_hex_Ntwin ] , order = [ 2 , 1 ] ) !< Slip--twin interaction types for hex (isotropic, 24 in total)
2014-08-14 17:51:51 +05:30
integer ( pInt ) , dimension ( LATTICE_hex_Ntwin , LATTICE_hex_Nslip ) , parameter , public :: &
LATTICE_hex_interactionTwinSlip = reshape ( int ( [ &
1 , 1 , 1 , 5 , 5 , 5 , 9 , 9 , 9 , 13 , 13 , 13 , 13 , 13 , 13 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 21 , 21 , 21 , 21 , 21 , 21 , & ! --> slip
1 , 1 , 1 , 5 , 5 , 5 , 9 , 9 , 9 , 13 , 13 , 13 , 13 , 13 , 13 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 21 , 21 , 21 , 21 , 21 , 21 , & ! |
1 , 1 , 1 , 5 , 5 , 5 , 9 , 9 , 9 , 13 , 13 , 13 , 13 , 13 , 13 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 21 , 21 , 21 , 21 , 21 , 21 , & ! |
1 , 1 , 1 , 5 , 5 , 5 , 9 , 9 , 9 , 13 , 13 , 13 , 13 , 13 , 13 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 17 , 21 , 21 , 21 , 21 , 21 , 21 , & ! v
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 , &
!
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 , &
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 , &
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 , &
!
3 , 3 , 3 , 7 , 7 , 7 , 11 , 11 , 11 , 15 , 15 , 15 , 15 , 15 , 15 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 23 , 23 , 23 , 23 , 23 , 23 , &
3 , 3 , 3 , 7 , 7 , 7 , 11 , 11 , 11 , 15 , 15 , 15 , 15 , 15 , 15 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 23 , 23 , 23 , 23 , 23 , 23 , &
3 , 3 , 3 , 7 , 7 , 7 , 11 , 11 , 11 , 15 , 15 , 15 , 15 , 15 , 15 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 23 , 23 , 23 , 23 , 23 , 23 , &
3 , 3 , 3 , 7 , 7 , 7 , 11 , 11 , 11 , 15 , 15 , 15 , 15 , 15 , 15 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 23 , 23 , 23 , 23 , 23 , 23 , &
3 , 3 , 3 , 7 , 7 , 7 , 11 , 11 , 11 , 15 , 15 , 15 , 15 , 15 , 15 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 23 , 23 , 23 , 23 , 23 , 23 , &
3 , 3 , 3 , 7 , 7 , 7 , 11 , 11 , 11 , 15 , 15 , 15 , 15 , 15 , 15 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 19 , 23 , 23 , 23 , 23 , 23 , 23 , &
!
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 &
] , pInt ) , [ LATTICE_hex_Ntwin , LATTICE_hex_Nslip ] , order = [ 2 , 1 ] ) !< Twin--twin interaction types for hex (isotropic, 20 in total)
integer ( pInt ) , dimension ( LATTICE_hex_Ntwin , LATTICE_hex_Ntwin ) , parameter , public :: &
LATTICE_hex_interactionTwinTwin = reshape ( int ( [ &
1 , 2 , 2 , 2 , 2 , 2 , 3 , 3 , 3 , 3 , 3 , 3 , 7 , 7 , 7 , 7 , 7 , 7 , 13 , 13 , 13 , 13 , 13 , 13 , & ! ---> twin
2 , 1 , 2 , 2 , 2 , 2 , 3 , 3 , 3 , 3 , 3 , 3 , 7 , 7 , 7 , 7 , 7 , 7 , 13 , 13 , 13 , 13 , 13 , 13 , & ! |
2 , 2 , 1 , 2 , 2 , 2 , 3 , 3 , 3 , 3 , 3 , 3 , 7 , 7 , 7 , 7 , 7 , 7 , 13 , 13 , 13 , 13 , 13 , 13 , & ! |
2 , 2 , 2 , 1 , 2 , 2 , 3 , 3 , 3 , 3 , 3 , 3 , 7 , 7 , 7 , 7 , 7 , 7 , 13 , 13 , 13 , 13 , 13 , 13 , & ! v twin
2 , 2 , 2 , 2 , 1 , 2 , 3 , 3 , 3 , 3 , 3 , 3 , 7 , 7 , 7 , 7 , 7 , 7 , 13 , 13 , 13 , 13 , 13 , 13 , &
2 , 2 , 2 , 2 , 2 , 1 , 3 , 3 , 3 , 3 , 3 , 3 , 7 , 7 , 7 , 7 , 7 , 7 , 13 , 13 , 13 , 13 , 13 , 13 , &
!
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 , 5 , 4 , 5 , 5 , 5 , 5 , 8 , 8 , 8 , 8 , 8 , 8 , 14 , 14 , 14 , 14 , 14 , 14 , &
6 , 6 , 6 , 6 , 6 , 6 , 5 , 5 , 4 , 5 , 5 , 5 , 8 , 8 , 8 , 8 , 8 , 8 , 14 , 14 , 14 , 14 , 14 , 14 , &
6 , 6 , 6 , 6 , 6 , 6 , 5 , 5 , 5 , 4 , 5 , 5 , 8 , 8 , 8 , 8 , 8 , 8 , 14 , 14 , 14 , 14 , 14 , 14 , &
6 , 6 , 6 , 6 , 6 , 6 , 5 , 5 , 5 , 5 , 4 , 5 , 8 , 8 , 8 , 8 , 8 , 8 , 14 , 14 , 14 , 14 , 14 , 14 , &
6 , 6 , 6 , 6 , 6 , 6 , 5 , 5 , 5 , 5 , 5 , 4 , 8 , 8 , 8 , 8 , 8 , 8 , 14 , 14 , 14 , 14 , 14 , 14 , &
!
12 , 12 , 12 , 12 , 12 , 12 , 11 , 11 , 11 , 11 , 11 , 11 , 9 , 10 , 10 , 10 , 10 , 10 , 15 , 15 , 15 , 15 , 15 , 15 , &
12 , 12 , 12 , 12 , 12 , 12 , 11 , 11 , 11 , 11 , 11 , 11 , 10 , 9 , 10 , 10 , 10 , 10 , 15 , 15 , 15 , 15 , 15 , 15 , &
12 , 12 , 12 , 12 , 12 , 12 , 11 , 11 , 11 , 11 , 11 , 11 , 10 , 10 , 9 , 10 , 10 , 10 , 15 , 15 , 15 , 15 , 15 , 15 , &
12 , 12 , 12 , 12 , 12 , 12 , 11 , 11 , 11 , 11 , 11 , 11 , 10 , 10 , 10 , 9 , 10 , 10 , 15 , 15 , 15 , 15 , 15 , 15 , &
12 , 12 , 12 , 12 , 12 , 12 , 11 , 11 , 11 , 11 , 11 , 11 , 10 , 10 , 10 , 10 , 9 , 10 , 15 , 15 , 15 , 15 , 15 , 15 , &
12 , 12 , 12 , 12 , 12 , 12 , 11 , 11 , 11 , 11 , 11 , 11 , 10 , 10 , 10 , 10 , 10 , 9 , 15 , 15 , 15 , 15 , 15 , 15 , &
!
20 , 20 , 20 , 20 , 20 , 20 , 19 , 19 , 19 , 19 , 19 , 19 , 18 , 18 , 18 , 18 , 18 , 18 , 16 , 17 , 17 , 17 , 17 , 17 , &
20 , 20 , 20 , 20 , 20 , 20 , 19 , 19 , 19 , 19 , 19 , 19 , 18 , 18 , 18 , 18 , 18 , 18 , 17 , 16 , 17 , 17 , 17 , 17 , &
20 , 20 , 20 , 20 , 20 , 20 , 19 , 19 , 19 , 19 , 19 , 19 , 18 , 18 , 18 , 18 , 18 , 18 , 17 , 17 , 16 , 17 , 17 , 17 , &
20 , 20 , 20 , 20 , 20 , 20 , 19 , 19 , 19 , 19 , 19 , 19 , 18 , 18 , 18 , 18 , 18 , 18 , 17 , 17 , 17 , 16 , 17 , 17 , &
20 , 20 , 20 , 20 , 20 , 20 , 19 , 19 , 19 , 19 , 19 , 19 , 18 , 18 , 18 , 18 , 18 , 18 , 17 , 17 , 17 , 17 , 16 , 17 , &
20 , 20 , 20 , 20 , 20 , 20 , 19 , 19 , 19 , 19 , 19 , 19 , 18 , 18 , 18 , 18 , 18 , 18 , 17 , 17 , 17 , 17 , 17 , 16 &
] , pInt ) , [ lattice_hex_Ntwin , lattice_hex_Ntwin ] , order = [ 2 , 1 ] ) !< Twin--slip interaction types for hex (isotropic, 16 in total)
2014-10-28 23:35:51 +05:30
real ( pReal ) , dimension ( 4 + 4 , LATTICE_hex_Ncleavage ) , parameter , private :: &
LATTICE_hex_systemCleavage = reshape ( real ( [ &
! Cleavage direction Plane normal
2 , - 1 , - 1 , 0 , 0 , 0 , 0 , 1 , &
0 , 0 , 0 , 1 , 2 , - 1 , - 1 , 0 , &
0 , 0 , 0 , 1 , 0 , 1 , - 1 , 0 &
] , pReal ) , [ 4_pInt + 4_pInt , LATTICE_hex_Ncleavage ] )
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!--------------------------------------------------------------------------------------------------
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! body centered tetragonal
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integer ( pInt ) , dimension ( LATTICE_maxNslipFamily ) , parameter , public :: &
2015-12-08 23:40:06 +05:30
LATTICE_bct_NslipSystem = int ( [ 2 , 2 , 2 , 4 , 2 , 4 , 2 , 2 , 4 , 8 , 4 , 8 , 8 ] , pInt ) !< # of slip systems per family for bct (Sn) Bieler J. Electr Mater 2009
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integer ( pInt ) , dimension ( LATTICE_maxNtwinFamily ) , parameter , public :: &
2016-04-26 13:05:42 +05:30
LATTICE_bct_NtwinSystem = int ( [ 0 , 0 , 0 , 0 ] , pInt ) !< # of twin systems per family for bct
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integer ( pInt ) , dimension ( LATTICE_maxNtransFamily ) , parameter , public :: &
2018-07-30 00:33:14 +05:30
LATTICE_bct_NtransSystem = int ( [ 0 ] , pInt ) !< # of transformation systems per family for bct
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integer ( pInt ) , dimension ( LATTICE_maxNcleavageFamily ) , parameter , public :: &
2018-07-30 00:33:14 +05:30
LATTICE_bct_NcleavageSystem = int ( [ 0 , 0 , 0 ] , pInt ) !< # of cleavage systems per family for bct
2016-04-26 23:53:05 +05:30
2016-03-25 15:33:56 +05:30
integer ( pInt ) , parameter , private :: &
2018-07-20 17:43:13 +05:30
LATTICE_bct_Nslip = sum ( lattice_bct_NslipSystem ) , & !< total # of slip systems for bct
LATTICE_bct_Ntwin = sum ( lattice_bct_NtwinSystem ) , & !< total # of twin systems for bct
2016-04-11 23:25:55 +05:30
LATTICE_bct_NnonSchmid = 0_pInt , & !< total # of non-Schmid contributions for bct
2018-07-20 17:43:13 +05:30
LATTICE_bct_Ntrans = sum ( lattice_bct_NtransSystem ) , & !< total # of transformation systems for bct
LATTICE_bct_Ncleavage = sum ( lattice_bct_NcleavageSystem ) !< total # of cleavage systems for bct
2016-04-26 23:53:05 +05:30
2015-06-27 20:25:30 +05:30
real ( pReal ) , dimension ( 3 + 3 , LATTICE_bct_Nslip ) , parameter , private :: &
LATTICE_bct_systemSlip = reshape ( real ( [ &
! Slip direction Plane normal
! Slip family 1 {100)<001] (Bravais notation {hkl)<uvw] for bct c/a = 0.5456)
0 , 0 , 1 , 1 , 0 , 0 , &
0 , 0 , 1 , 0 , 1 , 0 , &
! Slip family 2 {110)<001]
0 , 0 , 1 , 1 , 1 , 0 , &
0 , 0 , 1 , - 1 , 1 , 0 , &
2016-04-26 23:53:05 +05:30
! slip family 3 {100)<010]
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0 , 1 , 0 , 1 , 0 , 0 , &
1 , 0 , 0 , 0 , 1 , 0 , &
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! Slip family 4 {110)<1-11]/2
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1 , - 1 , 1 , 1 , 1 , 0 , &
1 , - 1 , - 1 , 1 , 1 , 0 , &
- 1 , - 1 , - 1 , - 1 , 1 , 0 , &
- 1 , - 1 , 1 , - 1 , 1 , 0 , &
! Slip family 5 {110)<1-10]
1 , - 1 , 0 , 1 , 1 , 0 , &
1 , 1 , 0 , 1 , - 1 , 0 , &
2016-04-26 23:53:05 +05:30
! Slip family 6 {100)<011]
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0 , 1 , 1 , 1 , 0 , 0 , &
0 , - 1 , 1 , 1 , 0 , 0 , &
- 1 , 0 , 1 , 0 , 1 , 0 , &
2016-04-26 23:53:05 +05:30
1 , 0 , 1 , 0 , 1 , 0 , &
! Slip family 7 {001)<010]
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0 , 1 , 0 , 0 , 0 , 1 , &
1 , 0 , 0 , 0 , 0 , 1 , &
2016-04-26 23:53:05 +05:30
! Slip family 8 {001)<110]
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1 , 1 , 0 , 0 , 0 , 1 , &
2016-04-26 23:53:05 +05:30
- 1 , 1 , 0 , 0 , 0 , 1 , &
! Slip family 9 {011)<01-1]
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0 , 1 , - 1 , 0 , 1 , 1 , &
0 , - 1 , - 1 , 0 , - 1 , 1 , &
- 1 , 0 , - 1 , - 1 , 0 , 1 , &
2016-04-26 23:53:05 +05:30
1 , 0 , - 1 , 1 , 0 , 1 , &
! Slip family 10 {011)<1-11]/2
2015-09-23 00:12:23 +05:30
1 , - 1 , 1 , 0 , 1 , 1 , &
1 , 1 , - 1 , 0 , 1 , 1 , &
1 , 1 , 1 , 0 , 1 , - 1 , &
2016-04-26 23:53:05 +05:30
- 1 , 1 , 1 , 0 , 1 , - 1 , &
2015-09-23 00:12:23 +05:30
1 , - 1 , - 1 , 1 , 0 , 1 , &
- 1 , - 1 , 1 , 1 , 0 , 1 , &
1 , 1 , 1 , 1 , 0 , - 1 , &
2016-04-26 23:53:05 +05:30
1 , - 1 , 1 , 1 , 0 , - 1 , &
! Slip family 11 {011)<100]
2015-09-23 00:12:23 +05:30
1 , 0 , 0 , 0 , 1 , 1 , &
1 , 0 , 0 , 0 , 1 , - 1 , &
0 , 1 , 0 , 1 , 0 , 1 , &
2016-04-26 23:53:05 +05:30
0 , 1 , 0 , 1 , 0 , - 1 , &
! Slip family 12 {211)<01-1]
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0 , 1 , - 1 , 2 , 1 , 1 , &
0 , - 1 , - 1 , 2 , - 1 , 1 , &
1 , 0 , - 1 , 1 , 2 , 1 , &
2016-04-26 23:53:05 +05:30
- 1 , 0 , - 1 , - 1 , 2 , 1 , &
2015-06-27 20:25:30 +05:30
0 , 1 , - 1 , - 2 , 1 , 1 , &
0 , - 1 , - 1 , - 2 , - 1 , 1 , &
- 1 , 0 , - 1 , - 1 , - 2 , 1 , &
2016-04-26 23:53:05 +05:30
1 , 0 , - 1 , 1 , - 2 , 1 , &
! Slip family 13 {211)<-111]/2
2015-09-23 00:12:23 +05:30
- 1 , 1 , 1 , 2 , 1 , 1 , &
- 1 , - 1 , 1 , 2 , - 1 , 1 , &
1 , - 1 , 1 , 1 , 2 , 1 , &
2016-04-26 23:53:05 +05:30
- 1 , - 1 , 1 , - 1 , 2 , 1 , &
2015-09-23 00:12:23 +05:30
1 , 1 , 1 , - 2 , 1 , 1 , &
1 , - 1 , 1 , - 2 , - 1 , 1 , &
- 1 , 1 , 1 , - 1 , - 2 , 1 , &
2016-04-26 23:53:05 +05:30
1 , 1 , 1 , 1 , - 2 , 1 &
2015-06-27 20:25:30 +05:30
] , pReal ) , [ 3_pInt + 3_pInt , LATTICE_bct_Nslip ] ) !< slip systems for bct sorted by Bieler
2018-08-24 16:12:30 +05:30
character ( len = * ) , dimension ( 13 ) , parameter , public :: LATTICE_BCT_SLIPFAMILY_NAME = &
[ '{1 0 0)<0 0 1] ' , &
'{1 1 0)<0 0 1] ' , &
'{1 0 0)<0 1 0] ' , &
'{1 1 0)<1 -1 1]' , &
'{1 1 0)<1 -1 0]' , &
'{1 0 0)<0 1 1] ' , &
'{0 0 1)<0 1 0] ' , &
'{0 0 1)<1 1 0] ' , &
'{0 1 1)<0 1 -1]' , &
'{0 1 1)<1 -1 1]' , &
'{0 1 1)<1 0 0] ' , &
'{2 1 1)<0 1 -1]' , &
'{2 1 1)<-1 1 1]' ]
2015-06-27 20:25:30 +05:30
integer ( pInt ) , dimension ( LATTICE_bct_Nslip , LATTICE_bct_Nslip ) , parameter , public :: &
LATTICE_bct_interactionSlipSlip = reshape ( int ( [ &
2015-09-23 00:12:23 +05:30
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 , &
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 , &
2015-07-02 15:15:25 +05:30
!
2015-09-23 00:12:23 +05:30
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 , 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 , &
2016-04-26 23:53:05 +05:30
!
2015-09-23 00:12:23 +05:30
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 , &
2015-07-02 15:15:25 +05:30
!
2015-09-23 00:12:23 +05:30
20 , 20 , 19 , 19 , 18 , 18 , 16 , 17 , 17 , 17 , 24 , 24 , 34 , 34 , 34 , 34 , 46 , 46 , 60 , 60 , 76 , 76 , 76 , 76 , 94 , 94 , 94 , 94 , 94 , 94 , 94 , 94 , 114 , 114 , 114 , 114 , 136 , 136 , 136 , 136 , 136 , 136 , 136 , 136 , 160 , 160 , 160 , 160 , 160 , 160 , 160 , 160 , &
20 , 20 , 19 , 19 , 18 , 18 , 17 , 16 , 17 , 17 , 24 , 24 , 34 , 34 , 34 , 34 , 46 , 46 , 60 , 60 , 76 , 76 , 76 , 76 , 94 , 94 , 94 , 94 , 94 , 94 , 94 , 94 , 114 , 114 , 114 , 114 , 136 , 136 , 136 , 136 , 136 , 136 , 136 , 136 , 160 , 160 , 160 , 160 , 160 , 160 , 160 , 160 , &
20 , 20 , 19 , 19 , 18 , 18 , 17 , 17 , 16 , 17 , 24 , 24 , 34 , 34 , 34 , 34 , 46 , 46 , 60 , 60 , 76 , 76 , 76 , 76 , 94 , 94 , 94 , 94 , 94 , 94 , 94 , 94 , 114 , 114 , 114 , 114 , 136 , 136 , 136 , 136 , 136 , 136 , 136 , 136 , 160 , 160 , 160 , 160 , 160 , 160 , 160 , 160 , &
20 , 20 , 19 , 19 , 18 , 18 , 17 , 17 , 17 , 16 , 24 , 24 , 34 , 34 , 34 , 34 , 46 , 46 , 60 , 60 , 76 , 76 , 76 , 76 , 94 , 94 , 94 , 94 , 94 , 94 , 94 , 94 , 114 , 114 , 114 , 114 , 136 , 136 , 136 , 136 , 136 , 136 , 136 , 136 , 160 , 160 , 160 , 160 , 160 , 160 , 160 , 160 , &
2015-07-02 15:15:25 +05:30
!
2015-09-23 00:12:23 +05:30
30 , 30 , 29 , 29 , 28 , 28 , 27 , 27 , 27 , 27 , 25 , 26 , 35 , 35 , 35 , 35 , 47 , 47 , 61 , 61 , 77 , 77 , 77 , 77 , 95 , 95 , 95 , 95 , 95 , 95 , 95 , 95 , 115 , 115 , 115 , 115 , 137 , 137 , 137 , 137 , 137 , 137 , 137 , 137 , 161 , 161 , 161 , 161 , 161 , 161 , 161 , 161 , &
30 , 30 , 29 , 29 , 28 , 28 , 27 , 27 , 27 , 27 , 26 , 25 , 35 , 35 , 35 , 35 , 47 , 47 , 61 , 61 , 77 , 77 , 77 , 77 , 95 , 95 , 95 , 95 , 95 , 95 , 95 , 95 , 115 , 115 , 115 , 115 , 137 , 137 , 137 , 137 , 137 , 137 , 137 , 137 , 161 , 161 , 161 , 161 , 161 , 161 , 161 , 161 , &
2015-07-02 15:15:25 +05:30
!
2015-09-23 00:12:23 +05:30
42 , 42 , 41 , 41 , 40 , 40 , 39 , 39 , 39 , 39 , 38 , 38 , 36 , 37 , 37 , 37 , 48 , 48 , 62 , 62 , 78 , 78 , 78 , 78 , 96 , 96 , 96 , 96 , 96 , 96 , 96 , 96 , 116 , 116 , 116 , 116 , 138 , 138 , 138 , 138 , 138 , 138 , 138 , 138 , 162 , 162 , 162 , 162 , 162 , 162 , 162 , 162 , &
42 , 42 , 41 , 41 , 40 , 40 , 39 , 39 , 39 , 39 , 38 , 38 , 37 , 36 , 37 , 37 , 48 , 48 , 62 , 62 , 78 , 78 , 78 , 78 , 96 , 96 , 96 , 96 , 96 , 96 , 96 , 96 , 116 , 116 , 116 , 116 , 138 , 138 , 138 , 138 , 138 , 138 , 138 , 138 , 162 , 162 , 162 , 162 , 162 , 162 , 162 , 162 , &
42 , 42 , 41 , 41 , 40 , 40 , 39 , 39 , 39 , 39 , 38 , 38 , 37 , 37 , 36 , 37 , 48 , 48 , 62 , 62 , 78 , 78 , 78 , 78 , 96 , 96 , 96 , 96 , 96 , 96 , 96 , 96 , 116 , 116 , 116 , 116 , 138 , 138 , 138 , 138 , 138 , 138 , 138 , 138 , 162 , 162 , 162 , 162 , 162 , 162 , 162 , 162 , &
42 , 42 , 41 , 41 , 40 , 40 , 39 , 39 , 39 , 39 , 38 , 38 , 37 , 37 , 37 , 36 , 48 , 48 , 62 , 62 , 78 , 78 , 78 , 78 , 96 , 96 , 96 , 96 , 96 , 96 , 96 , 96 , 116 , 116 , 116 , 116 , 138 , 138 , 138 , 138 , 138 , 138 , 138 , 138 , 162 , 162 , 162 , 162 , 162 , 162 , 162 , 162 , &
2015-07-02 15:15:25 +05:30
!
2015-09-23 00:12:23 +05:30
56 , 56 , 55 , 55 , 54 , 54 , 53 , 53 , 53 , 53 , 52 , 52 , 51 , 51 , 51 , 51 , 49 , 50 , 63 , 63 , 79 , 79 , 79 , 79 , 97 , 97 , 97 , 97 , 97 , 97 , 97 , 97 , 117 , 117 , 117 , 117 , 139 , 139 , 139 , 139 , 139 , 139 , 139 , 139 , 163 , 163 , 163 , 163 , 163 , 163 , 163 , 163 , &
56 , 56 , 55 , 55 , 54 , 54 , 53 , 53 , 53 , 53 , 52 , 52 , 51 , 51 , 51 , 51 , 50 , 49 , 63 , 63 , 79 , 79 , 79 , 79 , 97 , 97 , 97 , 97 , 97 , 97 , 97 , 97 , 117 , 117 , 117 , 117 , 139 , 139 , 139 , 139 , 139 , 139 , 139 , 139 , 163 , 163 , 163 , 163 , 163 , 163 , 163 , 163 , &
2015-07-02 15:15:25 +05:30
!
2015-09-23 00:12:23 +05:30
72 , 72 , 71 , 71 , 70 , 70 , 69 , 69 , 69 , 69 , 68 , 68 , 67 , 67 , 67 , 67 , 66 , 66 , 64 , 65 , 80 , 80 , 80 , 80 , 98 , 98 , 98 , 98 , 98 , 98 , 98 , 98 , 118 , 118 , 118 , 118 , 140 , 140 , 140 , 140 , 140 , 140 , 140 , 140 , 164 , 164 , 164 , 164 , 164 , 164 , 164 , 164 , &
72 , 72 , 71 , 71 , 70 , 70 , 69 , 69 , 69 , 69 , 68 , 68 , 67 , 67 , 67 , 67 , 66 , 66 , 65 , 64 , 80 , 80 , 80 , 80 , 98 , 98 , 98 , 98 , 98 , 98 , 98 , 98 , 118 , 118 , 118 , 118 , 140 , 140 , 140 , 140 , 140 , 140 , 140 , 140 , 164 , 164 , 164 , 164 , 164 , 164 , 164 , 164 , &
2015-07-02 15:15:25 +05:30
!
2015-09-23 00:12:23 +05:30
90 , 90 , 89 , 89 , 88 , 88 , 87 , 87 , 87 , 87 , 86 , 86 , 85 , 85 , 85 , 85 , 84 , 84 , 83 , 83 , 81 , 82 , 82 , 82 , 99 , 99 , 99 , 99 , 99 , 99 , 99 , 99 , 119 , 119 , 119 , 119 , 141 , 141 , 141 , 141 , 141 , 141 , 141 , 141 , 165 , 165 , 165 , 165 , 165 , 165 , 165 , 165 , &
90 , 90 , 89 , 89 , 88 , 88 , 87 , 87 , 87 , 87 , 86 , 86 , 85 , 85 , 85 , 85 , 84 , 84 , 83 , 83 , 82 , 81 , 82 , 82 , 99 , 99 , 99 , 99 , 99 , 99 , 99 , 99 , 119 , 119 , 119 , 119 , 141 , 141 , 141 , 141 , 141 , 141 , 141 , 141 , 165 , 165 , 165 , 165 , 165 , 165 , 165 , 165 , &
90 , 90 , 89 , 89 , 88 , 88 , 87 , 87 , 87 , 87 , 86 , 86 , 85 , 85 , 85 , 85 , 84 , 84 , 83 , 83 , 82 , 82 , 81 , 82 , 99 , 99 , 99 , 99 , 99 , 99 , 99 , 99 , 119 , 119 , 119 , 119 , 141 , 141 , 141 , 141 , 141 , 141 , 141 , 141 , 165 , 165 , 165 , 165 , 165 , 165 , 165 , 165 , &
90 , 90 , 89 , 89 , 88 , 88 , 87 , 87 , 87 , 87 , 86 , 86 , 85 , 85 , 85 , 85 , 84 , 84 , 83 , 83 , 82 , 82 , 82 , 81 , 99 , 99 , 99 , 99 , 99 , 99 , 99 , 99 , 119 , 119 , 119 , 119 , 141 , 141 , 141 , 141 , 141 , 141 , 141 , 141 , 165 , 165 , 165 , 165 , 165 , 165 , 165 , 165 , &
2015-07-02 15:15:25 +05:30
!
2015-09-23 00:12:23 +05:30
110 , 110 , 109 , 109 , 108 , 108 , 107 , 107 , 107 , 107 , 106 , 106 , 105 , 105 , 105 , 105 , 104 , 104 , 103 , 103 , 102 , 102 , 102 , 102 , 100 , 101 , 101 , 101 , 101 , 101 , 101 , 101 , 120 , 120 , 120 , 120 , 142 , 142 , 142 , 142 , 142 , 142 , 142 , 142 , 166 , 166 , 166 , 166 , 166 , 166 , 166 , 166 , &
110 , 110 , 109 , 109 , 108 , 108 , 107 , 107 , 107 , 107 , 106 , 106 , 105 , 105 , 105 , 105 , 104 , 104 , 103 , 103 , 102 , 102 , 102 , 102 , 101 , 100 , 101 , 101 , 101 , 101 , 101 , 101 , 120 , 120 , 120 , 120 , 142 , 142 , 142 , 142 , 142 , 142 , 142 , 142 , 166 , 166 , 166 , 166 , 166 , 166 , 166 , 166 , &
110 , 110 , 109 , 109 , 108 , 108 , 107 , 107 , 107 , 107 , 106 , 106 , 105 , 105 , 105 , 105 , 104 , 104 , 103 , 103 , 102 , 102 , 102 , 102 , 101 , 101 , 100 , 101 , 101 , 101 , 101 , 101 , 120 , 120 , 120 , 120 , 142 , 142 , 142 , 142 , 142 , 142 , 142 , 142 , 166 , 166 , 166 , 166 , 166 , 166 , 166 , 166 , &
110 , 110 , 109 , 109 , 108 , 108 , 107 , 107 , 107 , 107 , 106 , 106 , 105 , 105 , 105 , 105 , 104 , 104 , 103 , 103 , 102 , 102 , 102 , 102 , 101 , 101 , 101 , 100 , 101 , 101 , 101 , 101 , 120 , 120 , 120 , 120 , 142 , 142 , 142 , 142 , 142 , 142 , 142 , 142 , 166 , 166 , 166 , 166 , 166 , 166 , 166 , 166 , &
110 , 110 , 109 , 109 , 108 , 108 , 107 , 107 , 107 , 107 , 106 , 106 , 105 , 105 , 105 , 105 , 104 , 104 , 103 , 103 , 102 , 102 , 102 , 102 , 101 , 101 , 101 , 101 , 100 , 101 , 101 , 101 , 120 , 120 , 120 , 120 , 142 , 142 , 142 , 142 , 142 , 142 , 142 , 142 , 166 , 166 , 166 , 166 , 166 , 166 , 166 , 166 , &
110 , 110 , 109 , 109 , 108 , 108 , 107 , 107 , 107 , 107 , 106 , 106 , 105 , 105 , 105 , 105 , 104 , 104 , 103 , 103 , 102 , 102 , 102 , 102 , 101 , 101 , 101 , 101 , 101 , 100 , 101 , 101 , 120 , 120 , 120 , 120 , 142 , 142 , 142 , 142 , 142 , 142 , 142 , 142 , 166 , 166 , 166 , 166 , 166 , 166 , 166 , 166 , &
110 , 110 , 109 , 109 , 108 , 108 , 107 , 107 , 107 , 107 , 106 , 106 , 105 , 105 , 105 , 105 , 104 , 104 , 103 , 103 , 102 , 102 , 102 , 102 , 101 , 101 , 101 , 101 , 101 , 101 , 100 , 101 , 120 , 120 , 120 , 120 , 142 , 142 , 142 , 142 , 142 , 142 , 142 , 142 , 166 , 166 , 166 , 166 , 166 , 166 , 166 , 166 , &
110 , 110 , 109 , 109 , 108 , 108 , 107 , 107 , 107 , 107 , 106 , 106 , 105 , 105 , 105 , 105 , 104 , 104 , 103 , 103 , 102 , 102 , 102 , 102 , 101 , 101 , 101 , 101 , 101 , 101 , 101 , 100 , 120 , 120 , 120 , 120 , 142 , 142 , 142 , 142 , 142 , 142 , 142 , 142 , 166 , 166 , 166 , 166 , 166 , 166 , 166 , 166 , &
!
132 , 132 , 131 , 131 , 130 , 130 , 129 , 129 , 129 , 129 , 128 , 128 , 127 , 127 , 127 , 127 , 126 , 126 , 125 , 125 , 124 , 124 , 124 , 124 , 123 , 123 , 123 , 123 , 123 , 123 , 123 , 123 , 121 , 122 , 122 , 122 , 143 , 143 , 143 , 143 , 143 , 143 , 143 , 143 , 167 , 167 , 167 , 167 , 167 , 167 , 167 , 167 , &
132 , 132 , 131 , 131 , 130 , 130 , 129 , 129 , 129 , 129 , 128 , 128 , 127 , 127 , 127 , 127 , 126 , 126 , 125 , 125 , 124 , 124 , 124 , 124 , 123 , 123 , 123 , 123 , 123 , 123 , 123 , 123 , 121 , 121 , 122 , 122 , 143 , 143 , 143 , 143 , 143 , 143 , 143 , 143 , 167 , 167 , 167 , 167 , 167 , 167 , 167 , 167 , &
132 , 132 , 131 , 131 , 130 , 130 , 129 , 129 , 129 , 129 , 128 , 128 , 127 , 127 , 127 , 127 , 126 , 126 , 125 , 125 , 124 , 124 , 124 , 124 , 123 , 123 , 123 , 123 , 123 , 123 , 123 , 123 , 121 , 122 , 121 , 122 , 143 , 143 , 143 , 143 , 143 , 143 , 143 , 143 , 167 , 167 , 167 , 167 , 167 , 167 , 167 , 167 , &
132 , 132 , 131 , 131 , 130 , 130 , 129 , 129 , 129 , 129 , 128 , 128 , 127 , 127 , 127 , 127 , 126 , 126 , 125 , 125 , 124 , 124 , 124 , 124 , 123 , 123 , 123 , 123 , 123 , 123 , 123 , 123 , 121 , 122 , 122 , 121 , 143 , 143 , 143 , 143 , 143 , 143 , 143 , 143 , 167 , 167 , 167 , 167 , 167 , 167 , 167 , 167 , &
!
156 , 156 , 155 , 155 , 154 , 154 , 153 , 153 , 153 , 153 , 152 , 152 , 151 , 151 , 151 , 151 , 150 , 150 , 149 , 149 , 148 , 148 , 148 , 148 , 147 , 147 , 147 , 147 , 147 , 147 , 147 , 147 , 146 , 146 , 146 , 146 , 144 , 145 , 145 , 145 , 145 , 145 , 145 , 145 , 168 , 168 , 168 , 168 , 168 , 168 , 168 , 168 , &
156 , 156 , 155 , 155 , 154 , 154 , 153 , 153 , 153 , 153 , 152 , 152 , 151 , 151 , 151 , 151 , 150 , 150 , 149 , 149 , 148 , 148 , 148 , 148 , 147 , 147 , 147 , 147 , 147 , 147 , 147 , 147 , 146 , 146 , 146 , 146 , 145 , 144 , 145 , 145 , 145 , 145 , 145 , 145 , 168 , 168 , 168 , 168 , 168 , 168 , 168 , 168 , &
156 , 156 , 155 , 155 , 154 , 154 , 153 , 153 , 153 , 153 , 152 , 152 , 151 , 151 , 151 , 151 , 150 , 150 , 149 , 149 , 148 , 148 , 148 , 148 , 147 , 147 , 147 , 147 , 147 , 147 , 147 , 147 , 146 , 146 , 146 , 146 , 145 , 145 , 144 , 145 , 145 , 145 , 145 , 145 , 168 , 168 , 168 , 168 , 168 , 168 , 168 , 168 , &
156 , 156 , 155 , 155 , 154 , 154 , 153 , 153 , 153 , 153 , 152 , 152 , 151 , 151 , 151 , 151 , 150 , 150 , 149 , 149 , 148 , 148 , 148 , 148 , 147 , 147 , 147 , 147 , 147 , 147 , 147 , 147 , 146 , 146 , 146 , 146 , 145 , 145 , 145 , 144 , 145 , 145 , 145 , 145 , 168 , 168 , 168 , 168 , 168 , 168 , 168 , 168 , &
156 , 156 , 155 , 155 , 154 , 154 , 153 , 153 , 153 , 153 , 152 , 152 , 151 , 151 , 151 , 151 , 150 , 150 , 149 , 149 , 148 , 148 , 148 , 148 , 147 , 147 , 147 , 147 , 147 , 147 , 147 , 147 , 146 , 146 , 146 , 146 , 145 , 145 , 145 , 145 , 144 , 145 , 145 , 145 , 168 , 168 , 168 , 168 , 168 , 168 , 168 , 168 , &
156 , 156 , 155 , 155 , 154 , 154 , 153 , 153 , 153 , 153 , 152 , 152 , 151 , 151 , 151 , 151 , 150 , 150 , 149 , 149 , 148 , 148 , 148 , 148 , 147 , 147 , 147 , 147 , 147 , 147 , 147 , 147 , 146 , 146 , 146 , 146 , 145 , 145 , 145 , 145 , 145 , 144 , 145 , 145 , 168 , 168 , 168 , 168 , 168 , 168 , 168 , 168 , &
156 , 156 , 155 , 155 , 154 , 154 , 153 , 153 , 153 , 153 , 152 , 152 , 151 , 151 , 151 , 151 , 150 , 150 , 149 , 149 , 148 , 148 , 148 , 148 , 147 , 147 , 147 , 147 , 147 , 147 , 147 , 147 , 146 , 146 , 146 , 146 , 145 , 145 , 145 , 145 , 145 , 145 , 144 , 145 , 168 , 168 , 168 , 168 , 168 , 168 , 168 , 168 , &
156 , 156 , 155 , 155 , 154 , 154 , 153 , 153 , 153 , 153 , 152 , 152 , 151 , 151 , 151 , 151 , 150 , 150 , 149 , 149 , 148 , 148 , 148 , 148 , 147 , 147 , 147 , 147 , 147 , 147 , 147 , 147 , 146 , 146 , 146 , 146 , 145 , 145 , 145 , 145 , 145 , 145 , 145 , 144 , 168 , 168 , 168 , 168 , 168 , 168 , 168 , 168 , &
!
182 , 182 , 181 , 181 , 180 , 180 , 179 , 179 , 179 , 179 , 178 , 178 , 177 , 177 , 177 , 177 , 176 , 176 , 175 , 175 , 174 , 174 , 174 , 174 , 173 , 173 , 173 , 173 , 173 , 173 , 173 , 173 , 172 , 172 , 172 , 172 , 171 , 171 , 171 , 171 , 171 , 171 , 171 , 171 , 169 , 170 , 170 , 170 , 170 , 170 , 170 , 170 , &
182 , 182 , 181 , 181 , 180 , 180 , 179 , 179 , 179 , 179 , 178 , 178 , 177 , 177 , 177 , 177 , 176 , 176 , 175 , 175 , 174 , 174 , 174 , 174 , 173 , 173 , 173 , 173 , 173 , 173 , 173 , 173 , 172 , 172 , 172 , 172 , 171 , 171 , 171 , 171 , 171 , 171 , 171 , 171 , 170 , 169 , 170 , 170 , 170 , 170 , 170 , 170 , &
182 , 182 , 181 , 181 , 180 , 180 , 179 , 179 , 179 , 179 , 178 , 178 , 177 , 177 , 177 , 177 , 176 , 176 , 175 , 175 , 174 , 174 , 174 , 174 , 173 , 173 , 173 , 173 , 173 , 173 , 173 , 173 , 172 , 172 , 172 , 172 , 171 , 171 , 171 , 171 , 171 , 171 , 171 , 171 , 170 , 170 , 169 , 170 , 170 , 170 , 170 , 170 , &
182 , 182 , 181 , 181 , 180 , 180 , 179 , 179 , 179 , 179 , 178 , 178 , 177 , 177 , 177 , 177 , 176 , 176 , 175 , 175 , 174 , 174 , 174 , 174 , 173 , 173 , 173 , 173 , 173 , 173 , 173 , 173 , 172 , 172 , 172 , 172 , 171 , 171 , 171 , 171 , 171 , 171 , 171 , 171 , 170 , 170 , 170 , 169 , 170 , 170 , 170 , 170 , &
182 , 182 , 181 , 181 , 180 , 180 , 179 , 179 , 179 , 179 , 178 , 178 , 177 , 177 , 177 , 177 , 176 , 176 , 175 , 175 , 174 , 174 , 174 , 174 , 173 , 173 , 173 , 173 , 173 , 173 , 173 , 173 , 172 , 172 , 172 , 172 , 171 , 171 , 171 , 171 , 171 , 171 , 171 , 171 , 170 , 170 , 170 , 170 , 169 , 170 , 170 , 170 , &
182 , 182 , 181 , 181 , 180 , 180 , 179 , 179 , 179 , 179 , 178 , 178 , 177 , 177 , 177 , 177 , 176 , 176 , 175 , 175 , 174 , 174 , 174 , 174 , 173 , 173 , 173 , 173 , 173 , 173 , 173 , 173 , 172 , 172 , 172 , 172 , 171 , 171 , 171 , 171 , 171 , 171 , 171 , 171 , 169 , 170 , 170 , 170 , 170 , 169 , 170 , 170 , &
182 , 182 , 181 , 181 , 180 , 180 , 179 , 179 , 179 , 179 , 178 , 178 , 177 , 177 , 177 , 177 , 176 , 176 , 175 , 175 , 174 , 174 , 174 , 174 , 173 , 173 , 173 , 173 , 173 , 173 , 173 , 173 , 172 , 172 , 172 , 172 , 171 , 171 , 171 , 171 , 171 , 171 , 171 , 171 , 169 , 170 , 170 , 170 , 170 , 170 , 169 , 170 , &
182 , 182 , 181 , 181 , 180 , 180 , 179 , 179 , 179 , 179 , 178 , 178 , 177 , 177 , 177 , 177 , 176 , 176 , 175 , 175 , 174 , 174 , 174 , 174 , 173 , 173 , 173 , 173 , 173 , 173 , 173 , 173 , 172 , 172 , 172 , 172 , 171 , 171 , 171 , 171 , 171 , 171 , 171 , 171 , 169 , 170 , 170 , 170 , 170 , 170 , 170 , 169 &
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] , pInt ) , [ lattice_bct_Nslip , lattice_bct_Nslip ] , order = [ 2 , 1 ] )
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!--------------------------------------------------------------------------------------------------
! isotropic
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integer ( pInt ) , dimension ( LATTICE_maxNslipFamily ) , parameter , public :: &
LATTICE_iso_NslipSystem = int ( [ 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 ] , pInt ) !< # of slip systems per family for iso
integer ( pInt ) , dimension ( LATTICE_maxNtwinFamily ) , parameter , public :: &
LATTICE_iso_NtwinSystem = int ( [ 0 , 0 , 0 , 0 ] , pInt ) !< # of twin systems per family for iso
integer ( pInt ) , dimension ( LATTICE_maxNtransFamily ) , parameter , public :: &
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LATTICE_iso_NtransSystem = int ( [ 0 ] , pInt ) !< # of transformation systems per family for iso
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integer ( pInt ) , dimension ( LATTICE_maxNcleavageFamily ) , parameter , public :: &
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LATTICE_iso_NcleavageSystem = int ( [ 3 , 0 , 0 ] , pInt ) !< # of cleavage systems per family for iso
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integer ( pInt ) , parameter , private :: &
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LATTICE_iso_Nslip = sum ( lattice_iso_NslipSystem ) , & !< total # of slip systems for iso
LATTICE_iso_Ntwin = sum ( lattice_iso_NtwinSystem ) , & !< total # of twin systems for iso
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LATTICE_iso_NnonSchmid = 0_pInt , & !< total # of non-Schmid contributions for iso
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LATTICE_iso_Ntrans = sum ( lattice_iso_NtransSystem ) , & !< total # of transformation systems for iso
LATTICE_iso_Ncleavage = sum ( lattice_iso_NcleavageSystem ) !< total # of cleavage systems for iso
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real ( pReal ) , dimension ( 3 + 3 , LATTICE_iso_Ncleavage ) , parameter , private :: &
LATTICE_iso_systemCleavage = reshape ( real ( [ &
! Cleavage direction Plane normal
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0 , 1 , 0 , 1 , 0 , 0 , &
0 , 0 , 1 , 0 , 1 , 0 , &
1 , 0 , 0 , 0 , 0 , 1 &
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] , pReal ) , [ 3_pInt + 3_pInt , LATTICE_iso_Ncleavage ] )
!--------------------------------------------------------------------------------------------------
! orthorhombic
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integer ( pInt ) , dimension ( LATTICE_maxNslipFamily ) , parameter , public :: &
LATTICE_ortho_NslipSystem = int ( [ 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 ] , pInt ) !< # of slip systems per family for ortho
integer ( pInt ) , dimension ( LATTICE_maxNtwinFamily ) , parameter , public :: &
LATTICE_ortho_NtwinSystem = int ( [ 0 , 0 , 0 , 0 ] , pInt ) !< # of twin systems per family for ortho
integer ( pInt ) , dimension ( LATTICE_maxNtransFamily ) , parameter , public :: &
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LATTICE_ortho_NtransSystem = int ( [ 0 ] , pInt ) !< # of transformation systems per family for ortho
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integer ( pInt ) , dimension ( LATTICE_maxNcleavageFamily ) , parameter , public :: &
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LATTICE_ortho_NcleavageSystem = int ( [ 1 , 1 , 1 ] , pInt ) !< # of cleavage systems per family for ortho
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integer ( pInt ) , parameter , private :: &
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LATTICE_ortho_Nslip = sum ( lattice_ortho_NslipSystem ) , & !< total # of slip systems for ortho
LATTICE_ortho_Ntwin = sum ( lattice_ortho_NtwinSystem ) , & !< total # of twin systems for ortho
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LATTICE_ortho_NnonSchmid = 0_pInt , & !< total # of non-Schmid contributions for ortho
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LATTICE_ortho_Ntrans = sum ( lattice_ortho_NtransSystem ) , & !< total # of transformation systems for ortho
LATTICE_ortho_Ncleavage = sum ( lattice_ortho_NcleavageSystem ) !< total # of cleavage systems for ortho
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real ( pReal ) , dimension ( 3 + 3 , LATTICE_ortho_Ncleavage ) , parameter , private :: &
LATTICE_ortho_systemCleavage = reshape ( real ( [ &
! Cleavage direction Plane normal
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0 , 1 , 0 , 1 , 0 , 0 , &
0 , 0 , 1 , 0 , 1 , 0 , &
1 , 0 , 0 , 0 , 0 , 1 &
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] , pReal ) , [ 3_pInt + 3_pInt , LATTICE_ortho_Ncleavage ] )
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integer ( pInt ) , parameter , public :: &
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LATTICE_maxNslip = max ( LATTICE_fcc_Nslip , LATTICE_bcc_Nslip , LATTICE_hex_Nslip , &
LATTICE_bct_Nslip , LATTICE_iso_Nslip , LATTICE_ortho_Nslip ) , & !< max # of slip systems over lattice structures
LATTICE_maxNtwin = max ( LATTICE_fcc_Ntwin , LATTICE_bcc_Ntwin , LATTICE_hex_Ntwin , &
LATTICE_bct_Ntwin , LATTICE_iso_Ntwin , LATTICE_ortho_Ntwin ) , & !< max # of twin systems over lattice structures
LATTICE_maxNnonSchmid = max ( LATTICE_fcc_NnonSchmid , LATTICE_bcc_NnonSchmid , &
LATTICE_hex_NnonSchmid , LATTICE_bct_NnonSchmid , &
LATTICE_iso_NnonSchmid , LATTICE_ortho_NnonSchmid ) , & !< max # of non-Schmid contributions over lattice structures
LATTICE_maxNtrans = max ( LATTICE_fcc_Ntrans , LATTICE_bcc_Ntrans , LATTICE_hex_Ntrans , &
LATTICE_bct_Ntrans , LATTICE_iso_Ntrans , LATTICE_ortho_Ntrans ) , & !< max # of transformation systems over lattice structures
LATTICE_maxNcleavage = max ( LATTICE_fcc_Ncleavage , LATTICE_bcc_Ncleavage , &
LATTICE_hex_Ncleavage , LATTICE_bct_Ncleavage , &
LATTICE_iso_Ncleavage , LATTICE_ortho_Ncleavage ) , & !< max # of cleavage systems over lattice structures
#if defined(__GFORTRAN__)
! only supported in gcc 8
LATTICE_maxNinteraction = 182_pInt
#else
LATTICE_maxNinteraction = max ( &
maxval ( lattice_fcc_interactionSlipSlip ) , &
maxval ( lattice_bcc_interactionSlipSlip ) , &
maxval ( lattice_hex_interactionSlipSlip ) , &
maxval ( lattice_bct_interactionSlipSlip ) , &
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!
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maxval ( lattice_fcc_interactionSlipTwin ) , &
maxval ( lattice_bcc_interactionSlipTwin ) , &
maxval ( lattice_hex_interactionSlipTwin ) , &
!maxval(lattice_bct_interactionSlipTwin), &
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!
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maxval ( lattice_fcc_interactionTwinSlip ) , &
maxval ( lattice_bcc_interactionTwinSlip ) , &
maxval ( lattice_hex_interactionTwinSlip ) , &
!maxval(lattice_bct_interactionTwinSlip), &
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!
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maxval ( lattice_fcc_interactionTwinTwin ) , &
maxval ( lattice_bcc_interactionTwinTwin ) , &
maxval ( lattice_hex_interactionTwinTwin ) &
!maxval(lattice_bct_interactionTwinTwin)))
) !< max # of interaction types (in hardening matrix part)
#endif
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real ( pReal ) , dimension ( : , : , : ) , allocatable , public , protected :: &
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lattice_C66 , lattice_trans_C66
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real ( pReal ) , dimension ( : , : , : , : , : ) , allocatable , public , protected :: &
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lattice_C3333 , lattice_trans_C3333
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real ( pReal ) , dimension ( : ) , allocatable , public , protected :: &
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lattice_mu , &
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lattice_nu , &
lattice_trans_mu , &
lattice_trans_nu
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real ( pReal ) , dimension ( : , : , : , : ) , allocatable , public , protected :: & ! with higher-order parameters (e.g. temperature-dependent)
lattice_thermalExpansion33
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real ( pReal ) , dimension ( : , : , : ) , allocatable , public , protected :: &
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lattice_thermalConductivity33 , &
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lattice_damageDiffusion33 , &
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lattice_vacancyfluxDiffusion33 , &
lattice_vacancyfluxMobility33 , &
lattice_porosityDiffusion33 , &
lattice_hydrogenfluxDiffusion33 , &
lattice_hydrogenfluxMobility33
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real ( pReal ) , dimension ( : ) , allocatable , public , protected :: &
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lattice_damageMobility , &
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lattice_porosityMobility , &
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lattice_massDensity , &
lattice_specificHeat , &
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lattice_vacancyFormationEnergy , &
lattice_vacancySurfaceEnergy , &
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lattice_vacancyVol , &
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lattice_hydrogenFormationEnergy , &
lattice_hydrogenSurfaceEnergy , &
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lattice_hydrogenVol , &
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lattice_referenceTemperature , &
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lattice_equilibriumVacancyConcentration , &
lattice_equilibriumHydrogenConcentration
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enum , bind ( c )
enumerator :: LATTICE_undefined_ID , &
LATTICE_iso_ID , &
LATTICE_fcc_ID , &
LATTICE_bcc_ID , &
LATTICE_hex_ID , &
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LATTICE_bct_ID , &
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LATTICE_ort_ID
end enum
integer ( kind ( LATTICE_undefined_ID ) ) , dimension ( : ) , allocatable , public , protected :: &
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lattice_structure , trans_lattice_structure
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integer ( pInt ) , dimension ( 2 ) , parameter , private :: &
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lattice_NsymOperations = [ 24_pInt , 12_pInt ]
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real ( pReal ) , dimension ( 4 , 36 ) , parameter , private :: &
lattice_symOperations = reshape ( [ &
1.0_pReal , 0.0_pReal , 0.0_pReal , 0.0_pReal , & ! cubic symmetry operations
0.0_pReal , 0.0_pReal , 0.7071067811865476_pReal , 0.7071067811865476_pReal , & ! 2-fold symmetry
0.0_pReal , 0.7071067811865476_pReal , 0.0_pReal , 0.7071067811865476_pReal , &
0.0_pReal , 0.7071067811865476_pReal , 0.7071067811865476_pReal , 0.0_pReal , &
0.0_pReal , 0.0_pReal , 0.7071067811865476_pReal , - 0.7071067811865476_pReal , &
0.0_pReal , - 0.7071067811865476_pReal , 0.0_pReal , 0.7071067811865476_pReal , &
0.0_pReal , 0.7071067811865476_pReal , - 0.7071067811865476_pReal , 0.0_pReal , &
0.5_pReal , 0.5_pReal , 0.5_pReal , 0.5_pReal , & ! 3-fold symmetry
- 0.5_pReal , 0.5_pReal , 0.5_pReal , 0.5_pReal , &
0.5_pReal , - 0.5_pReal , 0.5_pReal , 0.5_pReal , &
- 0.5_pReal , - 0.5_pReal , 0.5_pReal , 0.5_pReal , &
0.5_pReal , 0.5_pReal , - 0.5_pReal , 0.5_pReal , &
- 0.5_pReal , 0.5_pReal , - 0.5_pReal , 0.5_pReal , &
0.5_pReal , 0.5_pReal , 0.5_pReal , - 0.5_pReal , &
- 0.5_pReal , 0.5_pReal , 0.5_pReal , - 0.5_pReal , &
0.7071067811865476_pReal , 0.7071067811865476_pReal , 0.0_pReal , 0.0_pReal , & ! 4-fold symmetry
0.0_pReal , 1.0_pReal , 0.0_pReal , 0.0_pReal , &
- 0.7071067811865476_pReal , 0.7071067811865476_pReal , 0.0_pReal , 0.0_pReal , &
0.7071067811865476_pReal , 0.0_pReal , 0.7071067811865476_pReal , 0.0_pReal , &
0.0_pReal , 0.0_pReal , 1.0_pReal , 0.0_pReal , &
- 0.7071067811865476_pReal , 0.0_pReal , 0.7071067811865476_pReal , 0.0_pReal , &
0.7071067811865476_pReal , 0.0_pReal , 0.0_pReal , 0.7071067811865476_pReal , &
0.0_pReal , 0.0_pReal , 0.0_pReal , 1.0_pReal , &
- 0.7071067811865476_pReal , 0.0_pReal , 0.0_pReal , 0.7071067811865476_pReal , &
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!
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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 , 0.0_pReal , 1.0_pReal , 0.0_pReal , &
0.0_pReal , 0.5_pReal , 0.866025403784439_pReal , 0.0_pReal , &
0.0_pReal , - 0.5_pReal , 0.866025403784439_pReal , 0.0_pReal , &
0.0_pReal , 0.866025403784439_pReal , 0.5_pReal , 0.0_pReal , &
0.0_pReal , - 0.866025403784439_pReal , 0.5_pReal , 0.0_pReal , &
0.866025403784439_pReal , 0.0_pReal , 0.0_pReal , 0.5_pReal , & ! 6-fold symmetry
- 0.866025403784439_pReal , 0.0_pReal , 0.0_pReal , 0.5_pReal , &
0.5_pReal , 0.0_pReal , 0.0_pReal , 0.866025403784439_pReal , &
- 0.5_pReal , 0.0_pReal , 0.0_pReal , 0.866025403784439_pReal , &
0.0_pReal , 0.0_pReal , 0.0_pReal , 1.0_pReal &
] , [ 4 , 36 ] ) !< Symmetry operations as quaternions 24 for cubic, 12 for hexagonal = 36
public :: &
lattice_init , &
lattice_qDisorientation , &
LATTICE_fcc_ID , &
LATTICE_bcc_ID , &
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LATTICE_bct_ID , &
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LATTICE_hex_ID
contains
!--------------------------------------------------------------------------------------------------
!> @brief Module initialization
!--------------------------------------------------------------------------------------------------
subroutine lattice_init
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#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
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use , intrinsic :: iso_fortran_env , only : &
compiler_version , &
compiler_options
#endif
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use IO , only : &
IO_error , &
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IO_timeStamp
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use config , only : &
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config_phase
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implicit none
integer ( pInt ) :: Nphases
character ( len = 65536 ) :: &
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tag = ''
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integer ( pInt ) :: i , p
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real ( pReal ) , dimension ( : ) , allocatable :: &
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temp , &
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CoverA , & !< c/a ratio for low symmetry type lattice
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CoverA_trans , & !< c/a ratio for transformed hex type lattice
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a_fcc , & !< lattice parameter a for fcc austenite
a_bcc !< lattice paramater a for bcc martensite
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write ( 6 , '(/,a)' ) ' <<<+- lattice init -+>>>'
write ( 6 , '(a15,a)' ) ' Current time: ' , IO_timeStamp ( )
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#include "compilation_info.f90"
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Nphases = size ( config_phase )
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allocate ( lattice_structure ( Nphases ) , source = LATTICE_undefined_ID )
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allocate ( trans_lattice_structure ( Nphases ) , source = LATTICE_undefined_ID )
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allocate ( lattice_C66 ( 6 , 6 , Nphases ) , source = 0.0_pReal )
allocate ( lattice_C3333 ( 3 , 3 , 3 , 3 , Nphases ) , source = 0.0_pReal )
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allocate ( lattice_trans_C66 ( 6 , 6 , Nphases ) , source = 0.0_pReal )
allocate ( lattice_trans_C3333 ( 3 , 3 , 3 , 3 , Nphases ) , source = 0.0_pReal )
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allocate ( lattice_thermalExpansion33 ( 3 , 3 , 3 , Nphases ) , source = 0.0_pReal ) ! constant, linear, quadratic coefficients
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allocate ( lattice_thermalConductivity33 ( 3 , 3 , Nphases ) , source = 0.0_pReal )
allocate ( lattice_damageDiffusion33 ( 3 , 3 , Nphases ) , source = 0.0_pReal )
allocate ( lattice_vacancyfluxDiffusion33 ( 3 , 3 , Nphases ) , source = 0.0_pReal )
allocate ( lattice_vacancyfluxMobility33 ( 3 , 3 , Nphases ) , source = 0.0_pReal )
allocate ( lattice_PorosityDiffusion33 ( 3 , 3 , Nphases ) , source = 0.0_pReal )
allocate ( lattice_hydrogenfluxDiffusion33 ( 3 , 3 , Nphases ) , source = 0.0_pReal )
allocate ( lattice_hydrogenfluxMobility33 ( 3 , 3 , Nphases ) , source = 0.0_pReal )
allocate ( lattice_damageMobility ( Nphases ) , source = 0.0_pReal )
allocate ( lattice_PorosityMobility ( Nphases ) , source = 0.0_pReal )
allocate ( lattice_massDensity ( Nphases ) , source = 0.0_pReal )
allocate ( lattice_specificHeat ( Nphases ) , source = 0.0_pReal )
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allocate ( lattice_vacancyFormationEnergy ( Nphases ) , source = 0.0_pReal )
allocate ( lattice_vacancySurfaceEnergy ( Nphases ) , source = 0.0_pReal )
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allocate ( lattice_vacancyVol ( Nphases ) , source = 0.0_pReal )
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allocate ( lattice_hydrogenFormationEnergy ( Nphases ) , source = 0.0_pReal )
allocate ( lattice_hydrogenSurfaceEnergy ( Nphases ) , source = 0.0_pReal )
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allocate ( lattice_hydrogenVol ( Nphases ) , source = 0.0_pReal )
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allocate ( lattice_referenceTemperature ( Nphases ) , source = 30 0.0_pReal )
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allocate ( lattice_equilibriumVacancyConcentration ( Nphases ) , source = 0.0_pReal )
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allocate ( lattice_equilibriumHydrogenConcentration ( Nphases ) , source = 0.0_pReal )
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allocate ( lattice_mu ( Nphases ) , source = 0.0_pReal )
allocate ( lattice_nu ( Nphases ) , source = 0.0_pReal )
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allocate ( lattice_trans_mu ( Nphases ) , source = 0.0_pReal )
allocate ( lattice_trans_nu ( Nphases ) , source = 0.0_pReal )
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allocate ( lattice_NnonSchmid ( Nphases ) , source = 0_pInt )
allocate ( lattice_Sslip ( 3 , 3 , 1 + 2 * lattice_maxNnonSchmid , lattice_maxNslip , Nphases ) , source = 0.0_pReal )
allocate ( lattice_Sslip_v ( 6 , 1 + 2 * lattice_maxNnonSchmid , lattice_maxNslip , Nphases ) , source = 0.0_pReal )
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allocate ( lattice_Scleavage ( 3 , 3 , 3 , lattice_maxNslip , Nphases ) , source = 0.0_pReal )
allocate ( lattice_Scleavage_v ( 6 , 3 , lattice_maxNslip , Nphases ) , source = 0.0_pReal )
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allocate ( lattice_Qtwin ( 3 , 3 , lattice_maxNtwin , Nphases ) , source = 0.0_pReal )
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allocate ( lattice_Stwin ( 3 , 3 , lattice_maxNtwin , Nphases ) , source = 0.0_pReal )
allocate ( lattice_Stwin_v ( 6 , lattice_maxNtwin , Nphases ) , source = 0.0_pReal )
allocate ( lattice_shearTwin ( lattice_maxNtwin , Nphases ) , source = 0.0_pReal )
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allocate ( lattice_shearTrans ( lattice_maxNtrans , Nphases ) , source = 0.0_pReal )
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allocate ( lattice_Qtrans ( 3 , 3 , lattice_maxNtrans , Nphases ) , source = 0.0_pReal )
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allocate ( lattice_Strans ( 3 , 3 , lattice_maxNtrans , Nphases ) , source = 0.0_pReal )
allocate ( lattice_Strans_v ( 6 , lattice_maxNtrans , Nphases ) , source = 0.0_pReal )
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allocate ( lattice_projectionTrans ( lattice_maxNtrans , lattice_maxNtrans , Nphases ) , source = 0.0_pReal )
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allocate ( lattice_NslipSystem ( lattice_maxNslipFamily , Nphases ) , source = 0_pInt )
allocate ( lattice_NtwinSystem ( lattice_maxNtwinFamily , Nphases ) , source = 0_pInt )
allocate ( lattice_NtransSystem ( lattice_maxNtransFamily , Nphases ) , source = 0_pInt )
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allocate ( lattice_NcleavageSystem ( lattice_maxNcleavageFamily , Nphases ) , source = 0_pInt )
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allocate ( lattice_interactionSlipSlip ( lattice_maxNslip , lattice_maxNslip , Nphases ) , source = 0_pInt ) ! other:me
allocate ( lattice_interactionSlipTwin ( lattice_maxNslip , lattice_maxNtwin , Nphases ) , source = 0_pInt ) ! other:me
allocate ( lattice_interactionTwinSlip ( lattice_maxNtwin , lattice_maxNslip , Nphases ) , source = 0_pInt ) ! other:me
allocate ( lattice_interactionTwinTwin ( lattice_maxNtwin , lattice_maxNtwin , Nphases ) , source = 0_pInt ) ! other:me
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allocate ( lattice_interactionSlipTrans ( lattice_maxNslip , lattice_maxNtrans , Nphases ) , source = 0_pInt ) ! other:me
allocate ( lattice_interactionTransSlip ( lattice_maxNtrans , lattice_maxNslip , Nphases ) , source = 0_pInt ) ! other:me
allocate ( lattice_interactionTransTrans ( lattice_maxNtrans , lattice_maxNtrans , Nphases ) , source = 0_pInt ) ! other:me
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allocate ( CoverA ( Nphases ) , source = 0.0_pReal )
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allocate ( CoverA_trans ( Nphases ) , source = 0.0_pReal )
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allocate ( a_fcc ( Nphases ) , source = 0.0_pReal )
allocate ( a_bcc ( Nphases ) , source = 0.0_pReal )
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allocate ( lattice_td ( 3 , lattice_maxNtwin , Nphases ) , source = 0.0_pReal )
allocate ( lattice_tt ( 3 , lattice_maxNtwin , Nphases ) , source = 0.0_pReal )
allocate ( lattice_tn ( 3 , lattice_maxNtwin , Nphases ) , source = 0.0_pReal )
allocate ( lattice_sd ( 3 , lattice_maxNslip , Nphases ) , source = 0.0_pReal )
allocate ( lattice_st ( 3 , lattice_maxNslip , Nphases ) , source = 0.0_pReal )
allocate ( lattice_sn ( 3 , lattice_maxNslip , Nphases ) , source = 0.0_pReal )
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do p = 1 , size ( config_phase )
tag = config_phase ( p ) % getString ( 'lattice_structure' )
select case ( trim ( tag ) )
case ( 'iso' , 'isotropic' )
lattice_structure ( p ) = LATTICE_iso_ID
case ( 'fcc' )
lattice_structure ( p ) = LATTICE_fcc_ID
case ( 'bcc' )
lattice_structure ( p ) = LATTICE_bcc_ID
case ( 'hex' , 'hexagonal' )
lattice_structure ( p ) = LATTICE_hex_ID
case ( 'bct' )
lattice_structure ( p ) = LATTICE_bct_ID
case ( 'ort' , 'orthorhombic' )
lattice_structure ( p ) = LATTICE_ort_ID
end select
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tag = 'undefined'
tag = config_phase ( p ) % getString ( 'trans_lattice_structure' , defaultVal = tag )
select case ( trim ( tag ) )
case ( 'bcc' )
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trans_lattice_structure ( p ) = LATTICE_bcc_ID
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case ( 'hex' , 'hexagonal' )
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trans_lattice_structure ( p ) = LATTICE_hex_ID
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end select
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lattice_C66 ( 1 , 1 , p ) = config_phase ( p ) % getFloat ( 'c11' , defaultVal = 0.0_pReal )
lattice_C66 ( 1 , 2 , p ) = config_phase ( p ) % getFloat ( 'c12' , defaultVal = 0.0_pReal )
lattice_C66 ( 1 , 3 , p ) = config_phase ( p ) % getFloat ( 'c13' , defaultVal = 0.0_pReal )
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lattice_C66 ( 2 , 2 , p ) = config_phase ( p ) % getFloat ( 'c22' , defaultVal = 0.0_pReal )
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lattice_C66 ( 2 , 3 , p ) = config_phase ( p ) % getFloat ( 'c23' , defaultVal = 0.0_pReal )
lattice_C66 ( 3 , 3 , p ) = config_phase ( p ) % getFloat ( 'c33' , defaultVal = 0.0_pReal )
lattice_C66 ( 4 , 4 , p ) = config_phase ( p ) % getFloat ( 'c44' , defaultVal = 0.0_pReal )
lattice_C66 ( 5 , 5 , p ) = config_phase ( p ) % getFloat ( 'c55' , defaultVal = 0.0_pReal )
lattice_C66 ( 6 , 6 , p ) = config_phase ( p ) % getFloat ( 'c66' , defaultVal = 0.0_pReal )
lattice_trans_C66 ( 1 , 1 , p ) = config_phase ( p ) % getFloat ( 'c11_trans' , defaultVal = 0.0_pReal )
lattice_trans_C66 ( 1 , 2 , p ) = config_phase ( p ) % getFloat ( 'c12_trans' , defaultVal = 0.0_pReal )
lattice_trans_C66 ( 1 , 3 , p ) = config_phase ( p ) % getFloat ( 'c13_trans' , defaultVal = 0.0_pReal )
lattice_trans_C66 ( 2 , 2 , p ) = config_phase ( p ) % getFloat ( 'c22_trans' , defaultVal = 0.0_pReal )
lattice_trans_C66 ( 2 , 3 , p ) = config_phase ( p ) % getFloat ( 'c23_trans' , defaultVal = 0.0_pReal )
lattice_trans_C66 ( 3 , 3 , p ) = config_phase ( p ) % getFloat ( 'c33_trans' , defaultVal = 0.0_pReal )
lattice_trans_C66 ( 4 , 4 , p ) = config_phase ( p ) % getFloat ( 'c44_trans' , defaultVal = 0.0_pReal )
lattice_trans_C66 ( 5 , 5 , p ) = config_phase ( p ) % getFloat ( 'c55_trans' , defaultVal = 0.0_pReal )
lattice_trans_C66 ( 6 , 6 , p ) = config_phase ( p ) % getFloat ( 'c66_trans' , defaultVal = 0.0_pReal )
CoverA ( p ) = config_phase ( p ) % getFloat ( 'c/a' , defaultVal = 0.0_pReal )
CoverA_trans ( p ) = config_phase ( p ) % getFloat ( 'c/a_trans' , defaultVal = 0.0_pReal )
a_fcc ( p ) = config_phase ( p ) % getFloat ( 'a_fcc' , defaultVal = 0.0_pReal )
a_bcc ( p ) = config_phase ( p ) % getFloat ( 'a_bcc' , defaultVal = 0.0_pReal )
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lattice_thermalConductivity33 ( 1 , 1 , p ) = config_phase ( p ) % getFloat ( 'thermal_conductivity11' , defaultVal = 0.0_pReal )
lattice_thermalConductivity33 ( 2 , 2 , p ) = config_phase ( p ) % getFloat ( 'thermal_conductivity22' , defaultVal = 0.0_pReal )
lattice_thermalConductivity33 ( 3 , 3 , p ) = config_phase ( p ) % getFloat ( 'thermal_conductivity33' , defaultVal = 0.0_pReal )
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temp = config_phase ( p ) % getFloats ( 'thermal_expansion11' , defaultVal = [ 0.0_pReal ] ) ! read up to three parameters (constant, linear, quadratic with T)
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lattice_thermalExpansion33 ( 1 , 1 , 1 : size ( temp ) , p ) = temp
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temp = config_phase ( p ) % getFloats ( 'thermal_expansion22' , defaultVal = [ 0.0_pReal ] ) ! read up to three parameters (constant, linear, quadratic with T)
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lattice_thermalExpansion33 ( 2 , 2 , 1 : size ( temp ) , p ) = temp
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temp = config_phase ( p ) % getFloats ( 'thermal_expansion33' , defaultVal = [ 0.0_pReal ] ) ! read up to three parameters (constant, linear, quadratic with T)
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lattice_thermalExpansion33 ( 3 , 3 , 1 : size ( temp ) , p ) = temp
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lattice_specificHeat ( p ) = config_phase ( p ) % getFloat ( 'specific_heat' , defaultVal = 0.0_pReal )
lattice_vacancyFormationEnergy ( p ) = config_phase ( p ) % getFloat ( 'vacancyformationenergy' , defaultVal = 0.0_pReal )
lattice_vacancySurfaceEnergy ( p ) = config_phase ( p ) % getFloat ( 'vacancyvolume' , defaultVal = 0.0_pReal )
lattice_vacancyVol ( p ) = config_phase ( p ) % getFloat ( 'vacancysurfaceenergy' , defaultVal = 0.0_pReal )
lattice_hydrogenFormationEnergy ( p ) = config_phase ( p ) % getFloat ( 'hydrogenformationenergy' , defaultVal = 0.0_pReal )
lattice_hydrogenSurfaceEnergy ( p ) = config_phase ( p ) % getFloat ( 'hydrogensurfaceenergy' , defaultVal = 0.0_pReal )
lattice_hydrogenVol ( p ) = config_phase ( p ) % getFloat ( 'hydrogenvolume' , defaultVal = 0.0_pReal )
lattice_massDensity ( p ) = config_phase ( p ) % getFloat ( 'mass_density' , defaultVal = 0.0_pReal )
lattice_referenceTemperature ( p ) = config_phase ( p ) % getFloat ( 'reference_temperature' , defaultVal = 0.0_pReal )
lattice_DamageDiffusion33 ( 1 , 1 , p ) = config_phase ( p ) % getFloat ( 'damage_diffusion11' , defaultVal = 0.0_pReal )
lattice_DamageDiffusion33 ( 2 , 2 , p ) = config_phase ( p ) % getFloat ( 'damage_diffusion22' , defaultVal = 0.0_pReal )
lattice_DamageDiffusion33 ( 3 , 3 , p ) = config_phase ( p ) % getFloat ( 'damage_diffusion33' , defaultVal = 0.0_pReal )
lattice_DamageMobility ( p ) = config_phase ( p ) % getFloat ( 'damage_mobility' , defaultVal = 0.0_pReal )
lattice_vacancyfluxDiffusion33 ( 1 , 1 , p ) = config_phase ( p ) % getFloat ( 'vacancyflux_diffusion11' , defaultVal = 0.0_pReal )
lattice_vacancyfluxDiffusion33 ( 2 , 2 , p ) = config_phase ( p ) % getFloat ( 'vacancyflux_diffusion22' , defaultVal = 0.0_pReal )
lattice_vacancyfluxDiffusion33 ( 3 , 3 , p ) = config_phase ( p ) % getFloat ( 'vacancyflux_diffusion33' , defaultVal = 0.0_pReal )
lattice_vacancyfluxMobility33 ( 1 , 1 , p ) = config_phase ( p ) % getFloat ( 'vacancyflux_mobility11' , defaultVal = 0.0_pReal )
lattice_vacancyfluxMobility33 ( 2 , 2 , p ) = config_phase ( p ) % getFloat ( 'vacancyflux_mobility22' , defaultVal = 0.0_pReal )
lattice_vacancyfluxMobility33 ( 3 , 3 , p ) = config_phase ( p ) % getFloat ( 'vacancyflux_mobility33' , defaultVal = 0.0_pReal )
lattice_PorosityDiffusion33 ( 1 , 1 , p ) = config_phase ( p ) % getFloat ( 'porosity_diffusion11' , defaultVal = 0.0_pReal )
lattice_PorosityDiffusion33 ( 2 , 2 , p ) = config_phase ( p ) % getFloat ( 'porosity_diffusion22' , defaultVal = 0.0_pReal )
lattice_PorosityDiffusion33 ( 3 , 3 , p ) = config_phase ( p ) % getFloat ( 'porosity_diffusion33' , defaultVal = 0.0_pReal )
lattice_PorosityMobility ( p ) = config_phase ( p ) % getFloat ( 'porosity_mobility' , defaultVal = 0.0_pReal )
lattice_hydrogenfluxDiffusion33 ( 1 , 1 , p ) = config_phase ( p ) % getFloat ( 'hydrogenflux_diffusion11' , defaultVal = 0.0_pReal )
lattice_hydrogenfluxDiffusion33 ( 2 , 2 , p ) = config_phase ( p ) % getFloat ( 'hydrogenflux_diffusion22' , defaultVal = 0.0_pReal )
lattice_hydrogenfluxDiffusion33 ( 3 , 3 , p ) = config_phase ( p ) % getFloat ( 'hydrogenflux_diffusion33' , defaultVal = 0.0_pReal )
lattice_hydrogenfluxMobility33 ( 1 , 1 , p ) = config_phase ( p ) % getFloat ( 'hydrogenflux_mobility11' , defaultVal = 0.0_pReal )
lattice_hydrogenfluxMobility33 ( 2 , 2 , p ) = config_phase ( p ) % getFloat ( 'hydrogenflux_mobility22' , defaultVal = 0.0_pReal )
lattice_hydrogenfluxMobility33 ( 3 , 3 , p ) = config_phase ( p ) % getFloat ( 'hydrogenflux_mobility33' , defaultVal = 0.0_pReal )
lattice_equilibriumVacancyConcentration ( p ) = config_phase ( p ) % getFloat ( 'vacancy_eqcv' , defaultVal = 0.0_pReal )
lattice_equilibriumHydrogenConcentration ( p ) = config_phase ( p ) % getFloat ( 'hydrogen_eqch' , defaultVal = 0.0_pReal )
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enddo
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do i = 1_pInt , Nphases
if ( ( CoverA ( i ) < 1.0_pReal . or . CoverA ( i ) > 2.0_pReal ) &
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. and . lattice_structure ( i ) == LATTICE_hex_ID ) call IO_error ( 131_pInt , el = i ) ! checking physical significance of c/a
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if ( ( CoverA ( i ) > 2.0_pReal ) &
. and . lattice_structure ( i ) == LATTICE_bct_ID ) call IO_error ( 131_pInt , el = i ) ! checking physical significance of c/a
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call lattice_initializeStructure ( i , CoverA ( i ) , CoverA_trans ( i ) , a_fcc ( i ) , a_bcc ( i ) )
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enddo
end subroutine lattice_init
!--------------------------------------------------------------------------------------------------
!> @brief Calculation of Schmid matrices, etc.
!--------------------------------------------------------------------------------------------------
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subroutine lattice_initializeStructure ( myPhase , CoverA , CoverA_trans , a_fcc , a_bcc )
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use prec , only : &
tol_math_check
use math , only : &
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math_crossproduct , &
math_tensorproduct33 , &
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math_mul33x33 , &
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math_mul33x3 , &
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math_transpose33 , &
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math_trace33 , &
math_symmetric33 , &
math_Mandel33to6 , &
math_Mandel3333to66 , &
math_Voigt66to3333 , &
math_axisAngleToR , &
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INRAD , &
MATH_I3
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use IO , only : &
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IO_error , &
IO_warning
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implicit none
integer ( pInt ) , intent ( in ) :: myPhase
real ( pReal ) , intent ( in ) :: &
CoverA , &
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CoverA_trans , &
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a_fcc , &
a_bcc
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real ( pReal ) , dimension ( 3 ) :: &
sdU , snU , &
np , nn
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real ( pReal ) , dimension ( 3 , 3 ) :: &
sstr , sdtr , sttr
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real ( pReal ) , dimension ( 3 , lattice_maxNslip ) :: &
sd , sn
real ( pReal ) , dimension ( 3 , 3 , 2 , lattice_maxNnonSchmid , lattice_maxNslip ) :: &
sns
real ( pReal ) , dimension ( 3 , lattice_maxNtwin ) :: &
td , tn
real ( pReal ) , dimension ( lattice_maxNtwin ) :: &
ts
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real ( pReal ) , dimension ( lattice_maxNtrans ) :: &
trs
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real ( pReal ) , dimension ( 3 , lattice_maxNtrans ) :: &
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xtr , ytr , ztr
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real ( pReal ) , dimension ( 3 , 3 , lattice_maxNtrans ) :: &
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Rtr , Utr , Btr , Qtr , Str
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real ( pReal ) , dimension ( 3 , lattice_maxNcleavage ) :: &
cd , cn , ct
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integer ( pInt ) :: &
i , j , &
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myNslip = 0_pInt , myNtwin = 0_pInt , myNtrans = 0_pInt , myNcleavage = 0_pInt
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real ( pReal ) :: c11bar , c12bar , c13bar , c14bar , c33bar , c44bar , A , B
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lattice_C66 ( 1 : 6 , 1 : 6 , myPhase ) = lattice_symmetrizeC66 ( lattice_structure ( myPhase ) , &
lattice_C66 ( 1 : 6 , 1 : 6 , myPhase ) )
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lattice_mu ( myPhase ) = 0.2_pReal * ( lattice_C66 ( 1 , 1 , myPhase ) &
- lattice_C66 ( 1 , 2 , myPhase ) &
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+ 3.0_pReal * lattice_C66 ( 4 , 4 , myPhase ) ) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
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lattice_nu ( myPhase ) = ( lattice_C66 ( 1 , 1 , myPhase ) &
+ 4.0_pReal * lattice_C66 ( 1 , 2 , myPhase ) &
- 2.0_pReal * lattice_C66 ( 4 , 4 , myPhase ) ) &
/ ( 4.0_pReal * lattice_C66 ( 1 , 1 , myPhase ) &
+ 6.0_pReal * lattice_C66 ( 1 , 2 , myPhase ) &
+ 2.0_pReal * lattice_C66 ( 4 , 4 , myPhase ) ) ! C12iso/(C11iso+C12iso) with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
lattice_C3333 ( 1 : 3 , 1 : 3 , 1 : 3 , 1 : 3 , myPhase ) = math_Voigt66to3333 ( lattice_C66 ( 1 : 6 , 1 : 6 , myPhase ) ) ! Literature data is Voigt
lattice_C66 ( 1 : 6 , 1 : 6 , myPhase ) = math_Mandel3333to66 ( lattice_C3333 ( 1 : 3 , 1 : 3 , 1 : 3 , 1 : 3 , myPhase ) ) ! DAMASK uses Mandel
do i = 1_pInt , 6_pInt
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if ( abs ( lattice_C66 ( i , i , myPhase ) ) < tol_math_check ) &
call IO_error ( 135_pInt , el = i , ip = myPhase , ext_msg = 'matrix diagonal "el"ement of phase "ip"' )
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enddo
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! Elasticity matrices for transformed phase
select case ( lattice_structure ( myPhase ) )
case ( LATTICE_fcc_ID )
select case ( trans_lattice_structure ( myPhase ) )
case ( LATTICE_bcc_ID )
lattice_trans_C66 ( 1 : 6 , 1 : 6 , myPhase ) = lattice_C66 ( 1 : 6 , 1 : 6 , myPhase )
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lattice_trans_mu ( myPhase ) = lattice_mu ( myPhase )
lattice_trans_nu ( myPhase ) = lattice_nu ( myPhase )
lattice_trans_C3333 ( 1 : 3 , 1 : 3 , 1 : 3 , 1 : 3 , myPhase ) = lattice_C3333 ( 1 : 3 , 1 : 3 , 1 : 3 , 1 : 3 , myPhase )
lattice_trans_C66 ( 1 : 6 , 1 : 6 , myPhase ) = math_Mandel3333to66 ( lattice_trans_C3333 ( 1 : 3 , 1 : 3 , 1 : 3 , 1 : 3 , myPhase ) )
do i = 1_pInt , 6_pInt
if ( abs ( lattice_trans_C66 ( i , i , myPhase ) ) < tol_math_check ) &
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call IO_error ( 135_pInt , el = i , ip = myPhase , ext_msg = 'matrix diagonal "el"ement of phase "ip" in fcc-->bcc transformation' )
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enddo
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case ( LATTICE_hex_ID )
c11bar = ( lattice_C66 ( 1 , 1 , myPhase ) + lattice_C66 ( 1 , 2 , myPhase ) + 2.0_pReal * lattice_C66 ( 4 , 4 , myPhase ) ) / 2.0_pReal
c12bar = ( lattice_C66 ( 1 , 1 , myPhase ) + 5.0_pReal * lattice_C66 ( 1 , 2 , myPhase ) - 2.0_pReal * lattice_C66 ( 4 , 4 , myPhase ) ) / 6.0_pReal
c33bar = ( lattice_C66 ( 1 , 1 , myPhase ) + 2.0_pReal * lattice_C66 ( 1 , 2 , myPhase ) + 4.0_pReal * lattice_C66 ( 4 , 4 , myPhase ) ) / 3.0_pReal
c13bar = ( lattice_C66 ( 1 , 1 , myPhase ) + 2.0_pReal * lattice_C66 ( 1 , 2 , myPhase ) - 2.0_pReal * lattice_C66 ( 4 , 4 , myPhase ) ) / 3.0_pReal
c44bar = ( lattice_C66 ( 1 , 1 , myPhase ) - lattice_C66 ( 1 , 2 , myPhase ) + lattice_C66 ( 4 , 4 , myPhase ) ) / 3.0_pReal
c14bar = ( lattice_C66 ( 1 , 1 , myPhase ) - lattice_C66 ( 1 , 2 , myPhase ) - 2.0_pReal * lattice_C66 ( 4 , 4 , myPhase ) ) &
/ ( 3.0_pReal * sqrt ( 2.0_pReal ) )
A = c14bar ** ( 2.0_pReal ) / c44bar
B = c14bar ** ( 2.0_pReal ) / ( 0.5_pReal * ( c11bar - c12bar ) )
lattice_trans_C66 ( 1 , 1 , myPhase ) = c11bar - A
lattice_trans_C66 ( 1 , 2 , myPhase ) = c12bar + A
lattice_trans_C66 ( 1 , 3 , myPhase ) = c13bar
lattice_trans_C66 ( 3 , 3 , myPhase ) = c33bar
lattice_trans_C66 ( 4 , 4 , myPhase ) = c44bar - B
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lattice_trans_C66 ( 1 : 6 , 1 : 6 , myPhase ) = lattice_symmetrizeC66 ( trans_lattice_structure ( myPhase ) , &
lattice_trans_C66 ( 1 : 6 , 1 : 6 , myPhase ) )
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lattice_trans_mu ( myPhase ) = 0.2_pReal * ( lattice_trans_C66 ( 1 , 1 , myPhase ) &
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- lattice_trans_C66 ( 1 , 2 , myPhase ) &
+ 3.0_pReal * lattice_trans_C66 ( 4 , 4 , myPhase ) )
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lattice_trans_nu ( myPhase ) = ( lattice_trans_C66 ( 1 , 1 , myPhase ) &
+ 4.0_pReal * lattice_trans_C66 ( 1 , 2 , myPhase ) &
- 2.0_pReal * lattice_trans_C66 ( 4 , 4 , myPhase ) ) &
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/ ( 4.0_pReal * lattice_trans_C66 ( 1 , 1 , myPhase ) &
+ 6.0_pReal * lattice_trans_C66 ( 1 , 2 , myPhase ) &
+ 2.0_pReal * lattice_trans_C66 ( 4 , 4 , myPhase ) )
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lattice_trans_C3333 ( 1 : 3 , 1 : 3 , 1 : 3 , 1 : 3 , myPhase ) = math_Voigt66to3333 ( lattice_trans_C66 ( 1 : 6 , 1 : 6 , myPhase ) )
lattice_trans_C66 ( 1 : 6 , 1 : 6 , myPhase ) = math_Mandel3333to66 ( lattice_trans_C3333 ( 1 : 3 , 1 : 3 , 1 : 3 , 1 : 3 , myPhase ) )
do i = 1_pInt , 6_pInt
if ( abs ( lattice_trans_C66 ( i , i , myPhase ) ) < tol_math_check ) &
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call IO_error ( 135_pInt , el = i , ip = myPhase , ext_msg = 'matrix diagonal "el"ement of phase "ip" in fcc-->hex transformation' )
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enddo
end select
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end select
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forall ( i = 1_pInt : 3_pInt ) &
lattice_thermalExpansion33 ( 1 : 3 , 1 : 3 , i , myPhase ) = lattice_symmetrize33 ( lattice_structure ( myPhase ) , &
lattice_thermalExpansion33 ( 1 : 3 , 1 : 3 , i , myPhase ) )
lattice_thermalConductivity33 ( 1 : 3 , 1 : 3 , myPhase ) = lattice_symmetrize33 ( lattice_structure ( myPhase ) , &
lattice_thermalConductivity33 ( 1 : 3 , 1 : 3 , myPhase ) )
lattice_DamageDiffusion33 ( 1 : 3 , 1 : 3 , myPhase ) = lattice_symmetrize33 ( lattice_structure ( myPhase ) , &
lattice_DamageDiffusion33 ( 1 : 3 , 1 : 3 , myPhase ) )
lattice_vacancyfluxDiffusion33 ( 1 : 3 , 1 : 3 , myPhase ) = lattice_symmetrize33 ( lattice_structure ( myPhase ) , &
lattice_vacancyfluxDiffusion33 ( 1 : 3 , 1 : 3 , myPhase ) )
lattice_vacancyfluxMobility33 ( 1 : 3 , 1 : 3 , myPhase ) = lattice_symmetrize33 ( lattice_structure ( myPhase ) , &
lattice_vacancyfluxMobility33 ( 1 : 3 , 1 : 3 , myPhase ) )
lattice_PorosityDiffusion33 ( 1 : 3 , 1 : 3 , myPhase ) = lattice_symmetrize33 ( lattice_structure ( myPhase ) , &
lattice_PorosityDiffusion33 ( 1 : 3 , 1 : 3 , myPhase ) )
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lattice_hydrogenfluxDiffusion33 ( 1 : 3 , 1 : 3 , myPhase ) = lattice_symmetrize33 ( lattice_structure ( myPhase ) , &
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lattice_hydrogenfluxDiffusion33 ( 1 : 3 , 1 : 3 , myPhase ) )
lattice_hydrogenfluxMobility33 ( 1 : 3 , 1 : 3 , myPhase ) = lattice_symmetrize33 ( lattice_structure ( myPhase ) , &
lattice_hydrogenfluxMobility33 ( 1 : 3 , 1 : 3 , myPhase ) )
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select case ( lattice_structure ( myPhase ) )
!--------------------------------------------------------------------------------------------------
! fcc
case ( LATTICE_fcc_ID )
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myNslip = lattice_fcc_Nslip
myNtwin = lattice_fcc_Ntwin
myNtrans = lattice_fcc_Ntrans
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myNcleavage = lattice_fcc_Ncleavage
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do i = 1_pInt , myNslip ! assign slip system vectors
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sd ( 1 : 3 , i ) = lattice_fcc_systemSlip ( 1 : 3 , i )
sn ( 1 : 3 , i ) = lattice_fcc_systemSlip ( 4 : 6 , i )
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enddo
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do i = 1_pInt , myNtwin ! assign twin system vectors and shears
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td ( 1 : 3 , i ) = lattice_fcc_systemTwin ( 1 : 3 , i )
tn ( 1 : 3 , i ) = lattice_fcc_systemTwin ( 4 : 6 , i )
ts ( i ) = lattice_fcc_shearTwin ( i )
enddo
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do i = 1_pInt , myNcleavage ! assign cleavage system vectors
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cd ( 1 : 3 , i ) = lattice_fcc_systemCleavage ( 1 : 3 , i ) / norm2 ( lattice_fcc_systemCleavage ( 1 : 3 , i ) )
cn ( 1 : 3 , i ) = lattice_fcc_systemCleavage ( 4 : 6 , i ) / norm2 ( lattice_fcc_systemCleavage ( 4 : 6 , i ) )
ct ( 1 : 3 , i ) = math_crossproduct ( cd ( 1 : 3 , i ) , cn ( 1 : 3 , i ) )
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enddo
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! Phase transformation
select case ( trans_lattice_structure ( myPhase ) )
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case ( LATTICE_bcc_ID ) ! fcc to bcc transformation
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do i = 1_pInt , myNtrans
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Rtr ( 1 : 3 , 1 : 3 , i ) = math_axisAngleToR ( lattice_fccTobcc_systemTrans ( 1 : 3 , i ) , & ! Pitsch rotation
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lattice_fccTobcc_systemTrans ( 4 , i ) * INRAD )
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Btr ( 1 : 3 , 1 : 3 , i ) = math_axisAngleToR ( lattice_fccTobcc_bainRot ( 1 : 3 , i ) , & ! Rotation of fcc to Bain coordinate system
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lattice_fccTobcc_bainRot ( 4 , i ) * INRAD )
xtr ( 1 : 3 , i ) = real ( LATTICE_fccTobcc_bainVariant ( 1 : 3 , i ) , pReal )
ytr ( 1 : 3 , i ) = real ( LATTICE_fccTobcc_bainVariant ( 4 : 6 , i ) , pReal )
ztr ( 1 : 3 , i ) = real ( LATTICE_fccTobcc_bainVariant ( 7 : 9 , i ) , pReal )
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Utr ( 1 : 3 , 1 : 3 , i ) = 0.0_pReal ! Bain deformation
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if ( ( a_fcc > 0.0_pReal ) . and . ( a_bcc > 0.0_pReal ) ) then
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Utr ( 1 : 3 , 1 : 3 , i ) = ( a_bcc / a_fcc ) * math_tensorproduct33 ( xtr ( 1 : 3 , i ) , xtr ( 1 : 3 , i ) ) + &
sqrt ( 2.0_pReal ) * ( a_bcc / a_fcc ) * math_tensorproduct33 ( ytr ( 1 : 3 , i ) , ytr ( 1 : 3 , i ) ) + &
sqrt ( 2.0_pReal ) * ( a_bcc / a_fcc ) * math_tensorproduct33 ( ztr ( 1 : 3 , i ) , ztr ( 1 : 3 , i ) )
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endif
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Qtr ( 1 : 3 , 1 : 3 , i ) = math_mul33x33 ( Rtr ( 1 : 3 , 1 : 3 , i ) , Btr ( 1 : 3 , 1 : 3 , i ) )
Str ( 1 : 3 , 1 : 3 , i ) = math_mul33x33 ( Rtr ( 1 : 3 , 1 : 3 , i ) , Utr ( 1 : 3 , 1 : 3 , i ) ) - MATH_I3
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enddo
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case ( LATTICE_hex_ID )
sstr ( 1 : 3 , 1 : 3 ) = MATH_I3
sstr ( 1 , 3 ) = sqrt ( 2.0_pReal ) / 4.0_pReal
sdtr ( 1 : 3 , 1 : 3 ) = MATH_I3
if ( CoverA_trans > 1.0_pReal . and . CoverA_trans < 2.0_pReal ) then
sdtr ( 3 , 3 ) = CoverA_trans / sqrt ( 8.0_pReal / 3.0_pReal )
endif
sttr = math_mul33x33 ( sdtr , sstr )
do i = 1_pInt , myNtrans
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xtr ( 1 : 3 , i ) = lattice_fccTohex_systemTrans ( 1 : 3 , i ) / norm2 ( lattice_fccTohex_systemTrans ( 1 : 3 , i ) )
ztr ( 1 : 3 , i ) = lattice_fccTohex_systemTrans ( 4 : 6 , i ) / norm2 ( lattice_fccTohex_systemTrans ( 4 : 6 , i ) )
ytr ( 1 : 3 , i ) = - math_crossproduct ( xtr ( 1 : 3 , i ) , ztr ( 1 : 3 , i ) )
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Rtr ( 1 : 3 , 1 , i ) = xtr ( 1 : 3 , i )
Rtr ( 1 : 3 , 2 , i ) = ytr ( 1 : 3 , i )
Rtr ( 1 : 3 , 3 , i ) = ztr ( 1 : 3 , i )
Qtr ( 1 : 3 , 1 : 3 , i ) = Rtr ( 1 : 3 , 1 : 3 , i )
Str ( 1 : 3 , 1 : 3 , i ) = math_mul33x33 ( Rtr ( 1 : 3 , 1 : 3 , i ) , math_mul33x33 ( sttr , math_transpose33 ( Rtr ( 1 : 3 , 1 : 3 , i ) ) ) )
Str ( 1 : 3 , 1 : 3 , i ) = Str ( 1 : 3 , 1 : 3 , i ) - MATH_I3
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trs ( i ) = lattice_fccTohex_shearTrans ( i )
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enddo
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case default
Qtr = 0.0_pReal
Str = 0.0_pReal
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end select
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lattice_NslipSystem ( 1 : lattice_maxNslipFamily , myPhase ) = lattice_fcc_NslipSystem
lattice_NtwinSystem ( 1 : lattice_maxNtwinFamily , myPhase ) = lattice_fcc_NtwinSystem
lattice_NtransSystem ( 1 : lattice_maxNtransFamily , myPhase ) = lattice_fcc_NtransSystem
lattice_NcleavageSystem ( 1 : lattice_maxNcleavageFamily , myPhase ) = lattice_fcc_NcleavageSystem
lattice_NnonSchmid ( myPhase ) = lattice_fcc_NnonSchmid
lattice_interactionSlipSlip ( 1 : myNslip , 1 : myNslip , myPhase ) = lattice_fcc_interactionSlipSlip
lattice_interactionSlipTwin ( 1 : myNslip , 1 : myNtwin , myPhase ) = lattice_fcc_interactionSlipTwin
lattice_interactionTwinSlip ( 1 : myNtwin , 1 : myNslip , myPhase ) = lattice_fcc_interactionTwinSlip
lattice_interactionTwinTwin ( 1 : myNtwin , 1 : myNtwin , myPhase ) = lattice_fcc_interactionTwinTwin
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lattice_interactionSlipTrans ( 1 : myNslip , 1 : myNtrans , myPhase ) = lattice_fccTohex_interactionSlipTrans
lattice_interactionTransSlip ( 1 : myNtrans , 1 : myNslip , myPhase ) = lattice_fccTohex_interactionTransSlip
lattice_interactionTransTrans ( 1 : myNtrans , 1 : myNtrans , myPhase ) = lattice_fccTohex_interactionTransTrans
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lattice_projectionTrans ( 1 : myNtrans , 1 : myNtrans , myPhase ) = LATTICE_fccTobcc_projectionTrans * &
LATTICE_fccTobcc_projectionTransFactor
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!--------------------------------------------------------------------------------------------------
! bcc
case ( LATTICE_bcc_ID )
myNslip = lattice_bcc_Nslip
myNtwin = lattice_bcc_Ntwin
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myNtrans = lattice_bcc_Ntrans
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myNcleavage = lattice_bcc_Ncleavage
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do i = 1_pInt , myNslip ! assign slip system vectors
sd ( 1 : 3 , i ) = lattice_bcc_systemSlip ( 1 : 3 , i )
sn ( 1 : 3 , i ) = lattice_bcc_systemSlip ( 4 : 6 , i )
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sdU = sd ( 1 : 3 , i ) / norm2 ( sd ( 1 : 3 , i ) )
snU = sn ( 1 : 3 , i ) / norm2 ( sn ( 1 : 3 , i ) )
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! "np" and "nn" according to Gröger_etal2008, Acta Materialia 56 (2008) 5412– 5425, table 1 (corresponds to their "n1" for positive and negative slip direction respectively)
np = math_mul33x3 ( math_axisAngleToR ( sdU , 6 0.0_pReal * INRAD ) , snU )
nn = math_mul33x3 ( math_axisAngleToR ( - sdU , 6 0.0_pReal * INRAD ) , snU )
! Schmid matrices with non-Schmid contributions according to Koester_etal2012, Acta Materialia 60 (2012) 3894– 3901, eq. (17) ("n1" is replaced by either "np" or "nn" according to either positive or negative slip direction)
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sns ( 1 : 3 , 1 : 3 , 1 , 1 , i ) = math_tensorproduct33 ( sdU , np )
sns ( 1 : 3 , 1 : 3 , 2 , 1 , i ) = math_tensorproduct33 ( - sdU , nn )
sns ( 1 : 3 , 1 : 3 , 1 , 2 , i ) = math_tensorproduct33 ( math_crossproduct ( snU , sdU ) , snU )
sns ( 1 : 3 , 1 : 3 , 2 , 2 , i ) = math_tensorproduct33 ( math_crossproduct ( snU , - sdU ) , snU )
sns ( 1 : 3 , 1 : 3 , 1 , 3 , i ) = math_tensorproduct33 ( math_crossproduct ( np , sdU ) , np )
sns ( 1 : 3 , 1 : 3 , 2 , 3 , i ) = math_tensorproduct33 ( math_crossproduct ( nn , - sdU ) , nn )
sns ( 1 : 3 , 1 : 3 , 1 , 4 , i ) = math_tensorproduct33 ( snU , snU )
sns ( 1 : 3 , 1 : 3 , 2 , 4 , i ) = math_tensorproduct33 ( snU , snU )
sns ( 1 : 3 , 1 : 3 , 1 , 5 , i ) = math_tensorproduct33 ( math_crossproduct ( snU , sdU ) , math_crossproduct ( snU , sdU ) )
sns ( 1 : 3 , 1 : 3 , 2 , 5 , i ) = math_tensorproduct33 ( math_crossproduct ( snU , - sdU ) , math_crossproduct ( snU , - sdU ) )
sns ( 1 : 3 , 1 : 3 , 1 , 6 , i ) = math_tensorproduct33 ( sdU , sdU )
sns ( 1 : 3 , 1 : 3 , 2 , 6 , i ) = math_tensorproduct33 ( - sdU , - sdU )
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enddo
do i = 1_pInt , myNtwin ! assign twin system vectors and shears
td ( 1 : 3 , i ) = lattice_bcc_systemTwin ( 1 : 3 , i )
tn ( 1 : 3 , i ) = lattice_bcc_systemTwin ( 4 : 6 , i )
ts ( i ) = lattice_bcc_shearTwin ( i )
enddo
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do i = 1_pInt , myNcleavage ! assign cleavage system vectors
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cd ( 1 : 3 , i ) = lattice_bcc_systemCleavage ( 1 : 3 , i ) / norm2 ( lattice_bcc_systemCleavage ( 1 : 3 , i ) )
cn ( 1 : 3 , i ) = lattice_bcc_systemCleavage ( 4 : 6 , i ) / norm2 ( lattice_bcc_systemCleavage ( 4 : 6 , i ) )
ct ( 1 : 3 , i ) = math_crossproduct ( cd ( 1 : 3 , i ) , cn ( 1 : 3 , i ) )
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enddo
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lattice_NslipSystem ( 1 : lattice_maxNslipFamily , myPhase ) = lattice_bcc_NslipSystem
lattice_NtwinSystem ( 1 : lattice_maxNtwinFamily , myPhase ) = lattice_bcc_NtwinSystem
lattice_NtransSystem ( 1 : lattice_maxNtransFamily , myPhase ) = lattice_bcc_NtransSystem
lattice_NcleavageSystem ( 1 : lattice_maxNcleavageFamily , myPhase ) = lattice_bcc_NcleavageSystem
lattice_NnonSchmid ( myPhase ) = lattice_bcc_NnonSchmid
lattice_interactionSlipSlip ( 1 : myNslip , 1 : myNslip , myPhase ) = lattice_bcc_interactionSlipSlip
lattice_interactionSlipTwin ( 1 : myNslip , 1 : myNtwin , myPhase ) = lattice_bcc_interactionSlipTwin
lattice_interactionTwinSlip ( 1 : myNtwin , 1 : myNslip , myPhase ) = lattice_bcc_interactionTwinSlip
lattice_interactionTwinTwin ( 1 : myNtwin , 1 : myNtwin , myPhase ) = lattice_bcc_interactionTwinTwin
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!--------------------------------------------------------------------------------------------------
! hex (including conversion from miller-bravais (a1=a2=a3=c) to miller (a, b, c) indices)
case ( LATTICE_hex_ID )
myNslip = lattice_hex_Nslip
myNtwin = lattice_hex_Ntwin
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myNtrans = lattice_hex_Ntrans
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myNcleavage = lattice_hex_Ncleavage
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do i = 1_pInt , myNslip ! assign slip system vectors
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sd ( 1 , i ) = lattice_hex_systemSlip ( 1 , i ) * 1.5_pReal ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)]
sd ( 2 , i ) = ( lattice_hex_systemSlip ( 1 , i ) + 2.0_pReal * lattice_hex_systemSlip ( 2 , i ) ) * &
0.5_pReal * sqrt ( 3.0_pReal )
sd ( 3 , i ) = lattice_hex_systemSlip ( 4 , i ) * CoverA
sn ( 1 , i ) = lattice_hex_systemSlip ( 5 , i ) ! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a))
sn ( 2 , i ) = ( lattice_hex_systemSlip ( 5 , i ) + 2.0_pReal * lattice_hex_systemSlip ( 6 , i ) ) / sqrt ( 3.0_pReal )
sn ( 3 , i ) = lattice_hex_systemSlip ( 8 , i ) / CoverA
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enddo
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do i = 1_pInt , myNtwin ! assign twin system vectors and shears
td ( 1 , i ) = lattice_hex_systemTwin ( 1 , i ) * 1.5_pReal
td ( 2 , i ) = ( lattice_hex_systemTwin ( 1 , i ) + 2.0_pReal * lattice_hex_systemTwin ( 2 , i ) ) * &
0.5_pReal * sqrt ( 3.0_pReal )
td ( 3 , i ) = lattice_hex_systemTwin ( 4 , i ) * CoverA
tn ( 1 , i ) = lattice_hex_systemTwin ( 5 , i )
tn ( 2 , i ) = ( lattice_hex_systemTwin ( 5 , i ) + 2.0_pReal * lattice_hex_systemTwin ( 6 , i ) ) / sqrt ( 3.0_pReal )
tn ( 3 , i ) = lattice_hex_systemTwin ( 8 , i ) / CoverA
select case ( lattice_hex_shearTwin ( i ) ) ! from Christian & Mahajan 1995 p.29
case ( 1_pInt ) ! <-10.1>{10.2}
ts ( i ) = ( 3.0_pReal - CoverA * CoverA ) / sqrt ( 3.0_pReal ) / CoverA
case ( 2_pInt ) ! <11.6>{-1-1.1}
ts ( i ) = 1.0_pReal / CoverA
case ( 3_pInt ) ! <10.-2>{10.1}
ts ( i ) = ( 4.0_pReal * CoverA * CoverA - 9.0_pReal ) / 4.0_pReal / sqrt ( 3.0_pReal ) / CoverA
case ( 4_pInt ) ! <11.-3>{11.2}
ts ( i ) = 2.0_pReal * ( CoverA * CoverA - 2.0_pReal ) / 3.0_pReal / CoverA
end select
enddo
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do i = 1_pInt , myNcleavage ! cleavage system vectors
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cd ( 1 , i ) = lattice_hex_systemCleavage ( 1 , i ) * 1.5_pReal ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)]
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cd ( 2 , i ) = ( lattice_hex_systemCleavage ( 1 , i ) + 2.0_pReal * lattice_hex_systemCleavage ( 2 , i ) ) * &
0.5_pReal * sqrt ( 3.0_pReal )
cd ( 3 , i ) = lattice_hex_systemCleavage ( 4 , i ) * CoverA
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cd ( 1 : 3 , 1 ) = cd ( 1 : 3 , i ) / norm2 ( cd ( 1 : 3 , i ) )
cn ( 1 , i ) = lattice_hex_systemCleavage ( 5 , i ) ! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a))
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cn ( 2 , i ) = ( lattice_hex_systemCleavage ( 5 , i ) + 2.0_pReal * lattice_hex_systemCleavage ( 6 , i ) ) / sqrt ( 3.0_pReal )
cn ( 3 , i ) = lattice_hex_systemCleavage ( 8 , i ) / CoverA
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cn ( 1 : 3 , 1 ) = cn ( 1 : 3 , i ) / norm2 ( cn ( 1 : 3 , i ) )
ct ( 1 : 3 , i ) = math_crossproduct ( cd ( 1 : 3 , i ) , cn ( 1 : 3 , i ) )
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enddo
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lattice_NslipSystem ( 1 : lattice_maxNslipFamily , myPhase ) = lattice_hex_NslipSystem
lattice_NtwinSystem ( 1 : lattice_maxNtwinFamily , myPhase ) = lattice_hex_NtwinSystem
lattice_NtransSystem ( 1 : lattice_maxNtransFamily , myPhase ) = lattice_hex_NtransSystem
lattice_NcleavageSystem ( 1 : lattice_maxNcleavageFamily , myPhase ) = lattice_hex_NcleavageSystem
lattice_NnonSchmid ( myPhase ) = lattice_hex_NnonSchmid
lattice_interactionSlipSlip ( 1 : myNslip , 1 : myNslip , myPhase ) = lattice_hex_interactionSlipSlip
lattice_interactionSlipTwin ( 1 : myNslip , 1 : myNtwin , myPhase ) = lattice_hex_interactionSlipTwin
lattice_interactionTwinSlip ( 1 : myNtwin , 1 : myNslip , myPhase ) = lattice_hex_interactionTwinSlip
lattice_interactionTwinTwin ( 1 : myNtwin , 1 : myNtwin , myPhase ) = lattice_hex_interactionTwinTwin
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!--------------------------------------------------------------------------------------------------
! bct
case ( LATTICE_bct_ID )
myNslip = lattice_bct_Nslip
myNtwin = lattice_bct_Ntwin
myNcleavage = lattice_bct_Ncleavage
do i = 1_pInt , myNslip ! assign slip system vectors
sd ( 1 : 2 , i ) = lattice_bct_systemSlip ( 1 : 2 , i )
sd ( 3 , i ) = lattice_bct_systemSlip ( 3 , i ) * CoverA
sn ( 1 : 2 , i ) = lattice_bct_systemSlip ( 4 : 5 , i )
sn ( 3 , i ) = lattice_bct_systemSlip ( 6 , i ) / CoverA
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sdU = sd ( 1 : 3 , i ) / norm2 ( sd ( 1 : 3 , i ) )
snU = sn ( 1 : 3 , i ) / norm2 ( sn ( 1 : 3 , i ) )
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enddo
lattice_NslipSystem ( 1 : lattice_maxNslipFamily , myPhase ) = lattice_bct_NslipSystem
lattice_NtwinSystem ( 1 : lattice_maxNtwinFamily , myPhase ) = lattice_bct_NtwinSystem
lattice_NtransSystem ( 1 : lattice_maxNtransFamily , myPhase ) = lattice_bct_NtransSystem
lattice_NcleavageSystem ( 1 : lattice_maxNcleavageFamily , myPhase ) = lattice_bct_NcleavageSystem
lattice_NnonSchmid ( myPhase ) = lattice_bct_NnonSchmid
lattice_interactionSlipSlip ( 1 : myNslip , 1 : myNslip , myPhase ) = lattice_bct_interactionSlipSlip
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!--------------------------------------------------------------------------------------------------
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! orthorhombic (no crystal plasticity)
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case ( LATTICE_ort_ID )
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myNslip = 0_pInt
myNtwin = 0_pInt
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myNtrans = 0_pInt
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myNcleavage = lattice_ortho_Ncleavage
do i = 1_pInt , myNcleavage ! assign cleavage system vectors
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cd ( 1 : 3 , i ) = lattice_iso_systemCleavage ( 1 : 3 , i ) / norm2 ( LATTICE_ortho_systemCleavage ( 1 : 3 , i ) )
cn ( 1 : 3 , i ) = lattice_iso_systemCleavage ( 4 : 6 , i ) / norm2 ( LATTICE_ortho_systemCleavage ( 4 : 6 , i ) )
ct ( 1 : 3 , i ) = math_crossproduct ( cd ( 1 : 3 , i ) , cn ( 1 : 3 , i ) )
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enddo
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lattice_NcleavageSystem ( 1 : lattice_maxNcleavageFamily , myPhase ) = lattice_iso_NcleavageSystem
!--------------------------------------------------------------------------------------------------
! isotropic (no crystal plasticity)
case ( LATTICE_iso_ID )
myNslip = 0_pInt
myNtwin = 0_pInt
myNtrans = 0_pInt
myNcleavage = lattice_iso_Ncleavage
do i = 1_pInt , myNcleavage ! assign cleavage system vectors
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cd ( 1 : 3 , i ) = lattice_iso_systemCleavage ( 1 : 3 , i ) / norm2 ( lattice_iso_systemCleavage ( 1 : 3 , i ) )
cn ( 1 : 3 , i ) = lattice_iso_systemCleavage ( 4 : 6 , i ) / norm2 ( lattice_iso_systemCleavage ( 4 : 6 , i ) )
ct ( 1 : 3 , i ) = math_crossproduct ( cd ( 1 : 3 , i ) , cn ( 1 : 3 , i ) )
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enddo
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lattice_NcleavageSystem ( 1 : lattice_maxNcleavageFamily , myPhase ) = lattice_iso_NcleavageSystem
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!--------------------------------------------------------------------------------------------------
! something went wrong
case default
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call IO_error ( 130_pInt , ext_msg = 'lattice_initializeStructure' )
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end select
do i = 1_pInt , myNslip ! store slip system vectors and Schmid matrix for my structure
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lattice_sd ( 1 : 3 , i , myPhase ) = sd ( 1 : 3 , i ) / norm2 ( sd ( 1 : 3 , i ) ) ! make unit vector
lattice_sn ( 1 : 3 , i , myPhase ) = sn ( 1 : 3 , i ) / norm2 ( sn ( 1 : 3 , i ) ) ! make unit vector
lattice_st ( 1 : 3 , i , myPhase ) = math_crossproduct ( lattice_sd ( 1 : 3 , i , myPhase ) , &
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lattice_sn ( 1 : 3 , i , myPhase ) )
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lattice_Sslip ( 1 : 3 , 1 : 3 , 1 , i , myPhase ) = math_tensorproduct33 ( lattice_sd ( 1 : 3 , i , myPhase ) , &
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lattice_sn ( 1 : 3 , i , myPhase ) ) ! calculate Schmid matrix d \otimes n
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do j = 1_pInt , lattice_NnonSchmid ( myPhase )
lattice_Sslip ( 1 : 3 , 1 : 3 , 2 * j , i , myPhase ) = sns ( 1 : 3 , 1 : 3 , 1 , j , i )
lattice_Sslip ( 1 : 3 , 1 : 3 , 2 * j + 1 , i , myPhase ) = sns ( 1 : 3 , 1 : 3 , 2 , j , i )
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enddo
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do j = 1_pInt , 1_pInt + 2_pInt * lattice_NnonSchmid ( myPhase )
lattice_Sslip_v ( 1 : 6 , j , i , myPhase ) = &
math_Mandel33to6 ( math_symmetric33 ( lattice_Sslip ( 1 : 3 , 1 : 3 , j , i , myPhase ) ) )
enddo
if ( abs ( math_trace33 ( lattice_Sslip ( 1 : 3 , 1 : 3 , 1 , i , myPhase ) ) ) > tol_math_check ) &
call IO_error ( 0_pInt , myPhase , i , 0_pInt , ext_msg = 'dilatational slip Schmid matrix' )
enddo
do i = 1_pInt , myNtwin ! store twin system vectors and Schmid plus rotation matrix for my structure
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lattice_td ( 1 : 3 , i , myPhase ) = td ( 1 : 3 , i ) / norm2 ( td ( 1 : 3 , i ) ) ! make unit vector
lattice_tn ( 1 : 3 , i , myPhase ) = tn ( 1 : 3 , i ) / norm2 ( tn ( 1 : 3 , i ) ) ! make unit vector
lattice_tt ( 1 : 3 , i , myPhase ) = math_crossproduct ( lattice_td ( 1 : 3 , i , myPhase ) , &
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lattice_tn ( 1 : 3 , i , myPhase ) )
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lattice_Stwin ( 1 : 3 , 1 : 3 , i , myPhase ) = math_tensorproduct33 ( lattice_td ( 1 : 3 , i , myPhase ) , &
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lattice_tn ( 1 : 3 , i , myPhase ) )
lattice_Stwin_v ( 1 : 6 , i , myPhase ) = math_Mandel33to6 ( math_symmetric33 ( lattice_Stwin ( 1 : 3 , 1 : 3 , i , myPhase ) ) )
lattice_Qtwin ( 1 : 3 , 1 : 3 , i , myPhase ) = math_axisAngleToR ( tn ( 1 : 3 , i ) , 18 0.0_pReal * INRAD )
lattice_shearTwin ( i , myPhase ) = ts ( i )
if ( abs ( math_trace33 ( lattice_Stwin ( 1 : 3 , 1 : 3 , i , myPhase ) ) ) > tol_math_check ) &
call IO_error ( 301_pInt , myPhase , ext_msg = 'dilatational twin Schmid matrix' )
enddo
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do i = 1_pInt , myNtrans
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lattice_Qtrans ( 1 : 3 , 1 : 3 , i , myPhase ) = Qtr ( 1 : 3 , 1 : 3 , i )
lattice_Strans ( 1 : 3 , 1 : 3 , i , myPhase ) = Str ( 1 : 3 , 1 : 3 , i )
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lattice_Strans_v ( 1 : 6 , i , myPhase ) = math_Mandel33to6 ( math_symmetric33 ( lattice_Strans ( 1 : 3 , 1 : 3 , i , myPhase ) ) )
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lattice_shearTrans ( i , myPhase ) = trs ( i )
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enddo
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do i = 1_pInt , myNcleavage ! store slip system vectors and Schmid matrix for my structure
lattice_Scleavage ( 1 : 3 , 1 : 3 , 1 , i , myPhase ) = math_tensorproduct33 ( cd ( 1 : 3 , i ) , cn ( 1 : 3 , i ) )
lattice_Scleavage ( 1 : 3 , 1 : 3 , 2 , i , myPhase ) = math_tensorproduct33 ( ct ( 1 : 3 , i ) , cn ( 1 : 3 , i ) )
lattice_Scleavage ( 1 : 3 , 1 : 3 , 3 , i , myPhase ) = math_tensorproduct33 ( cn ( 1 : 3 , i ) , cn ( 1 : 3 , i ) )
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do j = 1_pInt , 3_pInt
lattice_Scleavage_v ( 1 : 6 , j , i , myPhase ) = &
math_Mandel33to6 ( math_symmetric33 ( lattice_Scleavage ( 1 : 3 , 1 : 3 , j , i , myPhase ) ) )
enddo
enddo
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end subroutine lattice_initializeStructure
!--------------------------------------------------------------------------------------------------
!> @brief Symmetrizes stiffness matrix according to lattice type
!--------------------------------------------------------------------------------------------------
pure function lattice_symmetrizeC66 ( struct , C66 )
implicit none
integer ( kind ( LATTICE_undefined_ID ) ) , intent ( in ) :: struct
real ( pReal ) , dimension ( 6 , 6 ) , intent ( in ) :: C66
real ( pReal ) , dimension ( 6 , 6 ) :: lattice_symmetrizeC66
integer ( pInt ) :: j , k
lattice_symmetrizeC66 = 0.0_pReal
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select case ( struct )
case ( LATTICE_iso_ID )
forall ( k = 1_pInt : 3_pInt )
forall ( j = 1_pInt : 3_pInt ) lattice_symmetrizeC66 ( k , j ) = C66 ( 1 , 2 )
lattice_symmetrizeC66 ( k , k ) = C66 ( 1 , 1 )
lattice_symmetrizeC66 ( k + 3 , k + 3 ) = 0.5_pReal * ( C66 ( 1 , 1 ) - C66 ( 1 , 2 ) )
end forall
case ( LATTICE_fcc_ID , LATTICE_bcc_ID )
forall ( k = 1_pInt : 3_pInt )
forall ( j = 1_pInt : 3_pInt ) lattice_symmetrizeC66 ( k , j ) = C66 ( 1 , 2 )
lattice_symmetrizeC66 ( k , k ) = C66 ( 1 , 1 )
lattice_symmetrizeC66 ( k + 3_pInt , k + 3_pInt ) = C66 ( 4 , 4 )
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end forall
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case ( LATTICE_hex_ID )
lattice_symmetrizeC66 ( 1 , 1 ) = C66 ( 1 , 1 )
lattice_symmetrizeC66 ( 2 , 2 ) = C66 ( 1 , 1 )
lattice_symmetrizeC66 ( 3 , 3 ) = C66 ( 3 , 3 )
lattice_symmetrizeC66 ( 1 , 2 ) = C66 ( 1 , 2 )
lattice_symmetrizeC66 ( 2 , 1 ) = C66 ( 1 , 2 )
lattice_symmetrizeC66 ( 1 , 3 ) = C66 ( 1 , 3 )
lattice_symmetrizeC66 ( 3 , 1 ) = C66 ( 1 , 3 )
lattice_symmetrizeC66 ( 2 , 3 ) = C66 ( 1 , 3 )
lattice_symmetrizeC66 ( 3 , 2 ) = C66 ( 1 , 3 )
lattice_symmetrizeC66 ( 4 , 4 ) = C66 ( 4 , 4 )
lattice_symmetrizeC66 ( 5 , 5 ) = C66 ( 4 , 4 )
lattice_symmetrizeC66 ( 6 , 6 ) = 0.5_pReal * ( C66 ( 1 , 1 ) - C66 ( 1 , 2 ) )
case ( LATTICE_ort_ID )
lattice_symmetrizeC66 ( 1 , 1 ) = C66 ( 1 , 1 )
lattice_symmetrizeC66 ( 2 , 2 ) = C66 ( 2 , 2 )
lattice_symmetrizeC66 ( 3 , 3 ) = C66 ( 3 , 3 )
lattice_symmetrizeC66 ( 1 , 2 ) = C66 ( 1 , 2 )
lattice_symmetrizeC66 ( 2 , 1 ) = C66 ( 1 , 2 )
lattice_symmetrizeC66 ( 1 , 3 ) = C66 ( 1 , 3 )
lattice_symmetrizeC66 ( 3 , 1 ) = C66 ( 1 , 3 )
lattice_symmetrizeC66 ( 2 , 3 ) = C66 ( 2 , 3 )
lattice_symmetrizeC66 ( 3 , 2 ) = C66 ( 2 , 3 )
lattice_symmetrizeC66 ( 4 , 4 ) = C66 ( 4 , 4 )
lattice_symmetrizeC66 ( 5 , 5 ) = C66 ( 5 , 5 )
lattice_symmetrizeC66 ( 6 , 6 ) = C66 ( 6 , 6 )
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case ( LATTICE_bct_ID )
lattice_symmetrizeC66 ( 1 , 1 ) = C66 ( 1 , 1 )
lattice_symmetrizeC66 ( 2 , 2 ) = C66 ( 1 , 1 )
lattice_symmetrizeC66 ( 3 , 3 ) = C66 ( 3 , 3 )
lattice_symmetrizeC66 ( 1 , 2 ) = C66 ( 1 , 2 )
lattice_symmetrizeC66 ( 2 , 1 ) = C66 ( 1 , 2 )
lattice_symmetrizeC66 ( 1 , 3 ) = C66 ( 1 , 3 )
lattice_symmetrizeC66 ( 3 , 1 ) = C66 ( 1 , 3 )
lattice_symmetrizeC66 ( 2 , 3 ) = C66 ( 1 , 3 )
lattice_symmetrizeC66 ( 3 , 2 ) = C66 ( 1 , 3 )
lattice_symmetrizeC66 ( 4 , 4 ) = C66 ( 4 , 4 )
lattice_symmetrizeC66 ( 5 , 5 ) = C66 ( 4 , 4 )
lattice_symmetrizeC66 ( 6 , 6 ) = C66 ( 6 , 6 ) !J. A. Rayne and B. S. Chandrasekhar Phys. Rev. 120, 1658 Erratum Phys. Rev. 122, 1962
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case default
lattice_symmetrizeC66 = C66
end select
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end function lattice_symmetrizeC66
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!--------------------------------------------------------------------------------------------------
!> @brief Symmetrizes 2nd order tensor according to lattice type
!--------------------------------------------------------------------------------------------------
pure function lattice_symmetrize33 ( struct , T33 )
implicit none
integer ( kind ( LATTICE_undefined_ID ) ) , intent ( in ) :: struct
real ( pReal ) , dimension ( 3 , 3 ) , intent ( in ) :: T33
real ( pReal ) , dimension ( 3 , 3 ) :: lattice_symmetrize33
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integer ( pInt ) :: k
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lattice_symmetrize33 = 0.0_pReal
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select case ( struct )
case ( LATTICE_iso_ID , LATTICE_fcc_ID , LATTICE_bcc_ID )
forall ( k = 1_pInt : 3_pInt ) lattice_symmetrize33 ( k , k ) = T33 ( 1 , 1 )
case ( LATTICE_hex_ID )
lattice_symmetrize33 ( 1 , 1 ) = T33 ( 1 , 1 )
lattice_symmetrize33 ( 2 , 2 ) = T33 ( 1 , 1 )
lattice_symmetrize33 ( 3 , 3 ) = T33 ( 3 , 3 )
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case ( LATTICE_ort_ID , lattice_bct_ID )
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lattice_symmetrize33 ( 1 , 1 ) = T33 ( 1 , 1 )
lattice_symmetrize33 ( 2 , 2 ) = T33 ( 2 , 2 )
lattice_symmetrize33 ( 3 , 3 ) = T33 ( 3 , 3 )
case default
lattice_symmetrize33 = T33
end select
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end function lattice_symmetrize33
!--------------------------------------------------------------------------------------------------
!> @brief figures whether unit quat falls into stereographic standard triangle
!--------------------------------------------------------------------------------------------------
logical pure function lattice_qInSST ( Q , struct )
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use , intrinsic :: &
IEEE_arithmetic
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use math , only : &
math_qToRodrig
implicit none
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real ( pReal ) , dimension ( 4 ) , intent ( in ) :: Q ! orientation
integer ( kind ( LATTICE_undefined_ID ) ) , intent ( in ) :: struct ! lattice structure
real ( pReal ) , dimension ( 3 ) :: Rodrig ! Rodrigues vector of Q
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Rodrig = math_qToRodrig ( Q )
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if ( any ( IEEE_is_NaN ( Rodrig ) ) ) then
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lattice_qInSST = . false .
else
select case ( struct )
case ( LATTICE_bcc_ID , LATTICE_fcc_ID )
lattice_qInSST = Rodrig ( 1 ) > Rodrig ( 2 ) . and . &
Rodrig ( 2 ) > Rodrig ( 3 ) . and . &
Rodrig ( 3 ) > 0.0_pReal
case ( LATTICE_hex_ID )
lattice_qInSST = Rodrig ( 1 ) > sqrt ( 3.0_pReal ) * Rodrig ( 2 ) . and . &
Rodrig ( 2 ) > 0.0_pReal . and . &
Rodrig ( 3 ) > 0.0_pReal
case default
lattice_qInSST = . true .
end select
endif
end function lattice_qInSST
!--------------------------------------------------------------------------------------------------
!> @brief calculates the disorientation for 2 unit quaternions
!--------------------------------------------------------------------------------------------------
pure function lattice_qDisorientation ( Q1 , Q2 , struct )
use prec , only : &
tol_math_check
use math , only : &
math_qMul , &
math_qConj
implicit none
real ( pReal ) , dimension ( 4 ) :: lattice_qDisorientation
real ( pReal ) , dimension ( 4 ) , intent ( in ) :: &
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Q1 , & ! 1st orientation
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Q2 ! 2nd orientation
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integer ( kind ( LATTICE_undefined_ID ) ) , optional , intent ( in ) :: & ! if given, symmetries between the two orientation will be considered
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struct
real ( pReal ) , dimension ( 4 ) :: dQ , dQsymA , mis
integer ( pInt ) :: i , j , k , s , symmetry
integer ( kind ( LATTICE_undefined_ID ) ) :: myStruct
!--------------------------------------------------------------------------------------------------
! check if a structure with known symmetries is given
if ( present ( struct ) ) then
myStruct = struct
select case ( struct )
case ( LATTICE_fcc_ID , LATTICE_bcc_ID )
symmetry = 1_pInt
case ( LATTICE_hex_ID )
symmetry = 2_pInt
case default
symmetry = 0_pInt
end select
else
symmetry = 0_pInt
myStruct = LATTICE_undefined_ID
endif
!--------------------------------------------------------------------------------------------------
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! calculate misorientation, for cubic and hexagonal structure find symmetries
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dQ = math_qMul ( math_qConj ( Q1 ) , Q2 )
lattice_qDisorientation = dQ
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select case ( symmetry )
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case ( 1_pInt , 2_pInt )
s = sum ( lattice_NsymOperations ( 1 : symmetry - 1_pInt ) )
do i = 1_pInt , 2_pInt
dQ = math_qConj ( dQ ) ! switch order of "from -- to"
do j = 1_pInt , lattice_NsymOperations ( symmetry ) ! run through first crystal's symmetries
dQsymA = math_qMul ( lattice_symOperations ( 1 : 4 , s + j ) , dQ ) ! apply sym
do k = 1_pInt , lattice_NsymOperations ( symmetry ) ! run through 2nd crystal's symmetries
mis = math_qMul ( dQsymA , lattice_symOperations ( 1 : 4 , s + k ) ) ! apply sym
if ( mis ( 1 ) < 0.0_pReal ) & ! want positive angle
mis = - mis
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if ( mis ( 1 ) - lattice_qDisorientation ( 1 ) > - tol_math_check &
. and . lattice_qInSST ( mis , LATTICE_undefined_ID ) ) lattice_qDisorientation = mis ! found better one
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enddo ; enddo ; enddo
case ( 0_pInt )
if ( lattice_qDisorientation ( 1 ) < 0.0_pReal ) lattice_qDisorientation = - lattice_qDisorientation ! keep omega within 0 to 180 deg
end select
end function lattice_qDisorientation
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!function lattice_nonSchmidMatrix
! coordinateSystem = buildCoordinateSystem(Nslip,int(LATTICE_BCC_SYSTEMSLIP,pInt),structure)
!
! do i = 1_pInt,myNslip ! assign slip system vectors
! direction = coordinateSystem(1:3,1,i)
! normal = coordinateSystem(1:3,1,i)
! ! "np" and "nn" according to Gröger_etal2008, Acta Materialia 56 (2008) 5412– 5425, table 1 (corresponds to their "n1" for positive and negative slip direction respectively)
! np = math_mul33x3(math_axisAngleToR(sdU,+60.0_pReal*INRAD), normal)
! ! Schmid matrices with non-Schmid contributions according to Koester_etal2012, Acta Materialia 60 (2012) 3894– 3901, eq. (17) ("n1" is replaced by either "np" or "nn" according to either positive or negative slip direction)
! nonSchmidMatrix_pos(1:3,1:3,1,i) = math_tensorproduct33(direction, np)
! nonSchmidMatrix_pos(1:3,1:3,2,i) = math_tensorproduct33(math_crossproduct(normal, direction), normal)
! nonSchmidMatrix_pos(1:3,1:3,3,i) = math_tensorproduct33(math_crossproduct(np, direction), np)
! nonSchmidMatrix_pos(1:3,1:3,4,i) = math_tensorproduct33(normal, normal)
! nonSchmidMatrix_pos(1:3,1:3,5,i) = math_tensorproduct33(math_crossproduct(normal, direction), math_crossproduct(normal, direction))
! nonSchmidMatrix_pos(1:3,1:3,6,i) = math_tensorproduct33(direction, direction)
!
! nn = math_mul33x3(math_axisAngleToR(-sdU,60.0_pReal*INRAD), normal)
! sns(1:3,1:3,2,1,i) = math_tensorproduct33(-sdU, nn)
! sns(1:3,1:3,2,2,i) = math_tensorproduct33(math_crossproduct(snU, -sdU), snU)
! sns(1:3,1:3,2,3,i) = math_tensorproduct33(math_crossproduct(nn, -sdU), nn)
! sns(1:3,1:3,2,4,i) = math_tensorproduct33(snU, snU)
! sns(1:3,1:3,2,5,i) = math_tensorproduct33(math_crossproduct(snU, -sdU), math_crossproduct(snU, -sdU))
! sns(1:3,1:3,2,6,i) = math_tensorproduct33(-sdU, -sdU)
! enddo
!end function lattice_nonSchmidMatrix
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!--------------------------------------------------------------------------------------------------
!> @brief Populates reduced slip-slip interaction matrix
!> ToDo: prefix "2" needed as long as deprecated array lattice_interactionSlipSlip exists
!--------------------------------------------------------------------------------------------------
function lattice_interactionSlipSlip2 ( Nslip , interactionValues , structure )
use IO , only : &
IO_error
implicit none
integer ( pInt ) , dimension ( : ) , intent ( in ) :: Nslip !< number of active slip systems per family
real ( pReal ) , dimension ( : ) , intent ( in ) :: interactionValues !< interaction values slip-slip
character ( len = * ) , intent ( in ) :: structure !< lattice structure
real ( pReal ) , dimension ( sum ( Nslip ) , sum ( Nslip ) ) :: lattice_interactionSlipSlip2
integer ( pInt ) , dimension ( : ) , allocatable :: NslipMax
integer ( pInt ) , dimension ( : , : ) , allocatable :: interactionSlipSlip
select case ( structure )
case ( 'fcc' )
interactionSlipSlip = lattice_fcc_interactionSlipSlip
NslipMax = lattice_fcc_Nslip
case ( 'bcc' )
interactionSlipSlip = lattice_bcc_interactionSlipSlip
NslipMax = lattice_bcc_Nslip
case ( 'hex' , 'hexagonal' ) !ToDo: "No alias policy": long or short?
interactionSlipSlip = lattice_hex_interactionTwinTwin
NslipMax = lattice_hex_Nslip
case ( 'bct' )
interactionSlipSlip = lattice_bct_interactionSlipSlip
NslipMax = lattice_bct_Nslip
case default
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call IO_error ( 132_pInt , ext_msg = trim ( structure ) / / ' (slip slip interaction)' )
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end select
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if ( any ( Nslip ( 1 : size ( Nslip ) ) - Nslip < 0_pInt ) ) &
call IO_error ( 145_pInt , ext_msg = 'Ntrans ' / / trim ( structure ) )
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lattice_interactionSlipSlip2 = &
buildInteraction ( Nslip , Nslip , NslipMax , NslipMax , interactionValues , interactionSlipSlip )
end function lattice_interactionSlipSlip2
!--------------------------------------------------------------------------------------------------
!> @brief Populates reduced twin-twin interaction matrix
!> ToDo: prefix "2" needed as long as deprecated array lattice_interactionTwinTwin exists
!--------------------------------------------------------------------------------------------------
function lattice_interactionTwinTwin2 ( Ntwin , interactionValues , structure )
use IO , only : &
IO_error
implicit none
integer ( pInt ) , dimension ( : ) , intent ( in ) :: Ntwin !< number of active twin systems per family
real ( pReal ) , dimension ( : ) , intent ( in ) :: interactionValues !< interaction values twin-twin
character ( len = * ) , intent ( in ) :: structure !< lattice structure
real ( pReal ) , dimension ( sum ( Ntwin ) , sum ( Ntwin ) ) :: lattice_interactionTwinTwin2
integer ( pInt ) , dimension ( : ) , allocatable :: NtwinMax
integer ( pInt ) , dimension ( : , : ) , allocatable :: interactionTwinTwin
select case ( structure )
case ( 'fcc' )
interactionTwinTwin = lattice_fcc_interactionTwinTwin
NtwinMax = lattice_fcc_Ntwin
case ( 'bcc' )
interactionTwinTwin = lattice_bcc_interactionTwinTwin
NtwinMax = lattice_bcc_Ntwin
case ( 'hex' , 'hexagonal' ) !ToDo: "No alias policy": long or short?
interactionTwinTwin = lattice_hex_interactionTwinTwin
NtwinMax = lattice_hex_Ntwin
case default
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call IO_error ( 132_pInt , ext_msg = trim ( structure ) / / ' (twin twin interaction)' )
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end select
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if ( any ( Ntwin ( 1 : size ( Ntwin ) ) - Ntwin < 0_pInt ) ) &
call IO_error ( 145_pInt , ext_msg = 'Ntrans ' / / trim ( structure ) )
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lattice_interactionTwinTwin2 = &
buildInteraction ( Ntwin , Ntwin , NtwinMax , NtwinMax , interactionValues , interactionTwinTwin )
end function lattice_interactionTwinTwin2
!--------------------------------------------------------------------------------------------------
!> @brief Populates reduced trans-trans interaction matrix
!> ToDo: prefix "2" needed as long as deprecated array lattice_interactionTransTrans exists
!--------------------------------------------------------------------------------------------------
function lattice_interactionTransTrans2 ( Ntrans , interactionValues , structure , targetStructure )
use IO , only : &
IO_error
implicit none
integer ( pInt ) , dimension ( : ) , intent ( in ) :: Ntrans !< number of active twin systems per family
real ( pReal ) , dimension ( : ) , intent ( in ) :: interactionValues !< interaction values twin-twin
character ( len = * ) , intent ( in ) :: &
structure , & !< lattice structure of parent crystal
targetStructure !< lattice structure of transformed crystal
real ( pReal ) , dimension ( sum ( Ntrans ) , sum ( Ntrans ) ) :: lattice_interactionTransTrans2
integer ( pInt ) , dimension ( : ) , allocatable :: NtransMax
integer ( pInt ) , dimension ( : , : ) , allocatable :: interactionTransTrans
if ( trim ( structure ) == 'fcc' . and . trim ( targetStructure ) == 'hex' ) then
interactionTransTrans = lattice_fccToHex_interactionTransTrans
NtransMax = lattice_fcc_Ntrans
else
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call IO_error ( 132_pInt , ext_msg = trim ( structure ) / / ' => ' / / trim ( targetStructure ) )
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end if
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if ( any ( Ntrans ( 1 : size ( Ntrans ) ) - Ntrans < 0_pInt ) ) &
call IO_error ( 145_pInt , ext_msg = 'Ntrans ' / / trim ( structure ) )
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lattice_interactionTransTrans2 = &
buildInteraction ( Ntrans , Ntrans , NtransMax , NtransMax , interactionValues , interactionTransTrans )
end function lattice_interactionTransTrans2
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!--------------------------------------------------------------------------------------------------
!> @brief Calculates Schmid matrix for active slip systems
!--------------------------------------------------------------------------------------------------
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function lattice_SchmidMatrix_slip ( Nslip , structure , cOverA )
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use IO , only : &
IO_error
use math , only : &
math_tensorproduct33
implicit none
integer ( pInt ) , dimension ( : ) , intent ( in ) :: Nslip !< number of active slip systems per family
character ( len = * ) , intent ( in ) :: structure !< lattice structure
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real ( pReal ) , dimension ( 3 , 3 , sum ( Nslip ) ) :: lattice_SchmidMatrix_slip
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real ( pReal ) , intent ( in ) , optional :: &
cOverA
real ( pReal ) , dimension ( 3 , 3 , sum ( Nslip ) ) :: coordinateSystem
integer ( pInt ) :: i
select case ( structure )
case ( 'fcc' )
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coordinateSystem = buildCoordinateSystem ( Nslip , int ( LATTICE_FCC_SYSTEMSLIP , pInt ) , structure )
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case ( 'bcc' )
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coordinateSystem = buildCoordinateSystem ( Nslip , int ( LATTICE_BCC_SYSTEMSLIP , pInt ) , structure )
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case ( 'hex' , 'hexagonal' ) !ToDo: "No alias policy": long or short?
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coordinateSystem = buildCoordinateSystem ( Nslip , int ( LATTICE_HEX_SYSTEMSLIP , pInt ) , 'hex' , cOverA )
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case ( 'bct' )
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coordinateSystem = buildCoordinateSystem ( Nslip , int ( LATTICE_BCT_SYSTEMSLIP , pInt ) , structure , cOverA )
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case default
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call IO_error ( 130_pInt , ext_msg = trim ( structure ) / / ' (lattice_SchmidMatrix_slip)' )
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end select
do i = 1 , sum ( Nslip )
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lattice_SchmidMatrix_slip ( 1 : 3 , 1 : 3 , i ) = &
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math_tensorproduct33 ( coordinateSystem ( 1 : 3 , 1 , i ) , coordinateSystem ( 1 : 3 , 2 , i ) )
enddo
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end function lattice_SchmidMatrix_slip
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!--------------------------------------------------------------------------------------------------
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!> @brief Calculates Schmid matrix for active twin systems
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!--------------------------------------------------------------------------------------------------
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function lattice_SchmidMatrix_twin ( Ntwin , structure , cOverA )
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use IO , only : &
IO_error
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use math , only : &
math_tensorproduct33
implicit none
integer ( pInt ) , dimension ( : ) , intent ( in ) :: Ntwin !< number of active twin systems per family
character ( len = * ) , intent ( in ) :: structure !< lattice structure
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real ( pReal ) , dimension ( 3 , 3 , sum ( Ntwin ) ) :: lattice_SchmidMatrix_Twin
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real ( pReal ) , intent ( in ) , optional :: &
cOverA
real ( pReal ) , dimension ( 3 , 3 , sum ( Ntwin ) ) :: coordinateSystem
integer ( pInt ) :: i
select case ( structure )
case ( 'fcc' )
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coordinateSystem = buildCoordinateSystem ( Ntwin , int ( LATTICE_FCC_SYSTEMTWIN , pInt ) , structure )
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case ( 'bcc' )
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coordinateSystem = buildCoordinateSystem ( Ntwin , int ( LATTICE_BCC_SYSTEMTWIN , pInt ) , structure )
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case ( 'hex' , 'hexagonal' ) !ToDo: "No alias policy": long or short?
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coordinateSystem = buildCoordinateSystem ( Ntwin , int ( LATTICE_HEX_SYSTEMTWIN , pInt ) , 'hex' , cOverA )
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case default
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call IO_error ( 130_pInt , ext_msg = trim ( structure ) / / ' (lattice_SchmidMatrix_twin)' )
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end select
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do i = 1 , sum ( Ntwin )
lattice_SchmidMatrix_twin ( 1 : 3 , 1 : 3 , i ) = &
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math_tensorproduct33 ( coordinateSystem ( 1 : 3 , 1 , i ) , coordinateSystem ( 1 : 3 , 2 , i ) )
enddo
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end function lattice_SchmidMatrix_twin
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!--------------------------------------------------------------------------------------------------
!> @brief Populates reduced interaction matrix
!--------------------------------------------------------------------------------------------------
pure function buildInteraction ( activeA , activeB , maxA , maxB , values , matrix )
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implicit none
integer ( pInt ) , dimension ( : ) , intent ( in ) :: &
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activeA , & !< number of active systems as specified in material.config
activeB , & !< number of active systems as specified in material.config
maxA , & !< number of maximum available systems
maxB !< number of maximum available systems
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real ( pReal ) , dimension ( : ) , intent ( in ) :: values !< interaction values
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integer ( pInt ) , dimension ( : , : ) , intent ( in ) :: matrix !< full interaction matrix
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real ( pReal ) , dimension ( sum ( activeA ) , sum ( activeB ) ) :: buildInteraction
integer ( pInt ) :: &
index_myFamily , index_otherFamily , &
mf , ms , of , os
myFamilies : do mf = 1_pInt , size ( activeA , 1 )
index_myFamily = sum ( activeA ( 1 : mf - 1_pInt ) )
mySystems : do ms = 1_pInt , activeA ( mf )
otherFamilies : do of = 1_pInt , size ( activeB , 1 )
index_otherFamily = sum ( activeB ( 1 : of - 1_pInt ) )
otherSystems : do os = 1_pInt , activeB ( of )
buildInteraction ( index_myFamily + ms , index_otherFamily + os ) = &
values ( matrix ( sum ( maxA ( 1 : mf - 1 ) ) + ms , sum ( maxB ( 1 : of - 1 ) ) + os ) )
enddo otherSystems ; enddo otherFamilies ;
enddo mySystems ; enddo myFamilies
end function buildInteraction
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!--------------------------------------------------------------------------------------------------
!> @brief build a local coordinate system in a slip, twin, trans, cleavage system
!--------------------------------------------------------------------------------------------------
pure function buildCoordinateSystem ( active , system , structure , cOverA )
use math , only : &
math_crossproduct
implicit none
integer ( pInt ) , dimension ( : ) , intent ( in ) :: &
active
integer ( pInt ) , dimension ( : , : ) , intent ( in ) :: &
system
character ( len = * ) , intent ( in ) :: &
structure !< lattice structure
real ( pReal ) , intent ( in ) , optional :: &
cOverA
real ( pReal ) , dimension ( 3 , 3 , sum ( active ) ) :: &
buildCoordinateSystem
real ( pReal ) , dimension ( 3 ) :: &
direction , normal
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integer ( pInt ) :: &
ir , & !< index in reduced matrix
ig , & !< index in full matrix
mf , & !< index of my family
ms !< index of my system in current family
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ir = 0_pInt
myFamilies : do mf = 1_pInt , size ( active , 1 )
mySystems : do ms = 1_pInt , active ( mf )
ir = ir + 1_pInt
ig = sum ( system ( : , 1 : mf - 1 ) ) + ms
select case ( trim ( structure ) )
case ( 'fcc' , 'bcc' )
direction = real ( system ( 1 : 3 , ig ) , pReal )
normal = real ( system ( 4 : 6 , ig ) , pReal )
case ( 'hex' )
! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)])
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direction = [ real ( system ( 1 , ig ) , pReal ) * 1.5_pReal , &
( real ( system ( 1 , ig ) , pReal ) + 2.0_pReal * real ( system ( 2 , ig ) , pReal ) ) * sqrt ( 0.75_pReal ) , &
real ( system ( 4 , ig ) , pReal ) * CoverA ]
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! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a))
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normal = [ real ( system ( 5 , ig ) , pReal ) , &
( real ( system ( 5 , ig ) , pReal ) + 2.0_pReal * real ( system ( 6 , ig ) , pReal ) ) / sqrt ( 3.0_pReal ) , &
real ( system ( 8 , ig ) , pReal ) / CoverA ]
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case ( 'bct' )
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direction = [ real ( system ( 1 : 2 , ig ) , pReal ) , real ( system ( 3 , ig ) , pReal ) * CoverA ]
normal = [ real ( system ( 4 : 5 , ig ) , pReal ) , real ( system ( 6 , ig ) , pReal ) / CoverA ]
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end select
buildCoordinateSystem ( 1 : 3 , 1 , ir ) = direction / norm2 ( direction ) ! make unit vector
buildCoordinateSystem ( 1 : 3 , 2 , ir ) = normal / norm2 ( normal ) ! make unit vector
buildCoordinateSystem ( 1 : 3 , 3 , ir ) = math_crossproduct ( direction , normal )
enddo mySystems
enddo myFamilies
end function buildCoordinateSystem
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end module lattice