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! Copyright 2011 Max-Planck-Institut für Eisenforschung GmbH
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!
! This file is part of DAMASK,
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! the Düsseldorf Advanced MAterial Simulation Kit.
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!
! DAMASK is free software: you can redistribute it and/or modify
! it under the terms of the GNU General Public License as published by
! the Free Software Foundation, either version 3 of the License, or
! (at your option) any later version.
!
! DAMASK is distributed in the hope that it will be useful,
! but WITHOUT ANY WARRANTY; without even the implied warranty of
! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
! GNU General Public License for more details.
!
! You should have received a copy of the GNU General Public License
! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
!
!##############################################################
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!* $Id$
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!************************************
!* Module: LATTICE *
!************************************
!* contains: *
!* - Lattice structure definition *
!* - Slip system definition *
!* - Schmid matrices calculation *
!************************************
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module lattice
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use prec , only : pReal , &
pInt
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implicit none
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private
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!************************************
!* Lattice structures *
!************************************
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integer ( pInt ) , parameter , public :: &
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lattice_maxNslipFamily = 5_pInt , & !< max # of slip system families over lattice structures
lattice_maxNtwinFamily = 4_pInt , & !< max # of twin system families over lattice structures
lattice_maxNslip = 54_pInt , & !< max # of slip systems over lattice structures
lattice_maxNtwin = 24_pInt , & !< max # of twin systems over lattice structures
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lattice_maxNinteraction = 30_pInt , & !< max # of interaction types (in hardening matrix part)
lattice_maxNonSchmid = 6_pInt !< max # of non schmid contributions over lattice structures
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integer ( pInt ) , allocatable , dimension ( : , : ) , protected , public :: &
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lattice_NslipSystem , & !< # of slip systems in each family
lattice_NtwinSystem !< # of twin systems in each family
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integer ( pInt ) , allocatable , dimension ( : , : , : ) , protected , public :: &
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lattice_interactionSlipSlip , & !< interaction type between slip/slip
lattice_interactionSlipTwin , & !< interaction type between slip/twin
lattice_interactionTwinSlip , & !< interaction type between twin/slip
lattice_interactionTwinTwin !< interaction type between twin/twin
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real ( pReal ) , allocatable , dimension ( : , : , : , : ) , protected , public :: &
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lattice_Sslip_v , &
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lattice_Sslip !< Schmid matrices, normal, shear direction and d x n of slip systems
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real ( pReal ) , allocatable , dimension ( : , : , : ) , protected , public :: &
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lattice_sn , &
lattice_sd , &
lattice_st
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! rotation and Schmid matrices, normal, shear direction and d x n of twin systems
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real ( pReal ) , allocatable , dimension ( : , : , : , : ) , protected , public :: &
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lattice_Stwin , &
lattice_Qtwin
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real ( pReal ) , allocatable , dimension ( : , : , : ) , protected , public :: &
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lattice_Stwin_v , &
lattice_tn , &
lattice_td , &
lattice_tt
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real ( pReal ) , allocatable , dimension ( : , : ) , protected , public :: &
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lattice_shearTwin !< characteristic twin shear
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integer ( pInt ) , private :: &
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lattice_Nhexagonal , & !< # of hexagonal lattice structure (from tag CoverA_ratio)
lattice_Nstructure !< # of lattice structures (1: fcc,2: bcc,3+: hexagonal)
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integer ( pInt ) , dimension ( : , : ) , pointer , private :: &
interactionSlipSlip , &
interactionSlipTwin , &
interactionTwinSlip , &
interactionTwinTwin
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integer ( pInt ) , allocatable , dimension ( : ) , protected , public :: &
NnonSchmid !< # of Non Schmid contributions for each structure
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!--------------------------------------------------------------------------------------------------
! fcc (1)
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integer ( pInt ) , dimension ( lattice_maxNslipFamily ) , parameter , public :: &
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lattice_fcc_NslipSystem = int ( [ 12 , 0 , 0 , 0 , 0 ] , pInt )
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integer ( pInt ) , dimension ( lattice_maxNtwinFamily ) , parameter , public :: &
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lattice_fcc_NtwinSystem = int ( [ 12 , 0 , 0 , 0 ] , pInt )
integer ( pInt ) , parameter , private :: &
lattice_fcc_Nslip = 12_pInt , & ! sum(lattice_fcc_NslipSystem)
lattice_fcc_Ntwin = 12_pInt ! sum(lattice_fcc_NtwinSystem)
integer ( pInt ) , private :: &
lattice_fcc_Nstructure = 0_pInt
real ( pReal ) , dimension ( 3 + 3 , lattice_fcc_Nslip ) , parameter , private :: &
lattice_fcc_systemSlip = reshape ( real ( [ &
0 , 1 , - 1 , 1 , 1 , 1 , &
- 1 , 0 , 1 , 1 , 1 , 1 , &
1 , - 1 , 0 , 1 , 1 , 1 , &
0 , - 1 , - 1 , - 1 , - 1 , 1 , &
1 , 0 , 1 , - 1 , - 1 , 1 , &
- 1 , 1 , 0 , - 1 , - 1 , 1 , &
0 , - 1 , 1 , 1 , - 1 , - 1 , &
- 1 , 0 , - 1 , 1 , - 1 , - 1 , &
1 , 1 , 0 , 1 , - 1 , - 1 , &
0 , 1 , 1 , - 1 , 1 , - 1 , &
1 , 0 , - 1 , - 1 , 1 , - 1 , &
- 1 , - 1 , 0 , - 1 , 1 , - 1 &
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] , pReal ) , [ 3_pInt + 3_pInt , lattice_fcc_Nslip ] ) !< Slip system <110>{111} Sorted according to Eisenlohr & Hantcherli
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real ( pReal ) , dimension ( 3 + 3 , lattice_fcc_Ntwin ) , parameter , private :: &
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 &
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] , pReal ) , [ 3_pInt + 3_pInt , lattice_fcc_Ntwin ] ) !< Twin system <112>{111} Sorted according to Eisenlohr & Hantcherli
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real ( pReal ) , dimension ( lattice_fcc_Ntwin ) , parameter , private :: &
lattice_fcc_shearTwin = reshape ( [ &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal &
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] , [ lattice_fcc_Ntwin ] ) !< Twin system <112>{111} Sorted according to Eisenlohr & Hantcherli
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integer ( pInt ) , dimension ( lattice_fcc_Nslip , lattice_fcc_Nslip ) , target , public :: &
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lattice_fcc_interactionSlipSlip = reshape ( int ( [ &
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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
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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 &
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] , pInt ) , [ lattice_fcc_Nslip , lattice_fcc_Nslip ] , order = [ 2 , 1 ] )
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!< Interaction types
!< 1 --- self interaction
!< 2 --- coplanar interaction
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!< 3 --- collinear interaction
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!< 4 --- Hirth locks
!< 5 --- glissile junctions
!< 6 --- Lomer locks
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integer ( pInt ) , dimension ( lattice_fcc_Nslip , lattice_fcc_Ntwin ) , target , public :: &
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lattice_fcc_interactionSlipTwin = reshape ( int ( [ &
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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 &
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] , pInt ) , [ lattice_fcc_Nslip , lattice_fcc_Ntwin ] , order = [ 2 , 1 ] )
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!< Interaction types
!< 1 --- coplanar interaction
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!< 2 --- screw trace between slip system and twin habit plane (easy cross slip)
!< 3 --- other interaction
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integer ( pInt ) , dimension ( lattice_fcc_Ntwin , lattice_fcc_Nslip ) , target , public :: &
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lattice_fcc_interactionTwinSlip = 0_pInt
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integer ( pInt ) , dimension ( lattice_fcc_Ntwin , lattice_fcc_Ntwin ) , target , public :: &
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lattice_fcc_interactionTwinTwin = reshape ( int ( [ &
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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
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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 &
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] , pInt ) , [ lattice_fcc_Ntwin , lattice_fcc_Ntwin ] , order = [ 2 , 1 ] )
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! Number of Non Schmid contributions for FCC
integer ( pInt ) , parameter , private :: NnonSchmid_fcc = 0_pInt
! Tensor for each non schmid contribution
real ( pReal ) , dimension ( 3 , 3 , 2 , NnonSchmid_fcc , lattice_fcc_Nslip ) , parameter , private :: &
lattice_nonSchmid_fcc = 0.0_pReal ! reshape([],[3,3,2,NnonSchmid_fcc,lattice_fcc_Nslip])
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!--------------------------------------------------------------------------------------------------
! bcc (2)
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integer ( pInt ) , dimension ( lattice_maxNslipFamily ) , parameter , public :: &
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lattice_bcc_NslipSystem = int ( [ 12 , 12 , 0 , 0 , 0 ] , pInt )
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integer ( pInt ) , dimension ( lattice_maxNtwinFamily ) , parameter , public :: &
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lattice_bcc_NtwinSystem = int ( [ 12 , 0 , 0 , 0 ] , pInt )
integer ( pInt ) , parameter , private :: &
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lattice_bcc_Nslip = 24_pInt ! sum(lattice_bcc_NslipSystem)
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integer ( pInt ) , parameter , private :: &
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lattice_bcc_Ntwin = 12_pInt ! sum(lattice_bcc_NtwinSystem)
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integer ( pInt ) , private :: &
lattice_bcc_Nstructure = 0_pInt
real ( pReal ) , dimension ( 3 + 3 , lattice_bcc_Nslip ) , parameter , private :: &
lattice_bcc_systemSlip = reshape ( real ( [ &
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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 , &
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! Slip system <111>{112}
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- 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 , &
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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 &
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] , pReal ) , [ 3_pInt + 3_pInt , lattice_bcc_Nslip ] )
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real ( pReal ) , dimension ( 3 + 3 , lattice_bcc_Ntwin ) , parameter , private :: &
lattice_bcc_systemTwin = reshape ( real ( [ &
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! 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 &
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] , pReal ) , [ 3_pInt + 3_pInt , lattice_bcc_Ntwin ] )
real ( pReal ) , dimension ( lattice_bcc_Ntwin ) , parameter , private :: &
lattice_bcc_shearTwin = reshape ( [ &
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0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal , &
0.7071067812_pReal &
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] , [ lattice_bcc_Ntwin ] )
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! slip--slip interactions for BCC structures (2) from Lee et al. Int J Plast 15 (1999) 625-645
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integer ( pInt ) , dimension ( lattice_bcc_Nslip , lattice_bcc_Nslip ) , target , public :: &
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lattice_bcc_interactionSlipSlip = reshape ( int ( [ &
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1 , 3 , 6 , 6 , 5 , 4 , 4 , 2 , 4 , 2 , 5 , 4 , 6 , 6 , 4 , 2 , 2 , 4 , 6 , 6 , 4 , 2 , 6 , 6 , & ! ---> slip
3 , 1 , 6 , 6 , 4 , 2 , 5 , 4 , 5 , 4 , 4 , 2 , 6 , 6 , 2 , 4 , 4 , 2 , 6 , 6 , 2 , 4 , 6 , 6 , & ! |
6 , 6 , 1 , 3 , 4 , 5 , 2 , 4 , 4 , 5 , 2 , 4 , 4 , 2 , 6 , 6 , 6 , 6 , 2 , 4 , 6 , 6 , 4 , 2 , & ! |
6 , 6 , 3 , 1 , 2 , 4 , 4 , 5 , 2 , 4 , 4 , 5 , 2 , 4 , 6 , 6 , 6 , 6 , 4 , 2 , 6 , 6 , 2 , 4 , & ! v slip
5 , 4 , 4 , 2 , 1 , 3 , 6 , 6 , 2 , 4 , 5 , 4 , 2 , 6 , 4 , 6 , 6 , 4 , 6 , 2 , 4 , 6 , 2 , 6 , &
4 , 2 , 5 , 4 , 3 , 1 , 6 , 6 , 4 , 5 , 4 , 2 , 4 , 6 , 2 , 6 , 6 , 2 , 6 , 4 , 2 , 6 , 4 , 6 , &
4 , 5 , 2 , 4 , 6 , 6 , 1 , 3 , 5 , 4 , 2 , 4 , 6 , 2 , 6 , 4 , 4 , 6 , 2 , 6 , 6 , 4 , 6 , 2 , &
2 , 4 , 4 , 5 , 6 , 6 , 3 , 1 , 4 , 2 , 4 , 5 , 6 , 4 , 6 , 2 , 2 , 6 , 4 , 6 , 6 , 2 , 6 , 4 , &
4 , 5 , 4 , 2 , 2 , 4 , 5 , 4 , 1 , 3 , 6 , 6 , 2 , 6 , 6 , 4 , 4 , 6 , 6 , 2 , 6 , 4 , 2 , 6 , &
2 , 4 , 5 , 4 , 4 , 5 , 4 , 2 , 3 , 1 , 6 , 6 , 4 , 6 , 6 , 2 , 2 , 6 , 6 , 4 , 6 , 2 , 4 , 6 , &
5 , 4 , 2 , 4 , 5 , 4 , 2 , 4 , 6 , 6 , 1 , 3 , 6 , 2 , 4 , 6 , 6 , 4 , 2 , 6 , 4 , 6 , 6 , 2 , &
4 , 2 , 4 , 5 , 4 , 2 , 4 , 5 , 6 , 6 , 3 , 1 , 6 , 4 , 2 , 6 , 6 , 2 , 4 , 6 , 2 , 6 , 6 , 4 , &
!
6 , 6 , 4 , 2 , 2 , 4 , 6 , 6 , 2 , 4 , 6 , 6 , 1 , 5 , 6 , 6 , 5 , 6 , 6 , 2 , 5 , 6 , 2 , 6 , &
6 , 6 , 2 , 4 , 6 , 6 , 2 , 4 , 6 , 6 , 2 , 4 , 5 , 1 , 6 , 6 , 6 , 5 , 2 , 6 , 6 , 5 , 6 , 2 , &
4 , 2 , 6 , 6 , 4 , 2 , 6 , 6 , 6 , 6 , 4 , 2 , 6 , 6 , 1 , 5 , 6 , 2 , 5 , 6 , 2 , 6 , 5 , 6 , &
2 , 4 , 6 , 6 , 6 , 6 , 4 , 2 , 4 , 2 , 6 , 6 , 6 , 6 , 5 , 1 , 2 , 6 , 6 , 5 , 6 , 2 , 6 , 5 , &
2 , 4 , 6 , 6 , 6 , 6 , 4 , 2 , 4 , 2 , 6 , 6 , 5 , 6 , 6 , 2 , 1 , 6 , 5 , 6 , 5 , 2 , 6 , 6 , &
4 , 2 , 6 , 6 , 4 , 2 , 6 , 6 , 6 , 6 , 4 , 2 , 6 , 5 , 2 , 6 , 6 , 1 , 6 , 5 , 2 , 5 , 6 , 6 , &
6 , 6 , 2 , 4 , 6 , 6 , 2 , 4 , 6 , 6 , 2 , 4 , 6 , 2 , 5 , 6 , 5 , 6 , 1 , 6 , 6 , 6 , 5 , 2 , &
6 , 6 , 4 , 2 , 2 , 4 , 6 , 6 , 2 , 4 , 6 , 6 , 2 , 6 , 6 , 5 , 6 , 5 , 6 , 1 , 6 , 6 , 2 , 5 , &
4 , 2 , 6 , 6 , 4 , 2 , 6 , 6 , 6 , 6 , 4 , 2 , 5 , 6 , 2 , 6 , 5 , 2 , 6 , 6 , 1 , 6 , 6 , 5 , &
2 , 4 , 6 , 6 , 6 , 6 , 4 , 2 , 4 , 2 , 6 , 6 , 6 , 5 , 6 , 2 , 2 , 5 , 6 , 6 , 6 , 1 , 5 , 6 , &
6 , 6 , 4 , 2 , 2 , 4 , 6 , 6 , 2 , 4 , 6 , 6 , 2 , 6 , 5 , 6 , 6 , 6 , 5 , 2 , 6 , 5 , 1 , 6 , &
6 , 6 , 2 , 4 , 6 , 6 , 2 , 4 , 6 , 6 , 2 , 4 , 6 , 2 , 6 , 5 , 6 , 6 , 2 , 5 , 5 , 6 , 6 , 1 &
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] , pInt ) , [ lattice_bcc_Nslip , lattice_bcc_Nslip ] , order = [ 2 , 1 ] )
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!< Interaction types
!< 1 --- self interaction
!< 2 --- no interaction
!< 3 --- coplanar interaction
!< 4 --- glissile interaction
!< 5 --- weak sessile interaction
!< 6 --- strong sessile interaction
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integer ( pInt ) , dimension ( lattice_bcc_Nslip , lattice_bcc_Ntwin ) , target , public :: &
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lattice_bcc_interactionSlipTwin = reshape ( int ( [ &
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3 , 3 , 3 , 2 , 2 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , & ! ---> twin
3 , 3 , 2 , 3 , 3 , 2 , 3 , 3 , 2 , 3 , 3 , 3 , & ! |
3 , 2 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , 3 , 3 , 2 , & ! |
2 , 3 , 3 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , 2 , 3 , & ! v slip
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 , &
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!
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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 , &
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3 , 2 , 3 , 3 , 3 , 3 , 2 , 3 , 3 , 3 , 3 , 1 &
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] , pInt ) , [ lattice_bcc_Nslip , lattice_bcc_Ntwin ] , order = [ 2 , 1 ] )
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!< Interaction types
!< 1 --- coplanar interaction
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!< 2 --- screw trace between slip system and twin habit plane (easy cross slip)
!< 3 --- other interaction
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! twin--slip interactions for BCC structures (2) MISSING: not implemented yet
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integer ( pInt ) , dimension ( lattice_bcc_Ntwin , lattice_bcc_Nslip ) , target , public :: &
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lattice_bcc_interactionTwinSlip = 0_pInt
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2012-11-23 22:32:50 +05:30
! twin--twin interactions for BCC structures (2)
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integer ( pInt ) , dimension ( lattice_bcc_Ntwin , lattice_bcc_Ntwin ) , target , public :: &
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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 ] )
!< Interaction types
!< 1 --- self interaction
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!< 2 --- collinear interaction
!< 3 --- other interaction
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! Number of Non Schmid contributions for BCC
integer ( pInt ) , parameter , private :: NnonSchmid_bcc = 0_pInt
! Tensor for each non schmid contribution
real ( pReal ) , dimension ( 3 , 3 , 2 , NnonSchmid_bcc , lattice_bcc_Nslip ) , parameter , private :: &
lattice_nonSchmid_bcc = 0.0_pReal ! reshape([],[3,3,2,NnonSchmid_bcc,lattice_bcc_Nslip])
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2012-08-15 19:08:38 +05:30
!--------------------------------------------------------------------------------------------------
! hex (3+)
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integer ( pInt ) , dimension ( lattice_maxNslipFamily ) , parameter , public :: &
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lattice_hex_NslipSystem = int ( [ 3 , 3 , 6 , 12 , 6 ] , pInt )
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integer ( pInt ) , dimension ( lattice_maxNtwinFamily ) , parameter , public :: &
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lattice_hex_NtwinSystem = int ( [ 6 , 6 , 6 , 6 ] , pInt )
integer ( pInt ) , parameter , private :: &
lattice_hex_Nslip = 30_pInt ! sum(lattice_hex_NslipSystem)
integer ( pInt ) , parameter , private :: &
lattice_hex_Ntwin = 24_pInt ! sum(lattice_hex_NtwinSystem)
integer ( pInt ) , private :: &
lattice_hex_Nstructure = 0_pInt
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2011-02-15 17:51:54 +05:30
!* sorted by A. Alankar & P. Eisenlohr
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real ( pReal ) , dimension ( 4 + 4 , lattice_hex_Nslip ) , parameter , private :: &
lattice_hex_systemSlip = reshape ( real ( [ &
! Basal systems <1120>{0001} (independent of c/a-ratio, Bravais notation (4 coordinate base))
2 , - 1 , - 1 , 0 , 0 , 0 , 0 , 1 , &
- 1 , 2 , - 1 , 0 , 0 , 0 , 0 , 1 , &
- 1 , - 1 , 2 , 0 , 0 , 0 , 0 , 1 , &
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! 1st type prismatic systems <11.0>{10.0} (independent of c/a-ratio)
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2 , - 1 , - 1 , 0 , 0 , 1 , - 1 , 0 , &
- 1 , 2 , - 1 , 0 , - 1 , 0 , 1 , 0 , &
- 1 , - 1 , 2 , 0 , 1 , - 1 , 0 , 0 , &
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! 1st type 1st order pyramidal systems <11.0>{10.1} -- plane normals depend on the c/a-ratio
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2 , - 1 , - 1 , 0 , 0 , 1 , - 1 , 1 , &
1 , 1 , - 2 , 0 , - 1 , 1 , 0 , 1 , &
- 1 , 2 , - 1 , 0 , - 1 , 0 , 1 , 1 , &
- 2 , 1 , 1 , 0 , 0 , - 1 , 1 , 1 , &
- 1 , - 1 , 2 , 0 , 1 , - 1 , 0 , 1 , &
1 , - 2 , 1 , 0 , 1 , 0 , - 1 , 1 , &
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! pyramidal system: c+a slip <-21.-3>{-10.1} -- plane normals depend on the c/a-ratio
- 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 , &
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 , &
! pyramidal system: c+a slip <11.-3>{11.2} -- 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 , & ! <11.-3>{11.2} shear = 2((c/a)^2-2)/(3 c/a)
1 , 1 , - 2 , - 3 , 1 , 1 , - 2 , 2 , & ! not sorted, just copied from twin system
- 1 , 2 , - 1 , - 3 , - 1 , 2 , - 1 , 2 , &
- 2 , 1 , 1 , - 3 , - 2 , 1 , 1 , 2 , &
- 1 , - 1 , 2 , - 3 , - 1 , - 1 , 2 , 2 , &
1 , - 2 , 1 , - 3 , 1 , - 2 , 1 , 2 &
] , pReal ) , [ 4_pInt + 4_pInt , lattice_hex_Nslip ] )
real ( pReal ) , dimension ( 4 + 4 , lattice_hex_Ntwin ) , parameter , private :: &
lattice_hex_systemTwin = reshape ( real ( [ &
0 , 1 , - 1 , 1 , 0 , - 1 , 1 , 2 , & ! <-10.1>{10.2} shear = (3-(c/a)^2)/(sqrt(3) c/a)
- 1 , 1 , 0 , 1 , 1 , - 1 , 0 , 2 , &
- 1 , 0 , 1 , 1 , 1 , 0 , - 1 , 2 , & !!
0 , - 1 , 1 , 1 , 0 , 1 , - 1 , 2 , &
1 , - 1 , 0 , 1 , - 1 , 1 , 0 , 2 , &
1 , 0 , - 1 , 1 , - 1 , 0 , 1 , 2 , &
2 , - 1 , - 1 , - 3 , 2 , - 1 , - 1 , 2 , & ! <11.-3>{11.2} shear = 2((c/a)^2-2)/(3 c/a)
1 , 1 , - 2 , - 3 , 1 , 1 , - 2 , 2 , & !!
- 1 , 2 , - 1 , - 3 , - 1 , 2 , - 1 , 2 , &
- 2 , 1 , 1 , - 3 , - 2 , 1 , 1 , 2 , &
- 1 , - 1 , 2 , - 3 , - 1 , - 1 , 2 , 2 , &
1 , - 2 , 1 , - 3 , 1 , - 2 , 1 , 2 , &
- 2 , 1 , 1 , 6 , 2 , - 1 , - 1 , 1 , & ! <-1-1.6>{11.1} shear = 1/(c/a)
- 1 , - 1 , 2 , 6 , 1 , 1 , - 2 , 1 , & !!
1 , - 2 , 1 , 6 , - 1 , 2 , - 1 , 1 , &
2 , - 1 , - 1 , 6 , - 2 , 1 , 1 , 1 , &
1 , 1 , - 2 , 6 , - 1 , - 1 , 2 , 1 , &
- 1 , 2 , - 1 , 6 , 1 , - 2 , 1 , 1 , &
1 , 0 , - 1 , - 2 , 1 , 0 , - 1 , 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 , &
0 , - 1 , 1 , - 2 , 0 , - 1 , 1 , 1 , &
1 , - 1 , 0 , - 2 , 1 , - 1 , 0 , 1 , &
- 1 , 1 , 0 , - 2 , - 1 , 1 , 0 , 1 &
] , pReal ) , [ 4_pInt + 4_pInt , lattice_hex_Ntwin ] ) !* Sort? Numbering of twin system follows Prof. Tom Bieler's scheme (to be consistent with his work); but numbering in data was restarted from 1 &
integer ( pInt ) , dimension ( lattice_hex_Ntwin ) , parameter , private :: &
lattice_hex_shearTwin = reshape ( int ( [ & ! indicator to formula further below
1 , & ! {10.2}<-10.1>
1 , &
1 , &
1 , &
1 , &
1 , &
2 , & ! {11.2}<11.-3>
2 , &
2 , &
2 , &
2 , &
2 , &
3 , & ! {11.1}<-1-1.6>
3 , &
3 , &
3 , &
3 , &
3 , &
4 , & ! {10.1}<10.-2>
4 , &
4 , &
4 , &
4 , &
4 &
] , pInt ) , [ lattice_hex_Ntwin ] )
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2009-05-19 10:53:29 +05:30
!* four different interaction type matrix
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!* 1. slip-slip interaction - 30 types
!* 2. slip-twin interaction - 20 types
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!* 3. twin-twin interaction - 20 types
!* 4. twin-slip interaction - 16 types
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2013-02-08 21:25:53 +05:30
integer ( pInt ) , dimension ( lattice_hex_Nslip , lattice_hex_Nslip ) , target , public :: &
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lattice_hex_interactionSlipSlip = reshape ( int ( [ &
2012-11-14 15:57:23 +05:30
1 , 6 , 6 , 11 , 11 , 11 , 15 , 15 , 15 , 15 , 15 , 15 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 20 , 20 , 20 , 20 , 20 , 20 , & ! ---> slip
6 , 1 , 6 , 11 , 11 , 11 , 15 , 15 , 15 , 15 , 15 , 15 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 20 , 20 , 20 , 20 , 20 , 20 , & ! |
6 , 6 , 1 , 11 , 11 , 11 , 15 , 15 , 15 , 15 , 15 , 15 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 18 , 20 , 20 , 20 , 20 , 20 , 20 , & ! |
! v slip
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21 , 21 , 21 , 2 , 7 , 7 , 12 , 12 , 12 , 12 , 12 , 12 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 19 , 19 , 19 , 19 , 19 , 19 , &
21 , 21 , 21 , 7 , 2 , 7 , 12 , 12 , 12 , 12 , 12 , 12 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 19 , 19 , 19 , 19 , 19 , 19 , &
21 , 21 , 21 , 7 , 7 , 2 , 12 , 12 , 12 , 12 , 12 , 12 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 19 , 19 , 19 , 19 , 19 , 19 , &
!
25 , 25 , 25 , 22 , 22 , 22 , 3 , 8 , 8 , 8 , 8 , 8 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 17 , 17 , 17 , 17 , 17 , 17 , &
25 , 25 , 25 , 22 , 22 , 22 , 8 , 3 , 8 , 8 , 8 , 8 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 17 , 17 , 17 , 17 , 17 , 17 , &
25 , 25 , 25 , 22 , 22 , 22 , 8 , 8 , 3 , 8 , 8 , 8 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 17 , 17 , 17 , 17 , 17 , 17 , &
25 , 25 , 25 , 22 , 22 , 22 , 8 , 8 , 8 , 3 , 8 , 8 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 17 , 17 , 17 , 17 , 17 , 17 , &
25 , 25 , 25 , 22 , 22 , 22 , 8 , 8 , 8 , 8 , 3 , 8 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 17 , 17 , 17 , 17 , 17 , 17 , &
25 , 25 , 25 , 22 , 22 , 22 , 8 , 8 , 8 , 8 , 8 , 3 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 17 , 17 , 17 , 17 , 17 , 17 , &
!
28 , 28 , 28 , 26 , 26 , 26 , 23 , 23 , 23 , 23 , 23 , 23 , 4 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 14 , 14 , 14 , 14 , 14 , 14 , &
28 , 28 , 28 , 26 , 26 , 26 , 23 , 23 , 23 , 23 , 23 , 23 , 9 , 4 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 14 , 14 , 14 , 14 , 14 , 14 , &
28 , 28 , 28 , 26 , 26 , 26 , 23 , 23 , 23 , 23 , 23 , 23 , 9 , 9 , 4 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 14 , 14 , 14 , 14 , 14 , 14 , &
28 , 28 , 28 , 26 , 26 , 26 , 23 , 23 , 23 , 23 , 23 , 23 , 9 , 9 , 9 , 4 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 14 , 14 , 14 , 14 , 14 , 14 , &
28 , 28 , 28 , 26 , 26 , 26 , 23 , 23 , 23 , 23 , 23 , 23 , 9 , 9 , 9 , 9 , 4 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 14 , 14 , 14 , 14 , 14 , 14 , &
28 , 28 , 28 , 26 , 26 , 26 , 23 , 23 , 23 , 23 , 23 , 23 , 9 , 9 , 9 , 9 , 9 , 4 , 9 , 9 , 9 , 9 , 9 , 9 , 14 , 14 , 14 , 14 , 14 , 14 , &
28 , 28 , 28 , 26 , 26 , 26 , 23 , 23 , 23 , 23 , 23 , 23 , 9 , 9 , 9 , 9 , 9 , 9 , 4 , 9 , 9 , 9 , 9 , 9 , 14 , 14 , 14 , 14 , 14 , 14 , &
28 , 28 , 28 , 26 , 26 , 26 , 23 , 23 , 23 , 23 , 23 , 23 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 4 , 9 , 9 , 9 , 9 , 14 , 14 , 14 , 14 , 14 , 14 , &
28 , 28 , 28 , 26 , 26 , 26 , 23 , 23 , 23 , 23 , 23 , 23 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 4 , 9 , 9 , 9 , 14 , 14 , 14 , 14 , 14 , 14 , &
28 , 28 , 28 , 26 , 26 , 26 , 23 , 23 , 23 , 23 , 23 , 23 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 4 , 9 , 9 , 14 , 14 , 14 , 14 , 14 , 14 , &
28 , 28 , 28 , 26 , 26 , 26 , 23 , 23 , 23 , 23 , 23 , 23 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 4 , 9 , 14 , 14 , 14 , 14 , 14 , 14 , &
28 , 28 , 28 , 26 , 26 , 26 , 23 , 23 , 23 , 23 , 23 , 23 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 9 , 4 , 14 , 14 , 14 , 14 , 14 , 14 , &
!
30 , 30 , 30 , 29 , 29 , 29 , 27 , 27 , 27 , 27 , 27 , 27 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 5 , 10 , 10 , 10 , 10 , 10 , &
30 , 30 , 30 , 29 , 29 , 29 , 27 , 27 , 27 , 27 , 27 , 27 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 10 , 5 , 10 , 10 , 10 , 10 , &
30 , 30 , 30 , 29 , 29 , 29 , 27 , 27 , 27 , 27 , 27 , 27 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 10 , 10 , 5 , 10 , 10 , 10 , &
30 , 30 , 30 , 29 , 29 , 29 , 27 , 27 , 27 , 27 , 27 , 27 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 10 , 10 , 10 , 5 , 10 , 10 , &
30 , 30 , 30 , 29 , 29 , 29 , 27 , 27 , 27 , 27 , 27 , 27 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 10 , 10 , 10 , 10 , 5 , 10 , &
30 , 30 , 30 , 29 , 29 , 29 , 27 , 27 , 27 , 27 , 27 , 27 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 24 , 10 , 10 , 10 , 10 , 10 , 5 &
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] , pInt ) , [ lattice_hex_Nslip , lattice_hex_Nslip ] , order = [ 2 , 1 ] )
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!* isotropic interaction at the moment
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integer ( pInt ) , dimension ( lattice_hex_Nslip , lattice_hex_Ntwin ) , target , public :: &
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lattice_hex_interactionSlipTwin = reshape ( int ( [ &
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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
5 , 5 , 5 , 5 , 5 , 5 , 6 , 6 , 6 , 6 , 6 , 6 , 7 , 7 , 7 , 7 , 7 , 7 , 8 , 8 , 8 , 8 , 8 , 8 , &
5 , 5 , 5 , 5 , 5 , 5 , 6 , 6 , 6 , 6 , 6 , 6 , 7 , 7 , 7 , 7 , 7 , 7 , 8 , 8 , 8 , 8 , 8 , 8 , &
!
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 , &
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 , &
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 &
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] , pInt ) , [ lattice_hex_Nslip , lattice_hex_Ntwin ] , order = [ 2 , 1 ] )
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!* isotropic interaction at the moment
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integer ( pInt ) , dimension ( lattice_hex_Ntwin , lattice_hex_Nslip ) , target , public :: &
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lattice_hex_interactionTwinSlip = reshape ( int ( [ &
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1 , 1 , 1 , 5 , 5 , 5 , 9 , 9 , 9 , 9 , 9 , 9 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 17 , 17 , 17 , 17 , 17 , 17 , & ! --> slip
1 , 1 , 1 , 5 , 5 , 5 , 9 , 9 , 9 , 9 , 9 , 9 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 17 , 17 , 17 , 17 , 17 , 17 , & ! |
1 , 1 , 1 , 5 , 5 , 5 , 9 , 9 , 9 , 9 , 9 , 9 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 17 , 17 , 17 , 17 , 17 , 17 , & ! |
1 , 1 , 1 , 5 , 5 , 5 , 9 , 9 , 9 , 9 , 9 , 9 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 17 , 17 , 17 , 17 , 17 , 17 , & ! v
1 , 1 , 1 , 5 , 5 , 5 , 9 , 9 , 9 , 9 , 9 , 9 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 17 , 17 , 17 , 17 , 17 , 17 , & ! twin
1 , 1 , 1 , 5 , 5 , 5 , 9 , 9 , 9 , 9 , 9 , 9 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 13 , 17 , 17 , 17 , 17 , 17 , 17 , &
!
2 , 2 , 2 , 6 , 6 , 6 , 10 , 10 , 10 , 10 , 10 , 10 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 18 , 18 , 18 , 18 , 18 , 18 , &
2 , 2 , 2 , 6 , 6 , 6 , 10 , 10 , 10 , 10 , 10 , 10 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 18 , 18 , 18 , 18 , 18 , 18 , &
2 , 2 , 2 , 6 , 6 , 6 , 10 , 10 , 10 , 10 , 10 , 10 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 18 , 18 , 18 , 18 , 18 , 18 , &
2 , 2 , 2 , 6 , 6 , 6 , 10 , 10 , 10 , 10 , 10 , 10 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 18 , 18 , 18 , 18 , 18 , 18 , &
2 , 2 , 2 , 6 , 6 , 6 , 10 , 10 , 10 , 10 , 10 , 10 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 18 , 18 , 18 , 18 , 18 , 18 , &
2 , 2 , 2 , 6 , 6 , 6 , 10 , 10 , 10 , 10 , 10 , 10 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 14 , 18 , 18 , 18 , 18 , 18 , 18 , &
!
3 , 3 , 3 , 7 , 7 , 7 , 11 , 11 , 11 , 11 , 11 , 11 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 19 , 19 , 19 , 19 , 19 , 19 , &
3 , 3 , 3 , 7 , 7 , 7 , 11 , 11 , 11 , 11 , 11 , 11 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 19 , 19 , 19 , 19 , 19 , 19 , &
3 , 3 , 3 , 7 , 7 , 7 , 11 , 11 , 11 , 11 , 11 , 11 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 19 , 19 , 19 , 19 , 19 , 19 , &
3 , 3 , 3 , 7 , 7 , 7 , 11 , 11 , 11 , 11 , 11 , 11 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 19 , 19 , 19 , 19 , 19 , 19 , &
3 , 3 , 3 , 7 , 7 , 7 , 11 , 11 , 11 , 11 , 11 , 11 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 19 , 19 , 19 , 19 , 19 , 19 , &
3 , 3 , 3 , 7 , 7 , 7 , 11 , 11 , 11 , 11 , 11 , 11 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 15 , 19 , 19 , 19 , 19 , 19 , 19 , &
!
4 , 4 , 4 , 8 , 8 , 8 , 12 , 12 , 12 , 12 , 12 , 12 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 20 , 20 , 20 , 20 , 20 , 20 , &
4 , 4 , 4 , 8 , 8 , 8 , 12 , 12 , 12 , 12 , 12 , 12 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 20 , 20 , 20 , 20 , 20 , 20 , &
4 , 4 , 4 , 8 , 8 , 8 , 12 , 12 , 12 , 12 , 12 , 12 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 20 , 20 , 20 , 20 , 20 , 20 , &
4 , 4 , 4 , 8 , 8 , 8 , 12 , 12 , 12 , 12 , 12 , 12 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 20 , 20 , 20 , 20 , 20 , 20 , &
4 , 4 , 4 , 8 , 8 , 8 , 12 , 12 , 12 , 12 , 12 , 12 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 20 , 20 , 20 , 20 , 20 , 20 , &
4 , 4 , 4 , 8 , 8 , 8 , 12 , 12 , 12 , 12 , 12 , 12 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 16 , 20 , 20 , 20 , 20 , 20 , 20 &
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] , pInt ) , [ lattice_hex_Ntwin , lattice_hex_Nslip ] , order = [ 2 , 1 ] )
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integer ( pInt ) , dimension ( lattice_hex_Ntwin , lattice_hex_Ntwin ) , target , public :: &
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lattice_hex_interactionTwinTwin = reshape ( int ( [ &
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1 , 5 , 5 , 5 , 5 , 5 , 9 , 9 , 9 , 9 , 9 , 9 , 12 , 12 , 12 , 12 , 12 , 12 , 14 , 14 , 14 , 14 , 14 , 14 , & ! ---> twin
5 , 1 , 5 , 5 , 5 , 5 , 9 , 9 , 9 , 9 , 9 , 9 , 12 , 12 , 12 , 12 , 12 , 12 , 14 , 14 , 14 , 14 , 14 , 14 , & ! |
5 , 5 , 1 , 5 , 5 , 5 , 9 , 9 , 9 , 9 , 9 , 9 , 12 , 12 , 12 , 12 , 12 , 12 , 14 , 14 , 14 , 14 , 14 , 14 , & ! |
5 , 5 , 5 , 1 , 5 , 5 , 9 , 9 , 9 , 9 , 9 , 9 , 12 , 12 , 12 , 12 , 12 , 12 , 14 , 14 , 14 , 14 , 14 , 14 , & ! v twin
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5 , 5 , 5 , 5 , 1 , 5 , 9 , 9 , 9 , 9 , 9 , 9 , 12 , 12 , 12 , 12 , 12 , 12 , 14 , 14 , 14 , 14 , 14 , 14 , &
5 , 5 , 5 , 5 , 5 , 1 , 9 , 9 , 9 , 9 , 9 , 9 , 12 , 12 , 12 , 12 , 12 , 12 , 14 , 14 , 14 , 14 , 14 , 14 , &
!
15 , 15 , 15 , 15 , 15 , 15 , 2 , 6 , 6 , 6 , 6 , 6 , 10 , 10 , 10 , 10 , 10 , 10 , 13 , 13 , 13 , 13 , 13 , 13 , &
15 , 15 , 15 , 15 , 15 , 15 , 6 , 2 , 6 , 6 , 6 , 6 , 10 , 10 , 10 , 10 , 10 , 10 , 13 , 13 , 13 , 13 , 13 , 13 , &
15 , 15 , 15 , 15 , 15 , 15 , 6 , 6 , 2 , 6 , 6 , 6 , 10 , 10 , 10 , 10 , 10 , 10 , 13 , 13 , 13 , 13 , 13 , 13 , &
15 , 15 , 15 , 15 , 15 , 15 , 6 , 6 , 6 , 2 , 6 , 6 , 10 , 10 , 10 , 10 , 10 , 10 , 13 , 13 , 13 , 13 , 13 , 13 , &
15 , 15 , 15 , 15 , 15 , 15 , 6 , 6 , 6 , 6 , 2 , 6 , 10 , 10 , 10 , 10 , 10 , 10 , 13 , 13 , 13 , 13 , 13 , 13 , &
15 , 15 , 15 , 15 , 15 , 15 , 6 , 6 , 6 , 6 , 6 , 2 , 10 , 10 , 10 , 10 , 10 , 10 , 13 , 13 , 13 , 13 , 13 , 13 , &
!
18 , 18 , 18 , 18 , 18 , 18 , 16 , 16 , 16 , 16 , 16 , 16 , 3 , 7 , 7 , 7 , 7 , 7 , 11 , 11 , 11 , 11 , 11 , 11 , &
18 , 18 , 18 , 18 , 18 , 18 , 16 , 16 , 16 , 16 , 16 , 16 , 7 , 3 , 7 , 7 , 7 , 7 , 11 , 11 , 11 , 11 , 11 , 11 , &
18 , 18 , 18 , 18 , 18 , 18 , 16 , 16 , 16 , 16 , 16 , 16 , 7 , 7 , 3 , 7 , 7 , 7 , 11 , 11 , 11 , 11 , 11 , 11 , &
18 , 18 , 18 , 18 , 18 , 18 , 16 , 16 , 16 , 16 , 16 , 16 , 7 , 7 , 7 , 3 , 7 , 7 , 11 , 11 , 11 , 11 , 11 , 11 , &
18 , 18 , 18 , 18 , 18 , 18 , 16 , 16 , 16 , 16 , 16 , 16 , 7 , 7 , 7 , 7 , 3 , 7 , 11 , 11 , 11 , 11 , 11 , 11 , &
18 , 18 , 18 , 18 , 18 , 18 , 16 , 16 , 16 , 16 , 16 , 16 , 7 , 7 , 7 , 7 , 7 , 3 , 11 , 11 , 11 , 11 , 11 , 11 , &
!
20 , 20 , 20 , 20 , 20 , 20 , 19 , 19 , 19 , 19 , 19 , 19 , 17 , 17 , 17 , 17 , 17 , 17 , 4 , 8 , 8 , 8 , 8 , 8 , &
20 , 20 , 20 , 20 , 20 , 20 , 19 , 19 , 19 , 19 , 19 , 19 , 17 , 17 , 17 , 17 , 17 , 17 , 8 , 4 , 8 , 8 , 8 , 8 , &
20 , 20 , 20 , 20 , 20 , 20 , 19 , 19 , 19 , 19 , 19 , 19 , 17 , 17 , 17 , 17 , 17 , 17 , 8 , 8 , 4 , 8 , 8 , 8 , &
20 , 20 , 20 , 20 , 20 , 20 , 19 , 19 , 19 , 19 , 19 , 19 , 17 , 17 , 17 , 17 , 17 , 17 , 8 , 8 , 8 , 4 , 8 , 8 , &
20 , 20 , 20 , 20 , 20 , 20 , 19 , 19 , 19 , 19 , 19 , 19 , 17 , 17 , 17 , 17 , 17 , 17 , 8 , 8 , 8 , 8 , 4 , 8 , &
20 , 20 , 20 , 20 , 20 , 20 , 19 , 19 , 19 , 19 , 19 , 19 , 17 , 17 , 17 , 17 , 17 , 17 , 8 , 8 , 8 , 8 , 8 , 4 &
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] , pInt ) , [ lattice_hex_Ntwin , lattice_hex_Ntwin ] , order = [ 2 , 1 ] )
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! Number of Non Schmid contributions for hex
integer ( pInt ) , parameter , private :: NnonSchmid_hex = 0_pInt
! Tensor for each non schmid contribution
real ( pReal ) , dimension ( 3 , 3 , 2 , NnonSchmid_hex , lattice_hex_Nslip ) , parameter , private :: &
lattice_nonSchmid_hex = 0.0_pReal ! reshape([],[3,3,2,NnonSchmid_hex,lattice_hex_Nslip])
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public :: &
lattice_init , &
lattice_initializeStructure , &
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lattice_symmetryType , &
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lattice_symmetrizeC66 , &
lattice_configNchunks
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contains
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!--------------------------------------------------------------------------------------------------
!> @brief Maps structure to symmetry type
!> @details fcc(1) and bcc(2) are cubic(1) hex(3+) is hexagonal(2)
!--------------------------------------------------------------------------------------------------
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integer ( pInt ) pure function lattice_symmetryType ( structName )
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implicit none
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character ( len = 32 ) , intent ( in ) :: structName
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select case ( structName ( 1 : 3 ) )
case ( 'fcc' , 'bcc' )
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lattice_symmetryType = 1_pInt
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case ( 'hex' )
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lattice_symmetryType = 2_pInt
case default
lattice_symmetryType = 0_pInt
end select
return
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end function lattice_symmetryType
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!--------------------------------------------------------------------------------------------------
!> @brief Symmetrizes stiffness matrix according to lattice type
!--------------------------------------------------------------------------------------------------
pure function lattice_symmetrizeC66 ( structName , C66 )
implicit none
character ( len = 32 ) , intent ( in ) :: structName
real ( pReal ) , dimension ( 6 , 6 ) , intent ( in ) :: C66
real ( pReal ) , dimension ( 6 , 6 ) :: lattice_symmetrizeC66
integer ( pInt ) :: j , k
lattice_symmetrizeC66 = 0.0_pReal
select case ( structName ( 1 : 3 ) )
case ( 'iso' )
forall ( k = 1_pInt : 3_pInt )
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forall ( j = 1_pInt : 3_pInt ) lattice_symmetrizeC66 ( k , j ) = C66 ( 1 , 2 )
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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 ( 'fcc' , 'bcc' )
forall ( k = 1_pInt : 3_pInt )
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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
case ( 'hex' )
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 ( 'ort' )
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 )
end select
return
end function lattice_symmetrizeC66
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!--------------------------------------------------------------------------------------------------
!> @brief Module initialization
!--------------------------------------------------------------------------------------------------
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subroutine lattice_init
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use , intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use IO , only : IO_open_file , &
IO_open_jobFile_stat , &
IO_countSections , &
IO_countTagInPart , &
IO_error
use material , only : material_configfile , &
material_localFileExt , &
material_partPhase
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use debug , only : debug_level , &
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debug_lattice , &
debug_levelBasic
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implicit none
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integer ( pInt ) , parameter :: fileunit = 200_pInt
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integer ( pInt ) :: Nsections
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openmp parallelization working again (at least for j2 and nonlocal constitutive model).
In order to keep it like that, please follow these simple rules:
DON'T use implicit array subscripts:
example: real, dimension(3,3) :: A,B
A(:,2) = B(:,1) <--- DON'T USE
A(1:3,2) = B(1:3,1) <--- BETTER USE
In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks.
Enclose all write statements with the following:
!$OMP CRITICAL (write2out)
<your write statement>
!$OMP END CRITICAL (write2out)
Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
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!$OMP CRITICAL (write2out)
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write ( 6 , * )
write ( 6 , * ) '<<<+- lattice init -+>>>'
write ( 6 , * ) '$Id$'
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#include "compilation_info.f90"
openmp parallelization working again (at least for j2 and nonlocal constitutive model).
In order to keep it like that, please follow these simple rules:
DON'T use implicit array subscripts:
example: real, dimension(3,3) :: A,B
A(:,2) = B(:,1) <--- DON'T USE
A(1:3,2) = B(1:3,1) <--- BETTER USE
In many cases the use of explicit array subscripts is inevitable for parallelization. Additionally, it is an easy means to prevent memory leaks.
Enclose all write statements with the following:
!$OMP CRITICAL (write2out)
<your write statement>
!$OMP END CRITICAL (write2out)
Whenever you change something in the code and are not sure if it affects parallelization and leads to nonconforming behavior, please ask me and/or Franz to check this.
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!$OMP END CRITICAL (write2out)
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if ( . not . IO_open_jobFile_stat ( fileunit , material_localFileExt ) ) then ! no local material configuration present...
call IO_open_file ( fileunit , material_configFile ) ! ... open material.config file
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endif
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Nsections = IO_countSections ( fileunit , material_partPhase )
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lattice_Nstructure = 2_pInt + sum ( IO_countTagInPart ( fileunit , material_partPhase , 'covera_ratio' , Nsections ) ) ! fcc + bcc + all hex
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! lattice_Nstructure = Nsections + 2_pInt ! most conservative assumption
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close ( fileunit )
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if ( iand ( debug_level ( debug_lattice ) , debug_levelBasic ) / = 0_pInt ) then
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!$OMP CRITICAL (write2out)
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write ( 6 , '(a16,1x,i5)' ) '# phases:' , Nsections
write ( 6 , '(a16,1x,i5)' ) '# structures:' , lattice_Nstructure
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write ( 6 , * )
!$OMP END CRITICAL (write2out)
endif
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allocate ( NnonSchmid ( lattice_Nstructure ) ) ; NnonSchmid = 0_pInt
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allocate ( lattice_Sslip ( 3 , 3 , lattice_maxNslip , lattice_Nstructure ) ) ; lattice_Sslip = 0.0_pReal
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allocate ( lattice_Sslip_v ( 6 , 1 + 2 * lattice_maxNonSchmid , lattice_maxNslip , lattice_Nstructure ) ) ; lattice_Sslip_v = 0.0_pReal
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allocate ( lattice_sd ( 3 , lattice_maxNslip , lattice_Nstructure ) ) ; lattice_sd = 0.0_pReal
allocate ( lattice_st ( 3 , lattice_maxNslip , lattice_Nstructure ) ) ; lattice_st = 0.0_pReal
allocate ( lattice_sn ( 3 , lattice_maxNslip , lattice_Nstructure ) ) ; lattice_sn = 0.0_pReal
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allocate ( lattice_Qtwin ( 3 , 3 , lattice_maxNtwin , lattice_Nstructure ) ) ; lattice_Qtwin = 0.0_pReal
allocate ( lattice_Stwin ( 3 , 3 , lattice_maxNtwin , lattice_Nstructure ) ) ; lattice_Stwin = 0.0_pReal
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allocate ( lattice_Stwin_v ( 6 , lattice_maxNtwin , lattice_Nstructure ) ) ; lattice_Stwin_v = 0.0_pReal
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allocate ( lattice_td ( 3 , lattice_maxNtwin , lattice_Nstructure ) ) ; lattice_td = 0.0_pReal
allocate ( lattice_tt ( 3 , lattice_maxNtwin , lattice_Nstructure ) ) ; lattice_tt = 0.0_pReal
allocate ( lattice_tn ( 3 , lattice_maxNtwin , lattice_Nstructure ) ) ; lattice_tn = 0.0_pReal
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allocate ( lattice_shearTwin ( lattice_maxNtwin , lattice_Nstructure ) ) ; lattice_shearTwin = 0.0_pReal
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allocate ( lattice_NslipSystem ( lattice_maxNslipFamily , lattice_Nstructure ) ) ; lattice_NslipSystem = 0_pInt
allocate ( lattice_NtwinSystem ( lattice_maxNtwinFamily , lattice_Nstructure ) ) ; lattice_NtwinSystem = 0_pInt
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allocate ( lattice_interactionSlipSlip ( lattice_maxNslip , lattice_maxNslip , lattice_Nstructure ) )
lattice_interactionSlipSlip = 0_pInt ! other:me
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allocate ( lattice_interactionSlipTwin ( lattice_maxNslip , lattice_maxNtwin , lattice_Nstructure ) )
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lattice_interactionSlipTwin = 0_pInt ! other:me
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allocate ( lattice_interactionTwinSlip ( lattice_maxNtwin , lattice_maxNslip , lattice_Nstructure ) )
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lattice_interactionTwinSlip = 0_pInt ! other:me
allocate ( lattice_interactionTwinTwin ( lattice_maxNtwin , lattice_maxNtwin , lattice_Nstructure ) )
lattice_interactionTwinTwin = 0_pInt ! other:me
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end subroutine lattice_init
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!--------------------------------------------------------------------------------------------------
!> @brief Calculation of Schmid matrices, etc.
!--------------------------------------------------------------------------------------------------
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integer ( pInt ) function lattice_initializeStructure ( struct , CoverA )
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use prec , only : pReal , pInt
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use math , only : math_vectorproduct , &
math_tensorproduct , &
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math_norm3 , &
math_trace33 , &
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math_symmetric33 , &
math_Mandel33to6 , &
math_axisAngleToR , &
INRAD
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use IO , only : IO_error
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implicit none
character ( len = * ) struct
real ( pReal ) CoverA
real ( pReal ) , dimension ( 3 , lattice_maxNslip ) :: sd = 0.0_pReal , &
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sn = 0.0_pReal
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real ( pReal ) , dimension ( 12 , lattice_maxNonSchmid , lattice_maxNslip ) :: sns = 0.0_pReal
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real ( pReal ) , dimension ( 3 , lattice_maxNtwin ) :: td = 0.0_pReal , &
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tn = 0.0_pReal
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real ( pReal ) , dimension ( lattice_maxNtwin ) :: ts = 0.0_pReal
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integer ( pInt ) , dimension ( lattice_maxNslipFamily ) :: myNslipSystem = 0_pInt
integer ( pInt ) , dimension ( lattice_maxNtwinFamily ) :: myNtwinSystem = 0_pInt
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integer ( pInt ) :: i , j , myNslip , myNtwin , myStructure = 0_pInt
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logical :: processMe
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processMe = . false .
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select case ( struct ( 1 : 3 ) ) ! check first three chars of structure name
case ( 'fcc' )
myStructure = 1_pInt
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myNslipSystem = lattice_fcc_NslipSystem ! size of slip system families
myNtwinSystem = lattice_fcc_NtwinSystem ! size of twin system families
myNslip = lattice_fcc_Nslip ! overall number of slip systems
myNtwin = lattice_fcc_Ntwin ! overall number of twin systems
lattice_fcc_Nstructure = lattice_fcc_Nstructure + 1_pInt ! count fcc instances
if ( lattice_fcc_Nstructure == 1_pInt ) then ! me is first fcc structure
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processMe = . true .
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NnonSchmid ( myStructure ) = NnonSchmid_fcc ! Currently no known non schmid contributions for FCC (to be changed later)
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do i = 1_pInt , myNslip ! assign slip system vectors
sd ( 1 : 3 , i ) = lattice_fcc_systemSlip ( 1 : 3 , i )
sn ( 1 : 3 , i ) = lattice_fcc_systemSlip ( 4 : 6 , i )
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do j = 1_pInt , NnonSchmid_fcc
sns ( 1 : 6 , j , i ) = math_Mandel33to6 ( lattice_nonSchmid_fcc ( 1 : 3 , 1 : 3 , 1 , j , i ) )
sns ( 7 : 12 , j , i ) = math_Mandel33to6 ( lattice_nonSchmid_fcc ( 1 : 3 , 1 : 3 , 2 , j , i ) )
enddo
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enddo
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do i = 1_pInt , myNtwin ! assign twin system vectors and shears
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 )
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enddo
interactionSlipSlip = > lattice_fcc_interactionSlipSlip
interactionSlipTwin = > lattice_fcc_interactionSlipTwin
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interactionTwinSlip = > lattice_fcc_interactionTwinSlip
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interactionTwinTwin = > lattice_fcc_interactionTwinTwin
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endif
case ( 'bcc' )
myStructure = 2_pInt
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myNslipSystem = lattice_bcc_NslipSystem ! size of slip system families
myNtwinSystem = lattice_bcc_NtwinSystem ! size of twin system families
myNslip = lattice_bcc_Nslip ! overall number of slip systems
myNtwin = lattice_bcc_Ntwin ! overall number of twin systems
lattice_bcc_Nstructure = lattice_bcc_Nstructure + 1_pInt ! count bcc instances
if ( lattice_bcc_Nstructure == 1_pInt ) then ! me is first bcc structure
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processMe = . true .
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NnonSchmid ( myStructure ) = NnonSchmid_BCC ! 5 known non schmid contributions for BCC (A. Koester, A. Ma, A. Hartmaier 2012)
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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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do j = 1_pInt , NnonSchmid_bcc
sns ( 1 : 6 , j , i ) = math_Mandel33to6 ( lattice_nonSchmid_bcc ( 1 : 3 , 1 : 3 , 1 , j , i ) )
sns ( 7 : 12 , j , i ) = math_Mandel33to6 ( lattice_nonSchmid_bcc ( 1 : 3 , 1 : 3 , 2 , j , i ) )
enddo
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enddo
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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 )
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enddo
interactionSlipSlip = > lattice_bcc_interactionSlipSlip
interactionSlipTwin = > lattice_bcc_interactionSlipTwin
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interactionTwinSlip = > lattice_bcc_interactionTwinSlip
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interactionTwinTwin = > lattice_bcc_interactionTwinTwin
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endif
case ( 'hex' )
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if ( CoverA > = 1.0_pReal ) then ! checking physical significance of c/a
lattice_hex_Nstructure = lattice_hex_Nstructure + 1_pInt ! count instances of hex structures
myStructure = 2_pInt + lattice_hex_Nstructure ! 3,4,5,.. for hex
myNslipSystem = lattice_hex_NslipSystem ! size of slip system families
myNtwinSystem = lattice_hex_NtwinSystem ! size of twin system families
myNslip = lattice_hex_Nslip ! overall number of slip systems
myNtwin = lattice_hex_Ntwin ! overall number of twin systems
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processMe = . true .
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NnonSchmid ( myStructure ) = NnonSchmid_hex ! Currently no known non schmid contributions for hex (to be changed later)
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! converting from 4 axes coordinate system (a1=a2=a3=c) to ortho-hexgonal system (a, b, c)
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do i = 1_pInt , myNslip
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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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do j = 1_pInt , NnonSchmid_hex
sns ( 1 : 6 , j , i ) = math_Mandel33to6 ( lattice_nonSchmid_hex ( 1 : 3 , 1 : 3 , 1 , j , i ) )
sns ( 7 : 12 , j , i ) = math_Mandel33to6 ( lattice_nonSchmid_hex ( 1 : 3 , 1 : 3 , 2 , j , i ) )
enddo
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enddo
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do i = 1_pInt , myNtwin
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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
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case ( 1_pInt ) ! {10.2}<-10.1>
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ts ( i ) = ( 3.0_pReal - CoverA * CoverA ) / sqrt ( 3.0_pReal ) / CoverA
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case ( 2_pInt ) ! {11.2}<11.-3>
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ts ( i ) = 2.0_pReal * ( CoverA * CoverA - 2.0_pReal ) / 3.0_pReal / CoverA
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case ( 3_pInt ) ! {11.1}<-1-1.6>
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ts ( i ) = 1.0_pReal / CoverA
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case ( 4_pInt ) ! {10.1}<10.-2>
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ts ( i ) = ( 4.0_pReal * CoverA * CoverA - 9.0_pReal ) / 4.0_pReal / sqrt ( 3.0_pReal ) / CoverA
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end select
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enddo
interactionSlipSlip = > lattice_hex_interactionSlipSlip
interactionSlipTwin = > lattice_hex_interactionSlipTwin
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interactionTwinSlip = > lattice_hex_interactionTwinSlip
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interactionTwinTwin = > lattice_hex_interactionTwinTwin
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endif
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end select
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if ( processMe ) then
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if ( myStructure > lattice_Nstructure ) &
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call IO_error ( 666_pInt , myStructure , ext_msg = 'structure index out of bounds' ) ! check for memory leakage
do i = 1_pInt , myNslip ! store slip system vectors and Schmid matrix for my structure
lattice_sd ( 1 : 3 , i , myStructure ) = sd ( 1 : 3 , i ) / math_norm3 ( sd ( 1 : 3 , i ) ) ! make unit vector
lattice_sn ( 1 : 3 , i , myStructure ) = sn ( 1 : 3 , i ) / math_norm3 ( sn ( 1 : 3 , i ) ) ! make unit vector
lattice_st ( 1 : 3 , i , myStructure ) = math_vectorproduct ( lattice_sd ( 1 : 3 , i , myStructure ) , &
lattice_sn ( 1 : 3 , i , myStructure ) )
lattice_Sslip ( 1 : 3 , 1 : 3 , i , myStructure ) = math_tensorproduct ( lattice_sd ( 1 : 3 , i , myStructure ) , &
lattice_sn ( 1 : 3 , i , myStructure ) )
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lattice_Sslip_v ( 1 : 6 , 1 , i , myStructure ) = math_Mandel33to6 ( math_symmetric33 ( lattice_Sslip ( 1 : 3 , 1 : 3 , i , myStructure ) ) )
do j = 1_pInt , NnonSchmid ( myStructure )
lattice_Sslip_v ( 1 : 6 , 2 * j , i , myStructure ) = sns ( 1 : 6 , j , i )
lattice_Sslip_v ( 1 : 6 , 2 * j + 1 , i , myStructure ) = sns ( 7 : 12 , j , i )
enddo
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if ( abs ( math_trace33 ( lattice_Sslip ( 1 : 3 , 1 : 3 , i , myStructure ) ) ) > 1.0e-8_pReal ) &
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call IO_error ( 0_pInt , myStructure , i , 0_pInt , ext_msg = 'dilatational slip Schmid matrix' )
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enddo
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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 , myStructure ) = td ( 1 : 3 , i ) / math_norm3 ( td ( 1 : 3 , i ) ) ! make unit vector
lattice_tn ( 1 : 3 , i , myStructure ) = tn ( 1 : 3 , i ) / math_norm3 ( tn ( 1 : 3 , i ) ) ! make unit vector
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lattice_tt ( 1 : 3 , i , myStructure ) = math_vectorproduct ( lattice_td ( 1 : 3 , i , myStructure ) , &
lattice_tn ( 1 : 3 , i , myStructure ) )
lattice_Stwin ( 1 : 3 , 1 : 3 , i , myStructure ) = math_tensorproduct ( lattice_td ( 1 : 3 , i , myStructure ) , &
lattice_tn ( 1 : 3 , i , myStructure ) )
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lattice_Stwin_v ( 1 : 6 , i , myStructure ) = math_Mandel33to6 ( math_symmetric33 ( lattice_Stwin ( 1 : 3 , 1 : 3 , i , myStructure ) ) )
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lattice_Qtwin ( 1 : 3 , 1 : 3 , i , myStructure ) = math_AxisAngleToR ( tn ( 1 : 3 , i ) , 18 0.0_pReal * INRAD )
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lattice_shearTwin ( i , myStructure ) = ts ( i )
if ( abs ( math_trace33 ( lattice_Stwin ( 1 : 3 , 1 : 3 , i , myStructure ) ) ) > 1.0e-8_pReal ) &
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call IO_error ( 0_pInt , myStructure , i , 0_pInt , ext_msg = 'dilatational twin Schmid matrix' )
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enddo
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lattice_NslipSystem ( 1 : lattice_maxNslipFamily , myStructure ) = myNslipSystem ! number of slip systems in each family
lattice_NtwinSystem ( 1 : lattice_maxNtwinFamily , myStructure ) = myNtwinSystem ! number of twin systems in each family
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lattice_interactionSlipSlip ( 1 : myNslip , 1 : myNslip , myStructure ) = interactionSlipSlip ( 1 : myNslip , 1 : myNslip )
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lattice_interactionSlipTwin ( 1 : myNslip , 1 : myNtwin , myStructure ) = interactionSlipTwin ( 1 : myNslip , 1 : myNtwin )
lattice_interactionTwinSlip ( 1 : myNtwin , 1 : myNslip , myStructure ) = interactionTwinSlip ( 1 : myNtwin , 1 : myNslip )
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lattice_interactionTwinTwin ( 1 : myNtwin , 1 : myNtwin , myStructure ) = interactionTwinTwin ( 1 : myNtwin , 1 : myNtwin )
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endif
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lattice_initializeStructure = myStructure ! report my structure index back
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end function lattice_initializeStructure
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!--------------------------------------------------------------------------------------------------
!> @brief Number of parameters to expect in material.config section
! NslipFamilies
! NtwinFamilies
! SlipSlipInteraction
! SlipTwinInteraction
! TwinSlipInteraction
! TwinTwinInteraction
!--------------------------------------------------------------------------------------------------
function lattice_configNchunks ( struct )
use prec , only : pReal , pInt
implicit none
integer ( pInt ) , dimension ( 6 ) :: lattice_configNchunks
character ( len = * ) , intent ( in ) :: struct
select case ( struct ( 1 : 3 ) ) ! check first three chars of structure name
case ( 'fcc' )
lattice_configNchunks ( 1 ) = count ( lattice_fcc_NslipSystem > 0_pInt )
lattice_configNchunks ( 2 ) = count ( lattice_fcc_NtwinSystem > 0_pInt )
lattice_configNchunks ( 3 ) = maxval ( lattice_fcc_interactionSlipSlip )
lattice_configNchunks ( 4 ) = maxval ( lattice_fcc_interactionSlipTwin )
lattice_configNchunks ( 5 ) = maxval ( lattice_fcc_interactionTwinSlip )
lattice_configNchunks ( 6 ) = maxval ( lattice_fcc_interactionTwinTwin )
case ( 'bcc' )
lattice_configNchunks ( 1 ) = count ( lattice_bcc_NslipSystem > 0_pInt )
lattice_configNchunks ( 2 ) = count ( lattice_bcc_NtwinSystem > 0_pInt )
lattice_configNchunks ( 3 ) = maxval ( lattice_bcc_interactionSlipSlip )
lattice_configNchunks ( 4 ) = maxval ( lattice_bcc_interactionSlipTwin )
lattice_configNchunks ( 5 ) = maxval ( lattice_bcc_interactionTwinSlip )
lattice_configNchunks ( 6 ) = maxval ( lattice_bcc_interactionTwinTwin )
case ( 'hex' )
lattice_configNchunks ( 1 ) = count ( lattice_hex_NslipSystem > 0_pInt )
lattice_configNchunks ( 2 ) = count ( lattice_hex_NtwinSystem > 0_pInt )
lattice_configNchunks ( 3 ) = maxval ( lattice_hex_interactionSlipSlip )
lattice_configNchunks ( 4 ) = maxval ( lattice_hex_interactionSlipTwin )
lattice_configNchunks ( 5 ) = maxval ( lattice_hex_interactionTwinSlip )
lattice_configNchunks ( 6 ) = maxval ( lattice_hex_interactionTwinTwin )
end select
end function lattice_configNchunks
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end module lattice