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DAMASK_EICMD/code/lattice.f90

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Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!--------------------------------------------------------------------------------------------------
!> @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 :: &
Use rotated trans elasticity matrices
2015-10-27 18:02:03 +05:30
LATTICE_maxNslipFamily = 13_pInt, & !< max # of slip system families over lattice structures
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
LATTICE_maxNtwinFamily = 4_pInt, & !< max # of twin system families over lattice structures
LATTICE_maxNtransFamily = 2_pInt, & !< max # of transformation system families over lattice structures
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
LATTICE_maxNcleavageFamily = 3_pInt !< max # of transformation system families over lattice structures
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
integer(pInt), allocatable, dimension(:,:), protected, public :: &
lattice_NslipSystem, & !< total # of slip systems in each family
lattice_NtwinSystem, & !< total # of twin systems in each family
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
lattice_NtransSystem, & !< total # of transformation systems in each family
lattice_NcleavageSystem !< total # of transformation systems in each family
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
integer(pInt), allocatable, dimension(:,:,:), protected, public :: &
lattice_interactionSlipSlip, & !< Slip--slip interaction type
lattice_interactionSlipTwin, & !< Slip--twin interaction type
lattice_interactionTwinSlip, & !< Twin--slip interaction type
Trans interaction matrices
2015-11-09 21:27:20 +05:30
lattice_interactionTwinTwin, & !< Twin--twin interaction type
lattice_interactionSlipTrans, & !< Slip--trans interaction type
lattice_interactionTransSlip, & !< Trans--slip interaction type
lattice_interactionTransTrans !< Trans--trans interaction type
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
real(pReal), allocatable, dimension(:,:,:,:,:), protected, public :: &
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
lattice_Sslip, & !< Schmid and non-Schmid matrices
lattice_Scleavage !< Schmid matrices for cleavage systems
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
real(pReal), allocatable, dimension(:,:,:,:), protected, public :: &
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
lattice_Sslip_v, & !< Mandel notation of lattice_Sslip
lattice_Scleavage_v !< Mandel notation of lattice_Scleavege
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
real(pReal), allocatable, dimension(:,:,:), protected, public :: &
lattice_sn, & !< normal direction of slip system
lattice_sd, & !< slip direction of slip system
lattice_st !< sd x sn
! rotation and Schmid matrices, normal, shear direction and d x n of twin systems
real(pReal), allocatable, dimension(:,:,:,:), protected, public :: &
lattice_Stwin, &
lattice_Qtwin
real(pReal), allocatable, dimension(:,:,:), protected, public :: &
lattice_Stwin_v, &
lattice_tn, &
lattice_td, &
lattice_tt
real(pReal), allocatable, dimension(:,:,:), protected, public :: &
Characteristic transformation shear
2015-11-17 20:20:59 +05:30
lattice_Strans_v, & !< Eigendeformation tensor in vector form
Added projection matrix for strain-induced transformation
2014-09-12 14:40:19 +05:30
lattice_projectionTrans !< Matrix for projection of slip to fault-band (twin) systems for strain-induced martensite nucleation
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
real(pReal), allocatable, dimension(:,:,:,:), protected, public :: &
Added projection matrix for strain-induced transformation
2014-09-12 14:40:19 +05:30
lattice_Qtrans, & !< Total rotation: Q = R*B
Removed unnecessary variables
2015-06-10 17:42:03 +05:30
lattice_Strans !< Eigendeformation tensor for phase transformation
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
real(pReal), allocatable, dimension(:,:), protected, public :: &
Characteristic transformation shear
2015-11-17 20:20:59 +05:30
lattice_shearTwin, & !< characteristic twin shear
lattice_shearTrans !< characteristic transformation shear
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
integer(pInt), allocatable, dimension(:), protected, public :: &
lattice_NnonSchmid !< total # of non-Schmid contributions for each structure
!--------------------------------------------------------------------------------------------------
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
! face centered cubic
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
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
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
LATTICE_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< # of twin systems per family for fcc
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
LATTICE_fcc_NtransSystem = int([12, 0],pInt) !< # of transformation systems per family for fcc
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
LATTICE_fcc_NcleavageSystem = int([3, 4, 0],pInt) !< # of cleavage systems per family for fcc
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
integer(pInt), parameter, private :: &
ifort 15.0 is not capable of simple definition
2016-04-26 11:41:55 +05:30
LATTICE_fcc_Nslip = 12_pInt, & !sum(lattice_fcc_NslipSystem), & !< total # of slip systems for fcc
LATTICE_fcc_Ntwin = 12_pInt, & !sum(lattice_fcc_NtwinSystem), & !< total # of twin systems for fcc
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
LATTICE_fcc_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for fcc
ifort 15.0 is not capable of simple definition
2016-04-26 11:41:55 +05:30
LATTICE_fcc_Ntrans = 12_pInt, & !sum(lattice_fcc_NtransSystem), & !< total # of transformation systems for fcc
LATTICE_fcc_Ncleavage = 7_pInt !sum(lattice_fcc_NcleavageSystem) !< total # of cleavage systems for fcc
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
real(pReal), dimension(3+3,LATTICE_fcc_Nslip), parameter, private :: &
LATTICE_fcc_systemSlip = reshape(real([&
! Slip direction Plane normal
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 &
],pReal),[ 3_pInt + 3_pInt,LATTICE_fcc_Nslip]) !< Slip system <110>{111} directions. Sorted according to Eisenlohr & Hantcherli
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
Trans interaction matrices
2015-11-09 21:27:20 +05:30
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])
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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
Trans interaction matrices
2015-11-09 21:27:20 +05:30
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
Characteristic transformation shear
2015-11-17 20:20:59 +05:30
real(pReal), dimension(LATTICE_fcc_Ntrans), parameter, private :: &
LATTICE_fccTohex_shearTrans = sqrt(2.0_pReal)/4.0_pReal
Pitsch orientation relationship for phase transformation
2014-08-29 18:33:48 +05:30
real(pReal), dimension(4,LATTICE_fcc_Ntrans), parameter, private :: &
Renamed variables to denote fcc to bcc transformation
2015-06-22 14:03:48 +05:30
LATTICE_fccTobcc_systemTrans = reshape([&
Pitsch orientation relationship for phase transformation
2014-08-29 18:33:48 +05:30
0.0, 1.0, 0.0, 10.26, & ! Pitsch OR (Ma & Hartmaier 2014, Table 3)
0.0, 1.0, 0.0, -10.26, &
0.0, 0.0, 1.0, 10.26, &
0.0, 0.0, 1.0, -10.26, &
1.0, 0.0, 0.0, 10.26, &
1.0, 0.0, 0.0, -10.26, &
0.0, 0.0, 1.0, 10.26, &
0.0, 0.0, 1.0, -10.26, &
1.0, 0.0, 0.0, 10.26, &
1.0, 0.0, 0.0, -10.26, &
0.0, 1.0, 0.0, 10.26, &
0.0, 1.0, 0.0, -10.26 &
intel fortran behaves strange for standard check: https://software.intel.com/en-us/forums/topic/506419 worked around that
2014-09-11 21:32:05 +05:30
],[ 4_pInt,LATTICE_fcc_Ntrans])
Pitsch orientation relationship for phase transformation
2014-08-29 18:33:48 +05:30
Cleaner way of calculating the Bain strain
2014-09-01 16:17:48 +05:30
integer(pInt), dimension(9,LATTICE_fcc_Ntrans), parameter, private :: &
Renamed variables to denote fcc to bcc transformation
2015-06-22 14:03:48 +05:30
LATTICE_fccTobcc_bainVariant = reshape(int( [&
Added projection matrix for strain-induced transformation
2014-09-12 14:40:19 +05:30
1, 0, 0, 0, 1, 0, 0, 0, 1, & ! Pitsch OR (Ma & Hartmaier 2014, Table 3)
Cleaner way of calculating the Bain strain
2014-09-01 16:17:48 +05:30
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, &
0, 0, 1, 1, 0, 0, 0, 1, 0 &
],pInt),[ 9_pInt, LATTICE_fcc_Ntrans])
Pitsch orientation relationship for phase transformation
2014-08-29 18:33:48 +05:30
real(pReal), dimension(4,LATTICE_fcc_Ntrans), parameter, private :: &
Renamed variables to denote fcc to bcc transformation
2015-06-22 14:03:48 +05:30
LATTICE_fccTobcc_bainRot = reshape([&
Added projection matrix for strain-induced transformation
2014-09-12 14:40:19 +05:30
1.0, 0.0, 0.0, 45.0, & ! Rotate fcc austensite to bain variant
1.0, 0.0, 0.0, 45.0, &
1.0, 0.0, 0.0, 45.0, &
1.0, 0.0, 0.0, 45.0, &
0.0, 1.0, 0.0, 45.0, &
0.0, 1.0, 0.0, 45.0, &
0.0, 1.0, 0.0, 45.0, &
0.0, 1.0, 0.0, 45.0, &
0.0, 0.0, 1.0, 45.0, &
0.0, 0.0, 1.0, 45.0, &
0.0, 0.0, 1.0, 45.0, &
0.0, 0.0, 1.0, 45.0 &
],[ 4_pInt,LATTICE_fcc_Ntrans])
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
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
Added projection matrix for strain-induced transformation
2014-09-12 14:40:19 +05:30
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, 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 &
comparison for zero should be abs: a == 0.0_pReal becomes abs(a) <= tiny(a) a /= 0.0_pReal becomes abs(a) > tiny(a) remove unused variables
2015-04-11 13:55:23 +05:30
],pReal),[LATTICE_fcc_Ntrans,LATTICE_fcc_Ntrans],order=[2,1])
Renaming transformation input variables to more logical names
2014-09-23 21:08:41 +05:30
real(pReal), parameter, private :: &
Renamed variables to denote fcc to bcc transformation
2015-06-22 14:03:48 +05:30
LATTICE_fccTobcc_projectionTransFactor = sqrt(3.0_pReal/4.0_pReal)
Renaming transformation input variables to more logical names
2014-09-23 21:08:41 +05:30
real(pReal), parameter, public :: &
Renamed variables to denote fcc to bcc transformation
2015-06-22 14:03:48 +05:30
LATTICE_fccTobcc_shearCritTrans = 0.0224
Added projection matrix for strain-induced transformation
2014-09-12 14:40:19 +05:30
integer(pInt), dimension(2_pInt,LATTICE_fcc_Ntrans), parameter, public :: &
Renamed variables to denote fcc to bcc transformation
2015-06-22 14:03:48 +05:30
LATTICE_fccTobcc_transNucleationTwinPair = reshape(int( [&
Added projection matrix for strain-induced transformation
2014-09-12 14:40:19 +05:30
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])
fcc to hex orientation relationship (Shoji-Nishiyama)
2015-06-22 19:17:15 +05:30
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
real(pReal), dimension(3+3,LATTICE_fcc_Ncleavage), parameter, private :: &
LATTICE_fcc_systemCleavage = reshape(real([&
! Cleavage direction Plane normal
nicer permutation of cleavage planes
2014-11-01 00:07:37 +05:30
0, 1, 0, 1, 0, 0, &
0, 0, 1, 0, 1, 0, &
1, 0, 0, 0, 0, 1, &
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
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])
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!--------------------------------------------------------------------------------------------------
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
! body centered cubic
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
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
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
LATTICE_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt) !< # of twin systems per family for bcc
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
LATTICE_bcc_NtransSystem = int([0,0],pInt) !< # of transformation systems per family for bcc
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
LATTICE_bcc_NcleavageSystem = int([3,6,0],pInt) !< # of cleavage systems per family for bcc
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
integer(pInt), parameter, private :: &
ifort 15.0 is not capable of simple definition
2016-04-26 11:41:55 +05:30
LATTICE_bcc_Nslip = 24_pInt, & !sum(lattice_bcc_NslipSystem), & !< total # of slip systems for bcc
LATTICE_bcc_Ntwin = 12_pInt, & !sum(lattice_bcc_NtwinSystem), & !< total # of twin systems for bcc
avoid error prone definition of derived quantities
2016-03-25 15:33:56 +05:30
LATTICE_bcc_NnonSchmid = 6_pInt, & !< total # of non-Schmid contributions for bcc (A. Koester, A. Ma, A. Hartmaier 2012)
ifort 15.0 is not capable of simple definition
2016-04-26 11:41:55 +05:30
LATTICE_bcc_Ntrans = 0_pInt, & !sum(lattice_bcc_NtransSystem), & !< total # of transformation systems for bcc
LATTICE_bcc_Ncleavage = 9_pInt !sum(lattice_bcc_NcleavageSystem) !< total # of cleavage systems for bcc
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
real(pReal), dimension(3+3,LATTICE_bcc_Nslip), parameter, private :: &
LATTICE_bcc_systemSlip = reshape(real([&
! Slip direction Plane normal
! Slip system <111>{110}
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])
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])
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( [&
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
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, & ! |
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, &
!
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
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
real(pReal), dimension(3+3,LATTICE_bcc_Ncleavage), parameter, private :: &
LATTICE_bcc_systemCleavage = reshape(real([&
! Cleavage direction Plane normal
nicer permutation of cleavage planes
2014-11-01 00:07:37 +05:30
0, 1, 0, 1, 0, 0, &
0, 0, 1, 0, 1, 0, &
1, 0, 0, 0, 0, 1, &
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
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])
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!--------------------------------------------------------------------------------------------------
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
! hexagonal
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
avoid error prone definition of derived quantities
2016-03-25 15:33:56 +05:30
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
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
lattice_hex_NtwinSystem = int([ 6, 6, 6, 6],pInt) !< # of slip systems per family for hex
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
LATTICE_hex_NtransSystem = int([0,0],pInt) !< # of transformation systems per family for hex
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
LATTICE_hex_NcleavageSystem = int([3,0,0],pInt) !< # of cleavage systems per family for hex
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
avoid error prone definition of derived quantities
2016-03-25 15:33:56 +05:30
integer(pInt), parameter, private :: &
ifort 15.0 is not capable of simple definition
2016-04-26 11:41:55 +05:30
LATTICE_hex_Nslip = 33_pInt, & !sum(lattice_hex_NslipSystem), & !< total # of slip systems for hex
LATTICE_hex_Ntwin = 24_pInt, & !sum(lattice_hex_NtwinSystem), & !< total # of twin systems for hex
detabbing
2016-04-11 23:25:55 +05:30
LATTICE_hex_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for hex
ifort 15.0 is not capable of simple definition
2016-04-26 11:41:55 +05:30
LATTICE_hex_Ntrans = 0_pInt, & !sum(lattice_hex_NtransSystem), & !< total # of transformation systems for hex
LATTICE_hex_Ncleavage = 3_pInt !sum(lattice_hex_NcleavageSystem) !< total # of cleavage systems for hex
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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, &
! pyramidal system: c+a slip <11.3>{-1-1.2} -- as for hexagonal ice (Castelnau et al. 1996, similar to twin system found below)
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
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 &
],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
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])
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, &
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 &
!
added lattice for (bct) beta- Sn.
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)
Fixed issue with previous commit
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
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, &
!
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 &
!
],pInt),[LATTICE_hex_Nslip,LATTICE_hex_Ntwin],order=[2,1]) !< Slip--twin interaction types for hex (isotropic, 24 in total)
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)
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
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])
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
!--------------------------------------------------------------------------------------------------
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
! body centered tetragonal
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
commented and respected compiler warning
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
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
LATTICE_bct_NtwinSystem = int([0, 0, 0, 0], pInt) !< # of twin systems per family for bct
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
integer(pInt), dimension(LATTICE_maxNtransFamily), parameter, public :: &
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
LATTICE_bct_NtransSystem = int([0,0],pInt) !< # of transformation systems per family for bct
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
LATTICE_bct_NcleavageSystem = int([0,0,0],pInt) !< # of cleavage systems per family for bct
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
avoid error prone definition of derived quantities
2016-03-25 15:33:56 +05:30
integer(pInt), parameter, private :: &
ifort 15.0 is not capable of simple definition
2016-04-26 11:41:55 +05:30
LATTICE_bct_Nslip = 52_pInt, & !sum(lattice_bct_NslipSystem), & !< total # of slip systems for bct
LATTICE_bct_Ntwin = 0_pInt, & !sum(lattice_bct_NtwinSystem), & !< total # of twin systems for bct
detabbing
2016-04-11 23:25:55 +05:30
LATTICE_bct_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for bct
ifort 15.0 is not capable of simple definition
2016-04-26 11:41:55 +05:30
LATTICE_bct_Ntrans = 0_pInt, & !sum(lattice_bct_NtransSystem), & !< total # of transformation systems for bct
LATTICE_bct_Ncleavage = 0_pInt !sum(lattice_bct_NcleavageSystem) !< total # of cleavage systems for bct
added lattice for (bct) beta- Sn.
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, &
! slip family 3 {100)<010]
0, 1, 0, 1, 0, 0, &
1, 0, 0, 0, 1, 0, &
added all 13 slip families for bct(beta)-Sn increased the allowable columns for lattice.f90 to allow for the large interaction matrix.
2015-09-23 00:12:23 +05:30
! Slip family 4 {110)<1-11]/2
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
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, &
! Slip family 6 {100)<011]
0, 1, 1, 1, 0, 0, &
0,-1, 1, 1, 0, 0, &
-1, 0, 1, 0, 1, 0, &
1, 0, 1, 0, 1, 0, &
! Slip family 7 {001)<010]
0, 1, 0, 0, 0, 1, &
1, 0, 0, 0, 0, 1, &
! Slip family 8 {001)<110]
1, 1, 0, 0, 0, 1, &
-1, 1, 0, 0, 0, 1, &
! Slip family 9 {011)<01-1]
0, 1,-1, 0, 1, 1, &
0,-1,-1, 0,-1, 1, &
-1, 0,-1, -1, 0, 1, &
1, 0,-1, 1, 0, 1, &
added all 13 slip families for bct(beta)-Sn increased the allowable columns for lattice.f90 to allow for the large interaction matrix.
2015-09-23 00:12:23 +05:30
! Slip family 10 {011)<1-11]/2
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, &
! Slip family 11 {011)<100]
1, 0, 0, 0, 1, 1, &
1, 0, 0, 0, 1,-1, &
0, 1, 0, 1, 0, 1, &
0, 1, 0, 1, 0,-1, &
! Slip family 12 {211)<01-1]
added lattice for (bct) beta- Sn.
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, &
-1, 0,-1, -1, 2, 1, &
0, 1,-1, -2, 1, 1, &
0,-1,-1, -2,-1, 1, &
-1, 0,-1, -1,-2, 1, &
added all 13 slip families for bct(beta)-Sn increased the allowable columns for lattice.f90 to allow for the large interaction matrix.
2015-09-23 00:12:23 +05:30
1, 0,-1, 1,-2, 1, &
! Slip family 13 {211)<-111]/2
-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, -2, 1, 1, &
1,-1, 1, -2,-1, 1, &
-1, 1, 1, -1,-2, 1, &
1, 1, 1, 1,-2, 1 &
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
],pReal),[ 3_pInt + 3_pInt,LATTICE_bct_Nslip]) !< slip systems for bct sorted by Bieler
integer(pInt), dimension(LATTICE_bct_Nslip,LATTICE_bct_Nslip), parameter, public :: &
LATTICE_bct_interactionSlipSlip = reshape(int( [&
added all 13 slip families for bct(beta)-Sn increased the allowable columns for lattice.f90 to allow for the large interaction matrix.
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, &
save some space
2015-07-02 15:15:25 +05:30
!
added all 13 slip families for bct(beta)-Sn increased the allowable columns for lattice.f90 to allow for the large interaction matrix.
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, &
save some space
2015-07-02 15:15:25 +05:30
!
added all 13 slip families for bct(beta)-Sn increased the allowable columns for lattice.f90 to allow for the large interaction matrix.
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, &
save some space
2015-07-02 15:15:25 +05:30
!
added all 13 slip families for bct(beta)-Sn increased the allowable columns for lattice.f90 to allow for the large interaction matrix.
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, &
save some space
2015-07-02 15:15:25 +05:30
!
added all 13 slip families for bct(beta)-Sn increased the allowable columns for lattice.f90 to allow for the large interaction matrix.
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, &
save some space
2015-07-02 15:15:25 +05:30
!
added all 13 slip families for bct(beta)-Sn increased the allowable columns for lattice.f90 to allow for the large interaction matrix.
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, &
save some space
2015-07-02 15:15:25 +05:30
!
added all 13 slip families for bct(beta)-Sn increased the allowable columns for lattice.f90 to allow for the large interaction matrix.
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, &
save some space
2015-07-02 15:15:25 +05:30
!
added all 13 slip families for bct(beta)-Sn increased the allowable columns for lattice.f90 to allow for the large interaction matrix.
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, &
save some space
2015-07-02 15:15:25 +05:30
!
added all 13 slip families for bct(beta)-Sn increased the allowable columns for lattice.f90 to allow for the large interaction matrix.
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, &
save some space
2015-07-02 15:15:25 +05:30
!
added all 13 slip families for bct(beta)-Sn increased the allowable columns for lattice.f90 to allow for the large interaction matrix.
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 &
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
],pInt),[lattice_bct_Nslip,lattice_bct_Nslip],order=[2,1])
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
!--------------------------------------------------------------------------------------------------
! isotropic
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
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 :: &
LATTICE_iso_NtransSystem = int([0, 0],pInt) !< # of transformation systems per family for iso
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
LATTICE_iso_NcleavageSystem = int([3,0,0],pInt) !< # of cleavage systems per family for iso
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
integer(pInt), parameter, private :: &
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
LATTICE_iso_Nslip = 0_pInt, & !sum(lattice_iso_NslipSystem), & !< total # of slip systems for iso
LATTICE_iso_Ntwin = 0_pInt, & !sum(lattice_iso_NtwinSystem), & !< total # of twin systems for iso
LATTICE_iso_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for iso
LATTICE_iso_Ntrans = 0_pInt, & !sum(lattice_iso_NtransSystem), & !< total # of transformation systems for iso
LATTICE_iso_Ncleavage = 3_pInt !sum(lattice_iso_NcleavageSystem) !< total # of cleavage systems for iso
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
real(pReal), dimension(3+3,LATTICE_iso_Ncleavage), parameter, private :: &
LATTICE_iso_systemCleavage = reshape(real([&
! Cleavage direction Plane normal
nicer permutation of cleavage planes
2014-11-01 00:07:37 +05:30
0, 1, 0, 1, 0, 0, &
0, 0, 1, 0, 1, 0, &
1, 0, 0, 0, 0, 1 &
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
],pReal),[ 3_pInt + 3_pInt,LATTICE_iso_Ncleavage])
!--------------------------------------------------------------------------------------------------
! orthorhombic
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
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 :: &
LATTICE_ortho_NtransSystem = int([0, 0],pInt) !< # of transformation systems per family for ortho
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
integer(pInt), dimension(LATTICE_maxNcleavageFamily), parameter, public :: &
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
LATTICE_ortho_NcleavageSystem = int([1,1,1],pInt) !< # of cleavage systems per family for ortho
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
integer(pInt), parameter, private :: &
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
LATTICE_ortho_Nslip = 0_pInt, & !sum(lattice_ortho_NslipSystem), & !< total # of slip systems for ortho
LATTICE_ortho_Ntwin = 0_pInt, & !sum(lattice_ortho_NtwinSystem), & !< total # of twin systems for ortho
LATTICE_ortho_NnonSchmid = 0_pInt, & !< total # of non-Schmid contributions for ortho
LATTICE_ortho_Ntrans = 0_pInt, & !sum(lattice_ortho_NtransSystem), & !< total # of transformation systems for ortho
LATTICE_ortho_Ncleavage = 3_pInt !sum(lattice_ortho_NcleavageSystem) !< total # of cleavage systems for ortho
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
real(pReal), dimension(3+3,LATTICE_ortho_Ncleavage), parameter, private :: &
LATTICE_ortho_systemCleavage = reshape(real([&
! Cleavage direction Plane normal
nicer permutation of cleavage planes
2014-11-01 00:07:37 +05:30
0, 1, 0, 1, 0, 0, &
0, 0, 1, 0, 1, 0, &
1, 0, 0, 0, 0, 1 &
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
],pReal),[ 3_pInt + 3_pInt,LATTICE_ortho_Ncleavage])
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
integer(pInt), parameter, public :: &
LATTICE_maxNslip = 52_pInt, &
!LATTICE_maxNslip = maxval([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 = 24_pInt, &
!LATTICE_maxNtwin = maxval([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 = 6_pInt, &
!LATTICE_maxNtwin = maxval([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 = 12_pInt, &
!LATTICE_maxNtrans = maxval([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 = 9_pInt, &
!LATTICE_maxNcleavage = maxval([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
LATTICE_maxNinteraction = 182_pInt !< max # of interaction types (in hardening matrix part)
avoid error prone definition of derived quantities
2016-03-25 15:33:56 +05:30
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
Read in elastic constants for transformed phase
2015-07-07 18:53:56 +05:30
lattice_C66, lattice_trans_C66
avoid error prone definition of derived quantities
2016-03-25 15:33:56 +05:30
real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: &
Read in elastic constants for transformed phase
2015-07-07 18:53:56 +05:30
lattice_C3333, lattice_trans_C3333
avoid error prone definition of derived quantities
2016-03-25 15:33:56 +05:30
real(pReal), dimension(:), allocatable, public, protected :: &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
lattice_mu, &
Read in elastic constants for transformed phase
2015-07-07 18:53:56 +05:30
lattice_nu, &
lattice_trans_mu, &
lattice_trans_nu
avoid error prone definition of derived quantities
2016-03-25 15:33:56 +05:30
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
lattice_thermalConductivity33, &
lattice_thermalExpansion33, &
implemented possibly diffusive vacancy physics. to be coupled with micro void nucleation and ductile damage
2014-10-11 02:25:09 +05:30
lattice_damageDiffusion33, &
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
lattice_vacancyfluxDiffusion33, &
lattice_vacancyfluxMobility33, &
lattice_porosityDiffusion33, &
lattice_hydrogenfluxDiffusion33, &
lattice_hydrogenfluxMobility33
avoid error prone definition of derived quantities
2016-03-25 15:33:56 +05:30
real(pReal), dimension(:), allocatable, public, protected :: &
added funtions to get averged properties at integration points.
2014-09-10 14:07:12 +05:30
lattice_damageMobility, &
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
lattice_porosityMobility, &
added funtions to get averged properties at integration points.
2014-09-10 14:07:12 +05:30
lattice_massDensity, &
lattice_specificHeat, &
moved some phase field parameters to lattice
2015-06-11 14:31:37 +05:30
lattice_vacancyFormationEnergy, &
lattice_vacancySurfaceEnergy, &
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
lattice_vacancyVol, &
moved some phase field parameters to lattice
2015-06-11 14:31:37 +05:30
lattice_hydrogenFormationEnergy, &
lattice_hydrogenSurfaceEnergy, &
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
lattice_hydrogenVol, &
implemented possibly diffusive vacancy physics. to be coupled with micro void nucleation and ductile damage
2014-10-11 02:25:09 +05:30
lattice_referenceTemperature, &
initialise Fi correctly for initial field values away from equilibrium
2015-07-24 20:17:18 +05:30
lattice_equilibriumVacancyConcentration, &
lattice_equilibriumHydrogenConcentration
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
enum, bind(c)
enumerator :: LATTICE_undefined_ID, &
LATTICE_iso_ID, &
LATTICE_fcc_ID, &
LATTICE_bcc_ID, &
LATTICE_hex_ID, &
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
LATTICE_bct_ID, &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
LATTICE_ort_ID
end enum
integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public, protected :: &
Added keyword to specify transformed lattice structure
2015-06-11 13:53:27 +05:30
lattice_structure, trans_lattice_structure
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
integer(pInt), dimension(2), parameter, private :: &
lattice_NsymOperations = [24_pInt,12_pInt]
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, &
small polishing
2015-11-11 02:48:13 +05:30
!
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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
! use this later on to substitute the matrix above
! if self.lattice == 'cubic':
! symQuats = [
! [ 1.0,0.0,0.0,0.0 ],
! [ 0.0,1.0,0.0,0.0 ],
! [ 0.0,0.0,1.0,0.0 ],
! [ 0.0,0.0,0.0,1.0 ],
! [ 0.0, 0.0, 0.5*math.sqrt(2), 0.5*math.sqrt(2) ],
! [ 0.0, 0.0, 0.5*math.sqrt(2),-0.5*math.sqrt(2) ],
! [ 0.0, 0.5*math.sqrt(2), 0.0, 0.5*math.sqrt(2) ],
! [ 0.0, 0.5*math.sqrt(2), 0.0,-0.5*math.sqrt(2) ],
! [ 0.0, 0.5*math.sqrt(2),-0.5*math.sqrt(2), 0.0 ],
! [ 0.0,-0.5*math.sqrt(2),-0.5*math.sqrt(2), 0.0 ],
! [ 0.5, 0.5, 0.5, 0.5 ],
! [-0.5, 0.5, 0.5, 0.5 ],
! [-0.5, 0.5, 0.5,-0.5 ],
! [-0.5, 0.5,-0.5, 0.5 ],
! [-0.5,-0.5, 0.5, 0.5 ],
! [-0.5,-0.5, 0.5,-0.5 ],
! [-0.5,-0.5,-0.5, 0.5 ],
! [-0.5, 0.5,-0.5,-0.5 ],
! [-0.5*math.sqrt(2), 0.0, 0.0, 0.5*math.sqrt(2) ],
! [ 0.5*math.sqrt(2), 0.0, 0.0, 0.5*math.sqrt(2) ],
! [-0.5*math.sqrt(2), 0.0, 0.5*math.sqrt(2), 0.0 ],
! [-0.5*math.sqrt(2), 0.0,-0.5*math.sqrt(2), 0.0 ],
! [-0.5*math.sqrt(2), 0.5*math.sqrt(2), 0.0, 0.0 ],
! [-0.5*math.sqrt(2),-0.5*math.sqrt(2), 0.0, 0.0 ],
! ]
! elif self.lattice == 'hexagonal':
! symQuats = [
! [ 1.0,0.0,0.0,0.0 ],
! [ 0.0,1.0,0.0,0.0 ],
! [ 0.0,0.0,1.0,0.0 ],
! [ 0.0,0.0,0.0,1.0 ],
! [-0.5*math.sqrt(3), 0.0, 0.0, 0.5 ],
! [-0.5*math.sqrt(3), 0.0, 0.0,-0.5 ],
! [ 0.0, 0.5*math.sqrt(3), 0.5, 0.0 ],
! [ 0.0,-0.5*math.sqrt(3), 0.5, 0.0 ],
! [ 0.0, 0.5,-0.5*math.sqrt(3), 0.0 ],
! [ 0.0,-0.5,-0.5*math.sqrt(3), 0.0 ],
! [ 0.5, 0.0, 0.0, 0.5*math.sqrt(3) ],
! [-0.5, 0.0, 0.0, 0.5*math.sqrt(3) ],
! ]
! elif self.lattice == 'tetragonal':
! symQuats = [
! [ 1.0,0.0,0.0,0.0 ],
! [ 0.0,1.0,0.0,0.0 ],
! [ 0.0,0.0,1.0,0.0 ],
! [ 0.0,0.0,0.0,1.0 ],
! [ 0.0, 0.5*math.sqrt(2), 0.5*math.sqrt(2), 0.0 ],
! [ 0.0,-0.5*math.sqrt(2), 0.5*math.sqrt(2), 0.0 ],
! [ 0.5*math.sqrt(2), 0.0, 0.0, 0.5*math.sqrt(2) ],
! [-0.5*math.sqrt(2), 0.0, 0.0, 0.5*math.sqrt(2) ],
! ]
! elif self.lattice == 'orthorhombic':
! symQuats = [
! [ 1.0,0.0,0.0,0.0 ],
! [ 0.0,1.0,0.0,0.0 ],
! [ 0.0,0.0,1.0,0.0 ],
! [ 0.0,0.0,0.0,1.0 ],
! ]
! else:
! symQuats = [
! [ 1.0,0.0,0.0,0.0 ],
! ]
public :: &
lattice_init, &
lattice_qDisorientation, &
LATTICE_fcc_ID, &
LATTICE_bcc_ID, &
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
LATTICE_bct_ID, &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
LATTICE_hex_ID
contains
!--------------------------------------------------------------------------------------------------
!> @brief Module initialization
!--------------------------------------------------------------------------------------------------
subroutine lattice_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use IO, only: &
IO_open_file,&
IO_open_jobFile_stat, &
IO_countSections, &
IO_error, &
IO_timeStamp, &
IO_EOF, &
IO_read, &
IO_lc, &
IO_getTag, &
IO_isBlank, &
IO_stringPos, &
IO_stringValue, &
removed double entry in use list
2015-06-16 13:27:42 +05:30
IO_floatValue
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
use material, only: &
material_configfile, &
material_localFileExt, &
material_partPhase
use debug, only: &
debug_level, &
debug_lattice, &
debug_levelBasic
only output from the root processor for parallel runs
2014-10-10 01:53:06 +05:30
use numerics, only: &
worldrank
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
implicit none
integer(pInt), parameter :: FILEUNIT = 200_pInt
integer(pInt) :: Nphases
character(len=65536) :: &
tag = '', &
line = ''
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
integer(pInt), allocatable, dimension(:) :: chunkPos
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
integer(pInt) :: section = 0_pInt,i
real(pReal), dimension(:), allocatable :: &
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
CoverA, & !!!!!!< c/a ratio for low symmetry type lattice
Read in c/a ratio for transformed hcp phase
2015-06-12 14:29:39 +05:30
CoverA_trans, & !< c/a ratio for transformed hex type lattice
Removed unused variables and renamed some variables for TRIP model
2015-06-08 15:06:52 +05:30
a_fcc, & !< lattice parameter a for fcc austenite
a_bcc !< lattice paramater a for bcc martensite
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
updated MPI reporting in line with recent changes
2014-10-10 21:51:10 +05:30
mainProcess: if (worldrank == 0) then
write(6,'(/,a)') ' <<<+- lattice init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
#include "compilation_info.f90"
updated MPI reporting in line with recent changes
2014-10-10 21:51:10 +05:30
endif mainProcess
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!--------------------------------------------------------------------------------------------------
fixed some missing "sum" initialisers, prepared more self consistent variable definitions for future use (ifort > 15.0)
2016-04-26 13:05:42 +05:30
! consistency checks (required since ifort 15.0 does not support sum/maxval in parameter definition)
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
if (LATTICE_maxNslip /= maxval([LATTICE_fcc_Nslip,LATTICE_bcc_Nslip,LATTICE_hex_Nslip,LATTICE_bct_Nslip])) &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNslip')
if (LATTICE_maxNtwin /= maxval([LATTICE_fcc_Ntwin,LATTICE_bcc_Ntwin,LATTICE_hex_Ntwin])) &
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNtwin')
small polishing
2014-10-02 02:06:00 +05:30
if (LATTICE_maxNtrans /= maxval([LATTICE_fcc_Ntrans,LATTICE_bcc_Ntrans,LATTICE_hex_Ntrans])) &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNtrans')
if (LATTICE_maxNnonSchmid /= maxval([lattice_fcc_NnonSchmid,lattice_bcc_NnonSchmid,&
lattice_hex_NnonSchmid])) call IO_error(0_pInt,ext_msg = 'LATTICE_maxNnonSchmid')
if (LATTICE_fcc_Nslip /= sum(lattice_fcc_NslipSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Nslip')
if (LATTICE_bcc_Nslip /= sum(lattice_bcc_NslipSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Nslip')
if (LATTICE_hex_Nslip /= sum(lattice_hex_NslipSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Nslip')
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
if (LATTICE_bct_Nslip /= sum(lattice_bct_NslipSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bct_Nslip')
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
if (LATTICE_fcc_Ntwin /= sum(lattice_fcc_NtwinSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Ntwin')
if (LATTICE_bcc_Ntwin /= sum(lattice_bcc_NtwinSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Ntwin')
if (LATTICE_hex_Ntwin /= sum(lattice_hex_NtwinSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Ntwin')
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
if (LATTICE_bct_Ntwin /= sum(lattice_bct_NtwinSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bct_Ntwin')
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
if (LATTICE_fcc_Ntrans /= sum(lattice_fcc_NtransSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Ntrans')
if (LATTICE_bcc_Ntrans /= sum(lattice_bcc_NtransSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Ntrans')
if (LATTICE_hex_Ntrans /= sum(lattice_hex_NtransSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Ntrans')
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
if (LATTICE_bct_Ntrans /= sum(lattice_bct_NtransSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bct_Ntrans')
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
if (LATTICE_fcc_Ncleavage /= sum(lattice_fcc_NcleavageSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_fcc_Ncleavage')
if (LATTICE_bcc_Ncleavage /= sum(lattice_bcc_NcleavageSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bcc_Ncleavage')
if (LATTICE_hex_Ncleavage /= sum(lattice_hex_NcleavageSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_hex_Ncleavage')
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
if (LATTICE_bct_Ncleavage /= sum(lattice_bct_NcleavageSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_bct_Ncleavage')
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
if (LATTICE_iso_Ncleavage /= sum(lattice_iso_NcleavageSystem)) &
call IO_error(0_pInt,ext_msg = 'LATTICE_iso_Ncleavage')
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
if (LATTICE_maxNinteraction /= max(&
maxval(lattice_fcc_interactionSlipSlip), &
maxval(lattice_bcc_interactionSlipSlip), &
maxval(lattice_hex_interactionSlipSlip), &
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
maxval(lattice_bct_interactionSlipSlip), &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!
maxval(lattice_fcc_interactionSlipTwin), &
maxval(lattice_bcc_interactionSlipTwin), &
maxval(lattice_hex_interactionSlipTwin), &
fixed missing structure type in material.config, small changes in the other code
2015-12-15 20:00:17 +05:30
! maxval(lattice_bct_interactionSlipTwin), &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!
maxval(lattice_fcc_interactionTwinSlip), &
maxval(lattice_bcc_interactionTwinSlip), &
maxval(lattice_hex_interactionTwinSlip), &
fixed missing structure type in material.config, small changes in the other code
2015-12-15 20:00:17 +05:30
! maxval(lattice_bct_interactionTwinSlip), &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!
maxval(lattice_fcc_interactionTwinTwin), &
maxval(lattice_bcc_interactionTwinTwin), &
maxval(lattice_hex_interactionTwinTwin))) &
fixed missing structure type in material.config, small changes in the other code
2015-12-15 20:00:17 +05:30
! maxval(lattice_bct_interactionTwinTwin))) &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
call IO_error(0_pInt,ext_msg = 'LATTICE_maxNinteraction')
!--------------------------------------------------------------------------------------------------
! read from material configuration file
if (.not. IO_open_jobFile_stat(FILEUNIT,material_localFileExt)) & ! no local material configuration present...
call IO_open_file(FILEUNIT,material_configFile) ! ... open material.config file
Nphases = IO_countSections(FILEUNIT,material_partPhase)
if(Nphases<1_pInt) &
call IO_error(160_pInt,Nphases, ext_msg='No phases found')
if (iand(debug_level(debug_lattice),debug_levelBasic) /= 0_pInt) then
write(6,'(a16,1x,i5)') ' # phases:',Nphases
endif
allocate(lattice_structure(Nphases),source = LATTICE_undefined_ID)
Added keyword to specify transformed lattice structure
2015-06-11 13:53:27 +05:30
allocate(trans_lattice_structure(Nphases),source = LATTICE_undefined_ID)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
allocate(lattice_C66(6,6,Nphases), source=0.0_pReal)
allocate(lattice_C3333(3,3,3,3,Nphases), source=0.0_pReal)
Read in elastic constants for transformed phase
2015-07-07 18:53:56 +05:30
allocate(lattice_trans_C66(6,6,Nphases), source=0.0_pReal)
allocate(lattice_trans_C3333(3,3,3,3,Nphases), source=0.0_pReal)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
allocate(lattice_thermalConductivity33 (3,3,Nphases), source=0.0_pReal)
allocate(lattice_thermalExpansion33 (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)
moved some phase field parameters to lattice
2015-06-11 14:31:37 +05:30
allocate(lattice_vacancyFormationEnergy ( Nphases), source=0.0_pReal)
allocate(lattice_vacancySurfaceEnergy ( Nphases), source=0.0_pReal)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
allocate(lattice_vacancyVol ( Nphases), source=0.0_pReal)
moved some phase field parameters to lattice
2015-06-11 14:31:37 +05:30
allocate(lattice_hydrogenFormationEnergy( Nphases), source=0.0_pReal)
allocate(lattice_hydrogenSurfaceEnergy ( Nphases), source=0.0_pReal)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
allocate(lattice_hydrogenVol ( Nphases), source=0.0_pReal)
initialise Fi correctly for initial field values away from equilibrium
2015-07-24 20:17:18 +05:30
allocate(lattice_referenceTemperature ( Nphases), source=300.0_pReal)
implemented possibly diffusive vacancy physics. to be coupled with micro void nucleation and ductile damage
2014-10-11 02:25:09 +05:30
allocate(lattice_equilibriumVacancyConcentration(Nphases), source=0.0_pReal)
initialise Fi correctly for initial field values away from equilibrium
2015-07-24 20:17:18 +05:30
allocate(lattice_equilibriumHydrogenConcentration(Nphases),source=0.0_pReal)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
allocate(lattice_mu(Nphases), source=0.0_pReal)
allocate(lattice_nu(Nphases), source=0.0_pReal)
Read in elastic constants for transformed phase
2015-07-07 18:53:56 +05:30
allocate(lattice_trans_mu(Nphases), source=0.0_pReal)
allocate(lattice_trans_nu(Nphases), source=0.0_pReal)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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)
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
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)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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)
allocate(lattice_Qtwin(3,3,lattice_maxNtwin,Nphases),source=0.0_pReal)
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_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_shearTwin(lattice_maxNtwin,Nphases),source=0.0_pReal)
Characteristic transformation shear
2015-11-17 20:20:59 +05:30
allocate(lattice_shearTrans(lattice_maxNtrans,Nphases),source=0.0_pReal)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
Pitsch orientation relationship for phase transformation
2014-08-29 18:33:48 +05:30
allocate(lattice_Qtrans(3,3,lattice_maxNtrans,Nphases),source=0.0_pReal)
Renamed some variables for consistency
2015-06-08 19:56:50 +05:30
allocate(lattice_Strans(3,3,lattice_maxNtrans,Nphases),source=0.0_pReal)
allocate(lattice_Strans_v(6,lattice_maxNtrans,Nphases),source=0.0_pReal)
Added projection matrix for strain-induced transformation
2014-09-12 14:40:19 +05:30
allocate(lattice_projectionTrans(lattice_maxNtrans,lattice_maxNtrans,Nphases),source=0.0_pReal)
Pitsch orientation relationship for phase transformation
2014-08-29 18:33:48 +05:30
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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)
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
allocate(lattice_NcleavageSystem(lattice_maxNcleavageFamily,Nphases),source=0_pInt)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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
Trans interaction matrices
2015-11-09 21:27:20 +05:30
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
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
allocate(CoverA(Nphases),source=0.0_pReal)
Read in c/a ratio for transformed hcp phase
2015-06-12 14:29:39 +05:30
allocate(CoverA_trans(Nphases),source=0.0_pReal)
Removed unused variables and renamed some variables for TRIP model
2015-06-08 15:06:52 +05:30
allocate(a_fcc(Nphases),source=0.0_pReal)
allocate(a_bcc(Nphases),source=0.0_pReal)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
rewind(fileUnit)
line = '' ! to have it initialized
section = 0_pInt ! - " -
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partPhase) ! wind forward to <Phase>
line = IO_read(fileUnit)
enddo
do while (trim(line) /= IO_EOF) ! read through sections of material part
line = IO_read(fileUnit)
if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') then ! stop at next part
line = IO_read(fileUnit, .true.) ! reset IO_read
exit
endif
if (IO_getTag(line,'[',']') /= '') then ! next section
section = section + 1_pInt
endif
if (section > 0_pInt) then
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
chunkPos = IO_stringPos(line)
tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
select case(tag)
case ('lattice_structure')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
select case(trim(IO_lc(IO_stringValue(line,chunkPos,2_pInt))))
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
case('iso','isotropic')
lattice_structure(section) = LATTICE_iso_ID
case('fcc')
lattice_structure(section) = LATTICE_fcc_ID
case('bcc')
lattice_structure(section) = LATTICE_bcc_ID
case('hex','hexagonal')
lattice_structure(section) = LATTICE_hex_ID
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
case('bct')
lattice_structure(section) = LATTICE_bct_ID
fixed typo 'orthorhombic'
2014-11-03 21:11:05 +05:30
case('ort','orthorhombic')
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
lattice_structure(section) = LATTICE_ort_ID
case default
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
call IO_error(130_pInt,ext_msg=trim(IO_lc(IO_stringValue(line,chunkPos,2_pInt))))
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
end select
Added keyword to specify transformed lattice structure
2015-06-11 13:53:27 +05:30
case('trans_lattice_structure')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
select case(trim(IO_lc(IO_stringValue(line,chunkPos,2_pInt))))
Added keyword to specify transformed lattice structure
2015-06-11 13:53:27 +05:30
case('bcc')
trans_lattice_structure(section) = LATTICE_bcc_ID
case('hex','hexagonal','hcp')
trans_lattice_structure(section) = LATTICE_hex_ID
end select
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
case ('c11')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_C66(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
case ('c12')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_C66(1,2,section) = IO_floatValue(line,chunkPos,2_pInt)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
case ('c13')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_C66(1,3,section) = IO_floatValue(line,chunkPos,2_pInt)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
case ('c22')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_C66(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
case ('c23')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_C66(2,3,section) = IO_floatValue(line,chunkPos,2_pInt)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
case ('c33')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_C66(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
case ('c44')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_C66(4,4,section) = IO_floatValue(line,chunkPos,2_pInt)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
case ('c55')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_C66(5,5,section) = IO_floatValue(line,chunkPos,2_pInt)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
case ('c66')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_C66(6,6,section) = IO_floatValue(line,chunkPos,2_pInt)
Read in elastic constants for transformed phase
2015-07-07 18:53:56 +05:30
case ('c11_trans')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_trans_C66(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
Read in elastic constants for transformed phase
2015-07-07 18:53:56 +05:30
case ('c12_trans')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_trans_C66(1,2,section) = IO_floatValue(line,chunkPos,2_pInt)
Read in elastic constants for transformed phase
2015-07-07 18:53:56 +05:30
case ('c13_trans')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_trans_C66(1,3,section) = IO_floatValue(line,chunkPos,2_pInt)
Read in elastic constants for transformed phase
2015-07-07 18:53:56 +05:30
case ('c22_trans')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_trans_C66(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
Read in elastic constants for transformed phase
2015-07-07 18:53:56 +05:30
case ('c23_trans')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_trans_C66(2,3,section) = IO_floatValue(line,chunkPos,2_pInt)
Read in elastic constants for transformed phase
2015-07-07 18:53:56 +05:30
case ('c33_trans')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_trans_C66(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
Read in elastic constants for transformed phase
2015-07-07 18:53:56 +05:30
case ('c44_trans')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_trans_C66(4,4,section) = IO_floatValue(line,chunkPos,2_pInt)
Read in elastic constants for transformed phase
2015-07-07 18:53:56 +05:30
case ('c55_trans')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_trans_C66(5,5,section) = IO_floatValue(line,chunkPos,2_pInt)
Read in elastic constants for transformed phase
2015-07-07 18:53:56 +05:30
case ('c66_trans')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_trans_C66(6,6,section) = IO_floatValue(line,chunkPos,2_pInt)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
case ('covera_ratio','c/a_ratio','c/a')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
CoverA(section) = IO_floatValue(line,chunkPos,2_pInt)
Read in c/a ratio for transformed hcp phase
2015-06-12 14:29:39 +05:30
case ('c/a_trans','c/a_martensite','c/a_mart')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
CoverA_trans(section) = IO_floatValue(line,chunkPos,2_pInt)
Removed unused variables and renamed some variables for TRIP model
2015-06-08 15:06:52 +05:30
case ('a_fcc')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
a_fcc(section) = IO_floatValue(line,chunkPos,2_pInt)
Removed unused variables and renamed some variables for TRIP model
2015-06-08 15:06:52 +05:30
case ('a_bcc')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
a_bcc(section) = IO_floatValue(line,chunkPos,2_pInt)
redoing previous changes that were lost in commit 3502 please please please make sure you merge your changes to an updated version of the code before committing them
2014-09-27 00:19:40 +05:30
case ('thermal_conductivity11')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_thermalConductivity33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
redoing previous changes that were lost in commit 3502 please please please make sure you merge your changes to an updated version of the code before committing them
2014-09-27 00:19:40 +05:30
case ('thermal_conductivity22')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_thermalConductivity33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
redoing previous changes that were lost in commit 3502 please please please make sure you merge your changes to an updated version of the code before committing them
2014-09-27 00:19:40 +05:30
case ('thermal_conductivity33')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_thermalConductivity33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
case ('thermal_expansion11')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_thermalExpansion33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
case ('thermal_expansion22')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_thermalExpansion33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
case ('thermal_expansion33')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_thermalExpansion33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
redoing previous changes that were lost in commit 3502 please please please make sure you merge your changes to an updated version of the code before committing them
2014-09-27 00:19:40 +05:30
case ('specific_heat')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_specificHeat(section) = IO_floatValue(line,chunkPos,2_pInt)
moved some phase field parameters to lattice
2015-06-11 14:31:37 +05:30
case ('vacancyformationenergy')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_vacancyFormationEnergy(section) = IO_floatValue(line,chunkPos,2_pInt)
moved some phase field parameters to lattice
2015-06-11 14:31:37 +05:30
case ('vacancysurfaceenergy')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_vacancySurfaceEnergy(section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('vacancyvolume')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_vacancyVol(section) = IO_floatValue(line,chunkPos,2_pInt)
moved some phase field parameters to lattice
2015-06-11 14:31:37 +05:30
case ('hydrogenformationenergy')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_hydrogenFormationEnergy(section) = IO_floatValue(line,chunkPos,2_pInt)
moved some phase field parameters to lattice
2015-06-11 14:31:37 +05:30
case ('hydrogensurfaceenergy')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_hydrogenSurfaceEnergy(section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('hydrogenvolume')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_hydrogenVol(section) = IO_floatValue(line,chunkPos,2_pInt)
redoing previous changes that were lost in commit 3502 please please please make sure you merge your changes to an updated version of the code before committing them
2014-09-27 00:19:40 +05:30
case ('mass_density')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_massDensity(section) = IO_floatValue(line,chunkPos,2_pInt)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
case ('reference_temperature')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_referenceTemperature(section) = IO_floatValue(line,chunkPos,2_pInt)
redoing previous changes that were lost in commit 3502 please please please make sure you merge your changes to an updated version of the code before committing them
2014-09-27 00:19:40 +05:30
case ('damage_diffusion11')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_DamageDiffusion33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
redoing previous changes that were lost in commit 3502 please please please make sure you merge your changes to an updated version of the code before committing them
2014-09-27 00:19:40 +05:30
case ('damage_diffusion22')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_DamageDiffusion33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
redoing previous changes that were lost in commit 3502 please please please make sure you merge your changes to an updated version of the code before committing them
2014-09-27 00:19:40 +05:30
case ('damage_diffusion33')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_DamageDiffusion33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
polished field state related changes and brittle damage
2014-09-22 23:45:19 +05:30
case ('damage_mobility')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_DamageMobility(section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('vacancyflux_diffusion11')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_vacancyfluxDiffusion33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('vacancyflux_diffusion22')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_vacancyfluxDiffusion33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('vacancyflux_diffusion33')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_vacancyfluxDiffusion33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('vacancyflux_mobility11')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_vacancyfluxMobility33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('vacancyflux_mobility22')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_vacancyfluxMobility33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('vacancyflux_mobility33')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_vacancyfluxMobility33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('porosity_diffusion11')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_PorosityDiffusion33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('porosity_diffusion22')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_PorosityDiffusion33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('porosity_diffusion33')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_PorosityDiffusion33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('porosity_mobility')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_PorosityMobility(section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('hydrogenflux_diffusion11')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_hydrogenfluxDiffusion33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('hydrogenflux_diffusion22')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_hydrogenfluxDiffusion33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('hydrogenflux_diffusion33')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_hydrogenfluxDiffusion33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('hydrogenflux_mobility11')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_hydrogenfluxMobility33(1,1,section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('hydrogenflux_mobility22')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_hydrogenfluxMobility33(2,2,section) = IO_floatValue(line,chunkPos,2_pInt)
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
case ('hydrogenflux_mobility33')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_hydrogenfluxMobility33(3,3,section) = IO_floatValue(line,chunkPos,2_pInt)
removing some unused code and cleaning up
2015-01-16 23:02:47 +05:30
case ('vacancy_eqcv')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_equilibriumVacancyConcentration(section) = IO_floatValue(line,chunkPos,2_pInt)
initialise Fi correctly for initial field values away from equilibrium
2015-07-24 20:17:18 +05:30
case ('hydrogen_eqch')
behavior of IO_stringPos was unsafe in some situations, also took the chance to rename the variables used in its context to a more meaningful name. functions in the core module are not used, including kdTree
2015-08-28 13:08:48 +05:30
lattice_equilibriumHydrogenConcentration(section) = IO_floatValue(line,chunkPos,2_pInt)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
end select
endif
enddo
Read in c/a ratio for transformed hcp phase
2015-06-12 14:29:39 +05:30
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
do i = 1_pInt,Nphases
if ((CoverA(i) < 1.0_pReal .or. CoverA(i) > 2.0_pReal) &
renumbered some errors, fixed non-existing errors
2014-12-03 06:12:35 +05:30
.and. lattice_structure(i) == LATTICE_hex_ID) call IO_error(131_pInt,el=i) ! checking physical significance of c/a
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
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
Read in c/a ratio for transformed hcp phase
2015-06-12 14:29:39 +05:30
call lattice_initializeStructure(i, CoverA(i), CoverA_trans(i), a_fcc(i), a_bcc(i))
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
enddo
Read in c/a ratio for transformed hcp phase
2015-06-12 14:29:39 +05:30
deallocate(CoverA,CoverA_trans,a_fcc,a_bcc)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
end subroutine lattice_init
!--------------------------------------------------------------------------------------------------
!> @brief Calculation of Schmid matrices, etc.
!--------------------------------------------------------------------------------------------------
Read in c/a ratio for transformed hcp phase
2015-06-12 14:29:39 +05:30
subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
use prec, only: &
tol_math_check
use math, only: &
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
math_crossproduct, &
math_tensorproduct33, &
Pitsch orientation relationship for phase transformation
2014-08-29 18:33:48 +05:30
math_mul33x33, &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
math_mul33x3, &
fcc to hex orientation relationship (Shoji-Nishiyama)
2015-06-22 19:17:15 +05:30
math_transpose33, &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
math_trace33, &
math_symmetric33, &
math_Mandel33to6, &
math_Mandel3333to66, &
math_Voigt66to3333, &
math_axisAngleToR, &
Cleaning up
2015-06-22 13:40:20 +05:30
INRAD, &
MATH_I3
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
use IO, only: &
typo, IO_warning and not IO_error
2014-11-26 15:46:30 +05:30
IO_error, &
IO_warning
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
implicit none
integer(pInt), intent(in) :: myPhase
real(pReal), intent(in) :: &
CoverA, &
Read in c/a ratio for transformed hcp phase
2015-06-12 14:29:39 +05:30
CoverA_trans, &
Removed unused variables and renamed some variables for TRIP model
2015-06-08 15:06:52 +05:30
a_fcc, &
a_bcc
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
real(pReal), dimension(3) :: &
sdU, snU, &
np, nn
fcc to hex orientation relationship (Shoji-Nishiyama)
2015-06-22 19:17:15 +05:30
real(pReal), dimension(3,3) :: &
sstr, sdtr, sttr
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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
Characteristic transformation shear
2015-11-17 20:20:59 +05:30
real(pReal), dimension(lattice_maxNtrans) :: &
trs
Pitsch orientation relationship for phase transformation
2014-08-29 18:33:48 +05:30
real(pReal), dimension(3,lattice_maxNtrans) :: &
Cleaning up
2015-06-22 13:40:20 +05:30
xtr, ytr, ztr
Minor fix for now
2014-09-01 15:00:33 +05:30
real(pReal), dimension(3,3,lattice_maxNtrans) :: &
Cleaning up
2015-06-22 13:40:20 +05:30
Rtr, Utr, Btr, Qtr, Str
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
real(pReal), dimension(3,lattice_maxNcleavage) :: &
cd, cn, ct
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
integer(pInt) :: &
i,j, &
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
myNslip = 0_pInt, myNtwin = 0_pInt, myNtrans = 0_pInt, myNcleavage = 0_pInt
Rotate elastic constants (fcc to hex)
2016-01-25 19:38:38 +05:30
real(pReal) :: c11bar, c12bar, c13bar, c14bar, c33bar, c44bar, A, B
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
lattice_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(lattice_structure(myPhase),&
lattice_C66(1:6,1:6,myPhase))
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
lattice_mu(myPhase) = 0.2_pReal *( lattice_C66(1,1,myPhase) &
- lattice_C66(1,2,myPhase) &
added informative ext_msg to error 135
2015-04-18 20:52:15 +05:30
+ 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
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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
added informative ext_msg to error 135
2015-04-18 20:52:15 +05:30
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"')
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
enddo
Elasticity matrices for transformed phase
2015-07-08 17:28:52 +05:30
Rotate elastic constants (fcc to hex)
2016-01-25 19:38:38 +05:30
! 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)
Bug fix for v4780 so it works for non transformation case
2016-01-26 18:50:45 +05:30
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) &
call IO_error(135_pInt,el=i,ip=myPhase,ext_msg='matrix diagonal "el"ement of phase "ip"')
enddo
Rotate elastic constants (fcc to hex)
2016-01-25 19:38:38 +05:30
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
lattice_trans_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(trans_lattice_structure(myPhase),&
lattice_trans_C66(1:6,1:6,myPhase))
Bug fix for v4780 so it works for non transformation case
2016-01-26 18:50:45 +05:30
lattice_trans_mu(myPhase) = 0.2_pReal *( lattice_trans_C66(1,1,myPhase) &
Rotate elastic constants (fcc to hex)
2016-01-25 19:38:38 +05:30
- lattice_trans_C66(1,2,myPhase) &
+ 3.0_pReal*lattice_trans_C66(4,4,myPhase))
Bug fix for v4780 so it works for non transformation case
2016-01-26 18:50:45 +05:30
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)) &
Rotate elastic constants (fcc to hex)
2016-01-25 19:38:38 +05:30
/( 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))
Bug fix for v4780 so it works for non transformation case
2016-01-26 18:50:45 +05:30
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) &
call IO_error(135_pInt,el=i,ip=myPhase,ext_msg='matrix diagonal "el"ement of phase "ip"')
enddo
end select
Rotate elastic constants (fcc to hex)
2016-01-25 19:38:38 +05:30
end select
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
lattice_thermalConductivity33(1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
lattice_thermalConductivity33(1:3,1:3,myPhase))
lattice_thermalExpansion33(1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
lattice_thermalExpansion33(1:3,1:3,myPhase))
redoing previous changes that were lost in commit 3502 please please please make sure you merge your changes to an updated version of the code before committing them
2014-09-27 00:19:40 +05:30
lattice_DamageDiffusion33(1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
lattice_DamageDiffusion33(1:3,1:3,myPhase))
major restructuring of multi field handling in DAMASK and added some example config files for multi field simulations. please report bugs
2015-05-28 22:32:23 +05:30
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))
lattice_hydrogenfluxDiffusion33(1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
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))
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
select case(lattice_structure(myPhase))
!--------------------------------------------------------------------------------------------------
! fcc
case (LATTICE_fcc_ID)
Pitsch orientation relationship for phase transformation
2014-08-29 18:33:48 +05:30
myNslip = lattice_fcc_Nslip
myNtwin = lattice_fcc_Ntwin
myNtrans = lattice_fcc_Ntrans
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
myNcleavage = lattice_fcc_Ncleavage
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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)
enddo
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)
enddo
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
do i = 1_pInt, myNcleavage ! assign cleavage system vectors
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
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))
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
enddo
Pitsch orientation relationship for phase transformation
2014-08-29 18:33:48 +05:30
Added keyword to specify transformed lattice structure
2015-06-11 13:53:27 +05:30
! Phase transformation
select case(trans_lattice_structure(myPhase))
case (LATTICE_bcc_ID) ! fcc to bcc transformation
do i = 1_pInt,myNtrans
Elasticity matrices for transformed phase
2015-07-08 17:28:52 +05:30
Rtr(1:3,1:3,i) = math_axisAngleToR(lattice_fccTobcc_systemTrans(1:3,i), & ! Pitsch rotation
Renamed variables to denote fcc to bcc transformation
2015-06-22 14:03:48 +05:30
lattice_fccTobcc_systemTrans(4,i)*INRAD)
Elasticity matrices for transformed phase
2015-07-08 17:28:52 +05:30
Btr(1:3,1:3,i) = math_axisAngleToR(lattice_fccTobcc_bainRot(1:3,i), & ! Rotation of fcc to Bain coordinate system
Renamed variables to denote fcc to bcc transformation
2015-06-22 14:03:48 +05:30
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)
Added keyword to specify transformed lattice structure
2015-06-11 13:53:27 +05:30
Utr(1:3,1:3,i) = 0.0_pReal ! Bain deformation
if ((a_fcc > 0.0_pReal) .and. (a_bcc > 0.0_pReal)) then
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
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))
Added keyword to specify transformed lattice structure
2015-06-11 13:53:27 +05:30
endif
Cleaning up
2015-06-22 13:40:20 +05:30
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
Added keyword to specify transformed lattice structure
2015-06-11 13:53:27 +05:30
enddo
fcc to hex orientation relationship (Shoji-Nishiyama)
2015-06-22 19:17:15 +05:30
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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
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))
fcc to hex orientation relationship (Shoji-Nishiyama)
2015-06-22 19:17:15 +05:30
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
Characteristic transformation shear
2015-11-17 20:20:59 +05:30
trs(i) = lattice_fccTohex_shearTrans(i)
fcc to hex orientation relationship (Shoji-Nishiyama)
2015-06-22 19:17:15 +05:30
enddo
Cleaning up
2015-06-22 13:40:20 +05:30
case default
Qtr = 0.0_pReal
Str = 0.0_pReal
Added keyword to specify transformed lattice structure
2015-06-11 13:53:27 +05:30
end select
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
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
Trans interaction matrices
2015-11-09 21:27:20 +05:30
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
Renamed variables to denote fcc to bcc transformation
2015-06-22 14:03:48 +05:30
lattice_projectionTrans(1:myNtrans,1:myNtrans,myPhase) = LATTICE_fccTobcc_projectionTrans*&
LATTICE_fccTobcc_projectionTransFactor
Pitsch orientation relationship for phase transformation
2014-08-29 18:33:48 +05:30
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!--------------------------------------------------------------------------------------------------
! bcc
case (LATTICE_bcc_ID)
myNslip = lattice_bcc_Nslip
myNtwin = lattice_bcc_Ntwin
fixed some bugs in previous commit
2014-09-01 14:27:34 +05:30
myNtrans = lattice_bcc_Ntrans
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
myNcleavage = lattice_bcc_Ncleavage
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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)
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
sdU = sd(1:3,i) / norm2(sd(1:3,i))
snU = sn(1:3,i) / norm2(sn(1:3,i))
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
! "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), snU)
nn = math_mul33x3(math_axisAngleToR(-sdU,60.0_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)
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
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)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
do i = 1_pInt, myNcleavage ! assign cleavage system vectors
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
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))
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
enddo
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
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!--------------------------------------------------------------------------------------------------
! 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
fixed some bugs in previous commit
2014-09-01 14:27:34 +05:30
myNtrans = lattice_hex_Ntrans
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
myNcleavage = lattice_hex_Ncleavage
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
do i = 1_pInt,myNslip ! assign slip system vectors
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
enddo
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
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
do i = 1_pInt, myNcleavage ! cleavage system vectors
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
cd(1,i) = lattice_hex_systemCleavage(1,i)*1.5_pReal ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)]
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
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))
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
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))
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
enddo
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
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
!--------------------------------------------------------------------------------------------------
! 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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
sdU = sd(1:3,i) / norm2(sd(1:3,i))
snU = sn(1:3,i) / norm2(sn(1:3,i))
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
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
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!--------------------------------------------------------------------------------------------------
fixed typo 'orthorhombic'
2014-11-03 21:11:05 +05:30
! orthorhombic (no crystal plasticity)
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
case (LATTICE_ort_ID)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
myNslip = 0_pInt
myNtwin = 0_pInt
fixed some bugs in previous commit
2014-09-01 14:27:34 +05:30
myNtrans = 0_pInt
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
myNcleavage = lattice_ortho_Ncleavage
do i = 1_pInt, myNcleavage ! assign cleavage system vectors
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
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))
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
enddo
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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
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))
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
enddo
lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,myPhase) = lattice_iso_NcleavageSystem
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
!--------------------------------------------------------------------------------------------------
! something went wrong
case default
renumbered some errors, fixed non-existing errors
2014-12-03 06:12:35 +05:30
call IO_error(130_pInt,ext_msg='lattice_initializeStructure')
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
end select
do i = 1_pInt,myNslip ! store slip system vectors and Schmid matrix for my structure
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
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), &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
lattice_sn(1:3,i,myPhase))
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
lattice_Sslip(1:3,1:3,1,i,myPhase) = math_tensorproduct33(lattice_sd(1:3,i,myPhase), &
added informative ext_msg to error 135
2015-04-18 20:52:15 +05:30
lattice_sn(1:3,i,myPhase)) ! calculate Schmid matrix d \otimes n
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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)
enddo
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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
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), &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
lattice_tn(1:3,i,myPhase))
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
lattice_Stwin(1:3,1:3,i,myPhase) = math_tensorproduct33(lattice_td(1:3,i,myPhase), &
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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),180.0_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
Pitsch orientation relationship for phase transformation
2014-08-29 18:33:48 +05:30
do i = 1_pInt,myNtrans
Cleaning up
2015-06-22 13:40:20 +05:30
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)
Renamed some variables for consistency
2015-06-08 19:56:50 +05:30
lattice_Strans_v(1:6,i,myPhase) = math_Mandel33to6(math_symmetric33(lattice_Strans(1:3,1:3,i,myPhase)))
Characteristic transformation shear
2015-11-17 20:20:59 +05:30
lattice_shearTrans(i,myPhase) = trs(i)
Pitsch orientation relationship for phase transformation
2014-08-29 18:33:48 +05:30
enddo
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
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))
introduced crystallographic cleavage systems for each lattice type FCC: (100) and (111) planes BCC: (100) and (110) planes HCP: (0001) planes iso/orthotropic: (100) planes
2014-10-28 23:35:51 +05:30
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
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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
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)
end forall
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)
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
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
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
case default
lattice_symmetrizeC66 = C66
end select
end function lattice_symmetrizeC66
!--------------------------------------------------------------------------------------------------
!> @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
removed unused variables
2014-09-23 02:04:42 +05:30
integer(pInt) :: k
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
lattice_symmetrize33 = 0.0_pReal
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)
added lattice for (bct) beta- Sn.
2015-06-27 20:25:30 +05:30
case (LATTICE_ort_ID,lattice_bct_ID)
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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
end function lattice_symmetrize33
!--------------------------------------------------------------------------------------------------
!> @brief figures whether unit quat falls into stereographic standard triangle
!--------------------------------------------------------------------------------------------------
logical pure function lattice_qInSST(Q, struct)
also using isNaN function
2015-04-14 17:13:31 +05:30
use prec, only: &
prec_isNaN
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
use math, only: &
math_qToRodrig
implicit none
also using isNaN function
2015-04-14 17:13:31 +05:30
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
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
Rodrig = math_qToRodrig(Q)
also using isNaN function
2015-04-14 17:13:31 +05:30
if (any(prec_isNaN(Rodrig))) then
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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) :: &
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
Q1, & ! 1st orientation
small correction to variable declaration layout
2016-03-16 02:53:01 +05:30
Q2 ! 2nd orientation
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
integer(kind(LATTICE_undefined_ID)), optional, intent(in) :: & ! if given, symmetries between the two orientation will be considered
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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
!--------------------------------------------------------------------------------------------------
corrected comment
2016-01-15 19:33:24 +05:30
! calculate misorientation, for cubic and hexagonal structure find symmetries
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
dQ = math_qMul(math_qConj(Q1),Q2)
lattice_qDisorientation = dQ
select case(symmetry)
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
removed norm functions from math in favor of intrinsic and simplified (mostly by using existing functions, merge intrinsic and array constructors)
2016-01-10 19:04:26 +05:30
if (mis(1)-lattice_qDisorientation(1) > -tol_math_check &
.and. lattice_qInSST(mis,LATTICE_undefined_ID)) lattice_qDisorientation = mis ! found better one
Fixed issue with previous commit
2014-08-14 17:51:51 +05:30
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
end module lattice