some comments to be seen in documentation
This commit is contained in:
Martin Diehl
parent
ecd8823fc0
commit
0434ef3daa
115
code/lattice.f90
115
code/lattice.f90
|
|
@ -39,25 +39,25 @@ module lattice
|
|||
!************************************
|
||||
|
||||
integer(pInt), parameter, public :: &
|
||||
lattice_maxNslipFamily = 5_pInt, & !> max # of slip system families over lattice structures
|
||||
lattice_maxNtwinFamily = 4_pInt, & !> max # of twin system families over lattice structures
|
||||
lattice_maxNslip = 54_pInt, & !> max # of slip systems over lattice structures
|
||||
lattice_maxNtwin = 24_pInt, & !> max # of twin systems over lattice structures
|
||||
lattice_maxNinteraction = 30_pInt !> max # of interaction types (in hardening matrix part)
|
||||
lattice_maxNslipFamily = 5_pInt, & !< max # of slip system families over lattice structures
|
||||
lattice_maxNtwinFamily = 4_pInt, & !< max # of twin system families over lattice structures
|
||||
lattice_maxNslip = 54_pInt, & !< max # of slip systems over lattice structures
|
||||
lattice_maxNtwin = 24_pInt, & !< max # of twin systems over lattice structures
|
||||
lattice_maxNinteraction = 30_pInt !< max # of interaction types (in hardening matrix part)
|
||||
|
||||
integer(pInt), allocatable, dimension(:,:), public :: &
|
||||
lattice_NslipSystem, & !> number of slip systems in each family
|
||||
lattice_NtwinSystem !> number of twin systems in each family
|
||||
lattice_NslipSystem, & !< # of slip systems in each family
|
||||
lattice_NtwinSystem !< # of twin systems in each family
|
||||
|
||||
integer(pInt), allocatable, dimension(:,:,:), public :: &
|
||||
lattice_interactionSlipSlip, & !> interaction type between slip/slip
|
||||
lattice_interactionSlipTwin, & !> interaction type between slip/twin
|
||||
lattice_interactionTwinSlip, & !> interaction type between twin/slip
|
||||
lattice_interactionTwinTwin !> interaction type between twin/twin
|
||||
lattice_interactionSlipSlip, & !< interaction type between slip/slip
|
||||
lattice_interactionSlipTwin, & !< interaction type between slip/twin
|
||||
lattice_interactionTwinSlip, & !< interaction type between twin/slip
|
||||
lattice_interactionTwinTwin !< interaction type between twin/twin
|
||||
|
||||
|
||||
real(pReal), allocatable, dimension(:,:,:,:), public :: &
|
||||
lattice_Sslip !> Schmid matrices, normal, shear direction and d x n of slip systems
|
||||
lattice_Sslip !< Schmid matrices, normal, shear direction and d x n of slip systems
|
||||
|
||||
real(pReal), allocatable, dimension(:,:,:), public :: &
|
||||
lattice_Sslip_v, &
|
||||
|
|
@ -77,11 +77,11 @@ module lattice
|
|||
lattice_tt
|
||||
|
||||
real(pReal), allocatable, dimension(:,:), public :: &
|
||||
lattice_shearTwin !> characteristic twin shear
|
||||
lattice_shearTwin !< characteristic twin shear
|
||||
|
||||
integer(pInt), private :: &
|
||||
lattice_Nhexagonal, & !> # of hexagonal lattice structure (from tag CoverA_ratio)
|
||||
lattice_Nstructure !> # of lattice structures (1: fcc,2: bcc,3+: hexagonal)
|
||||
lattice_Nhexagonal, & !< # of hexagonal lattice structure (from tag CoverA_ratio)
|
||||
lattice_Nstructure !< # of lattice structures (1: fcc,2: bcc,3+: hexagonal)
|
||||
|
||||
integer(pInt), dimension(:,:), pointer, private :: &
|
||||
interactionSlipSlip, &
|
||||
|
|
@ -89,7 +89,8 @@ module lattice
|
|||
interactionTwinSlip, &
|
||||
interactionTwinTwin
|
||||
|
||||
!============================== fcc (1) =================================
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! fcc (1)
|
||||
|
||||
integer(pInt), dimension(lattice_maxNslipFamily), parameter, private :: &
|
||||
lattice_fcc_NslipSystem = int([12, 0, 0, 0, 0],pInt)
|
||||
|
|
@ -106,7 +107,6 @@ module lattice
|
|||
|
||||
real(pReal), dimension(3+3,lattice_fcc_Nslip), parameter, private :: &
|
||||
lattice_fcc_systemSlip = reshape(real([&
|
||||
! Slip system <110>{111} Sorted according to Eisenlohr & Hantcherli
|
||||
0, 1,-1, 1, 1, 1, &
|
||||
-1, 0, 1, 1, 1, 1, &
|
||||
1,-1, 0, 1, 1, 1, &
|
||||
|
|
@ -119,11 +119,10 @@ module lattice
|
|||
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])
|
||||
],pReal),[ 3_pInt + 3_pInt,lattice_fcc_Nslip]) !< Slip system <110>{111} Sorted according to Eisenlohr & Hantcherli
|
||||
|
||||
real(pReal), dimension(3+3,lattice_fcc_Ntwin), parameter, private :: &
|
||||
lattice_fcc_systemTwin = reshape(real( [&
|
||||
! Twin system <112>{111} Sorted according to Eisenlohr & Hantcherli
|
||||
-2, 1, 1, 1, 1, 1, &
|
||||
1,-2, 1, 1, 1, 1, &
|
||||
1, 1,-2, 1, 1, 1, &
|
||||
|
|
@ -136,11 +135,10 @@ module lattice
|
|||
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])
|
||||
],pReal),[ 3_pInt + 3_pInt ,lattice_fcc_Ntwin]) !< Twin system <112>{111} Sorted according to Eisenlohr & Hantcherli
|
||||
|
||||
real(pReal), dimension(lattice_fcc_Ntwin), parameter, private :: &
|
||||
lattice_fcc_shearTwin = reshape([&
|
||||
! Twin system <112>{111} Sorted according to Eisenlohr & Hantcherli
|
||||
0.7071067812_pReal, &
|
||||
0.7071067812_pReal, &
|
||||
0.7071067812_pReal, &
|
||||
|
|
@ -153,17 +151,10 @@ module lattice
|
|||
0.7071067812_pReal, &
|
||||
0.7071067812_pReal, &
|
||||
0.7071067812_pReal &
|
||||
],[lattice_fcc_Ntwin])
|
||||
],[lattice_fcc_Ntwin]) !< Twin system <112>{111} Sorted according to Eisenlohr & Hantcherli
|
||||
|
||||
integer(pInt), dimension(lattice_fcc_Nslip,lattice_fcc_Nslip), target, private :: &
|
||||
lattice_fcc_interactionSlipSlip = reshape(int( [&
|
||||
! Interaction types
|
||||
! 1 --- self interaction
|
||||
! 2 --- coplanar interaction
|
||||
! 3 --- collinear interaction
|
||||
! 4 --- Hirth locks
|
||||
! 5 --- glissile junctions
|
||||
! 6 --- Lomer locks
|
||||
1,2,2,4,6,5,3,5,5,4,5,6, &
|
||||
2,1,2,6,4,5,5,4,6,5,3,5, &
|
||||
2,2,1,5,5,3,5,6,4,6,5,4, &
|
||||
|
|
@ -177,7 +168,14 @@ module lattice
|
|||
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])
|
||||
|
||||
!< Interaction types
|
||||
!< 1 --- self interaction
|
||||
!< 2 --- coplanar interaction
|
||||
!< 3 --- collinear interaction
|
||||
!< 4 --- Hirth locks
|
||||
!< 5 --- glissile junctions
|
||||
!< 6 --- Lomer locks
|
||||
|
||||
integer(pInt), dimension(lattice_fcc_Ntwin,lattice_fcc_Nslip), target, private :: &
|
||||
lattice_fcc_interactionSlipTwin = reshape(int( [&
|
||||
1,1,1,2,2,1,1,2,2,2,1,2, &
|
||||
|
|
@ -212,9 +210,10 @@ module lattice
|
|||
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])
|
||||
|
||||
|
||||
!============================== bcc (2) =================================
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! bcc (2)
|
||||
|
||||
integer(pInt), dimension(lattice_maxNslipFamily), parameter, private :: &
|
||||
lattice_bcc_NslipSystem = int([ 12,12,24, 0, 0], pInt)
|
||||
|
|
@ -307,7 +306,6 @@ module lattice
|
|||
|
||||
real(pReal), dimension(lattice_bcc_Ntwin), parameter, private :: &
|
||||
lattice_bcc_shearTwin = reshape([&
|
||||
! Twin system {111}<112> just a dummy
|
||||
0.123_pReal, &
|
||||
0.123_pReal, &
|
||||
0.123_pReal, &
|
||||
|
|
@ -320,9 +318,9 @@ module lattice
|
|||
0.123_pReal, &
|
||||
0.123_pReal, &
|
||||
0.123_pReal &
|
||||
],[lattice_bcc_Ntwin])
|
||||
],[lattice_bcc_Ntwin]) ! Twin system {111}<112> just a dummy
|
||||
|
||||
!*** slip--slip interactions for BCC structures (2) ***
|
||||
!> slip--slip interactions for BCC structures (2)
|
||||
integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Nslip), target, private :: &
|
||||
lattice_bcc_interactionSlipSlip = reshape(int( [&
|
||||
1,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2, &
|
||||
|
|
@ -375,8 +373,7 @@ module lattice
|
|||
2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1 &
|
||||
],pInt),[lattice_bcc_Nslip,lattice_bcc_Nslip])
|
||||
|
||||
!*** slip--twin interactions for BCC structures (2) ***
|
||||
! MISSING: not implemented yet
|
||||
!> slip--twin interactions for BCC structures (2) MISSING: not implemented yet
|
||||
integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Nslip), target, private :: &
|
||||
lattice_bcc_interactionSlipTwin = reshape(int( [&
|
||||
0,0,0,0,0,0,0,0,0,0,0,0, &
|
||||
|
|
@ -430,8 +427,7 @@ module lattice
|
|||
],pInt),[lattice_bcc_Ntwin,lattice_bcc_Nslip])
|
||||
|
||||
|
||||
!*** twin--slip interactions for BCC structures (2) ***
|
||||
! MISSING: not implemented yet
|
||||
!>twin--slip interactions for BCC structures (2) MISSING: not implemented yet
|
||||
integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Ntwin), target, private :: &
|
||||
lattice_bcc_interactionTwinSlip = reshape(int( [&
|
||||
0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0, &
|
||||
|
|
@ -448,8 +444,7 @@ module lattice
|
|||
0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 &
|
||||
],pInt),[lattice_bcc_Nslip,lattice_bcc_Ntwin])
|
||||
|
||||
!*** twin-twin interactions for BCC structures (2) ***
|
||||
! MISSING: not implemented yet
|
||||
!> twin-twin interactions for BCC structures (2) MISSING: not implemented yet
|
||||
integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Ntwin), target, private :: &
|
||||
lattice_bcc_interactionTwinTwin = reshape(int( [&
|
||||
0,0,0,0,0,0,0,0,0,0,0,0, &
|
||||
|
|
@ -467,7 +462,8 @@ module lattice
|
|||
],pInt),[lattice_bcc_Ntwin,lattice_bcc_Ntwin])
|
||||
|
||||
|
||||
!============================== hex (3+) =================================
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! hex (3+)
|
||||
|
||||
integer(pInt), dimension(lattice_maxNslipFamily), parameter, private :: &
|
||||
lattice_hex_NslipSystem = int([ 3, 3, 6,12, 6],pInt)
|
||||
|
|
@ -734,12 +730,12 @@ module lattice
|
|||
|
||||
contains
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Maps structure to symmetry type
|
||||
!> @details fcc(1) and bcc(2) are cubic(1) hex(3+) is hexagonal(2)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
integer(pInt) pure function lattice_symmetryType(structID)
|
||||
!**************************************
|
||||
!* maps structure to symmetry type *
|
||||
!* fcc(1) and bcc(2) are cubic(1) *
|
||||
!* hex(3+) is hexagonal(2) *
|
||||
!**************************************
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: structID
|
||||
|
|
@ -758,11 +754,12 @@ integer(pInt) pure function lattice_symmetryType(structID)
|
|||
end function lattice_symmetryType
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Module initialization
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine lattice_init
|
||||
!**************************************
|
||||
!* Module initialization *
|
||||
!**************************************
|
||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
||||
|
||||
use, 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, &
|
||||
|
|
@ -786,12 +783,12 @@ subroutine lattice_init
|
|||
#include "compilation_info.f90"
|
||||
!$OMP END CRITICAL (write2out)
|
||||
|
||||
if (.not. IO_open_jobFile_stat(fileunit,material_localFileExt)) then ! no local material configuration present...
|
||||
call IO_open_file(fileunit,material_configFile) ! ... open material.config file
|
||||
if (.not. IO_open_jobFile_stat(fileunit,material_localFileExt)) then ! no local material configuration present...
|
||||
call IO_open_file(fileunit,material_configFile) ! ... open material.config file
|
||||
endif
|
||||
Nsections = IO_countSections(fileunit,material_partPhase)
|
||||
lattice_Nstructure = 2_pInt + sum(IO_countTagInPart(fileunit,material_partPhase,'covera_ratio',Nsections)) ! fcc + bcc + all hex
|
||||
! lattice_Nstructure = Nsections + 2_pInt ! most conservative assumption
|
||||
! lattice_Nstructure = Nsections + 2_pInt ! most conservative assumption
|
||||
close(fileunit)
|
||||
|
||||
if (iand(debug_level(debug_lattice),debug_levelBasic) /= 0_pInt) then
|
||||
|
|
@ -832,11 +829,10 @@ subroutine lattice_init
|
|||
end subroutine lattice_init
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Calculation of Schmid matrices, etc.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
integer(pInt) function lattice_initializeStructure(struct,CoverA)
|
||||
!**************************************
|
||||
!* Calculation of Schmid *
|
||||
!* matrices, etc. *
|
||||
!**************************************
|
||||
use prec, only: pReal,pInt
|
||||
use math, only: math_vectorproduct, &
|
||||
math_tensorproduct, &
|
||||
|
|
@ -1003,5 +999,4 @@ integer(pInt) function lattice_initializeStructure(struct,CoverA)
|
|||
|
||||
end function lattice_initializeStructure
|
||||
|
||||
|
||||
end module lattice
|
||||
|
|
|
|||
Loading…
Reference in New Issue