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DAMASK_EICMD
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some comments to be seen in documentation

This commit is contained in:
Martin Diehl 2012-08-15 13:38:38 +00:00
parent ecd8823fc0
commit 0434ef3daa
1 changed files with 55 additions and 60 deletions
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115
code/lattice.f90
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@ -39,25 +39,25 @@ module lattice
!************************************ !************************************
integer(pInt), parameter, public :: & integer(pInt), parameter, public :: &
lattice_maxNslipFamily = 5_pInt, & !> max # of slip system families over lattice structures 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_maxNtwinFamily = 4_pInt, & !< max # of twin system families over lattice structures
lattice_maxNslip = 54_pInt, & !> max # of slip systems 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_maxNtwin = 24_pInt, & !< max # of twin systems over lattice structures
lattice_maxNinteraction = 30_pInt !> max # of interaction types (in hardening matrix part) lattice_maxNinteraction = 30_pInt !< max # of interaction types (in hardening matrix part)
integer(pInt), allocatable, dimension(:,:), public :: & integer(pInt), allocatable, dimension(:,:), public :: &
lattice_NslipSystem, & !> number of slip systems in each family lattice_NslipSystem, & !< # of slip systems in each family
lattice_NtwinSystem !> number of twin systems in each family lattice_NtwinSystem !< # of twin systems in each family
integer(pInt), allocatable, dimension(:,:,:), public :: & integer(pInt), allocatable, dimension(:,:,:), public :: &
lattice_interactionSlipSlip, & !> interaction type between slip/slip lattice_interactionSlipSlip, & !< interaction type between slip/slip
lattice_interactionSlipTwin, & !> interaction type between slip/twin lattice_interactionSlipTwin, & !< interaction type between slip/twin
lattice_interactionTwinSlip, & !> interaction type between twin/slip lattice_interactionTwinSlip, & !< interaction type between twin/slip
lattice_interactionTwinTwin !> interaction type between twin/twin lattice_interactionTwinTwin !< interaction type between twin/twin
real(pReal), allocatable, dimension(:,:,:,:), public :: & 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 :: & real(pReal), allocatable, dimension(:,:,:), public :: &
lattice_Sslip_v, & lattice_Sslip_v, &
@ -77,11 +77,11 @@ module lattice
lattice_tt lattice_tt
real(pReal), allocatable, dimension(:,:), public :: & real(pReal), allocatable, dimension(:,:), public :: &
lattice_shearTwin !> characteristic twin shear lattice_shearTwin !< characteristic twin shear
integer(pInt), private :: & integer(pInt), private :: &
lattice_Nhexagonal, & !> # of hexagonal lattice structure (from tag CoverA_ratio) lattice_Nhexagonal, & !< # of hexagonal lattice structure (from tag CoverA_ratio)
lattice_Nstructure !> # of lattice structures (1: fcc,2: bcc,3+: hexagonal) lattice_Nstructure !< # of lattice structures (1: fcc,2: bcc,3+: hexagonal)
integer(pInt), dimension(:,:), pointer, private :: & integer(pInt), dimension(:,:), pointer, private :: &
interactionSlipSlip, & interactionSlipSlip, &
@ -89,7 +89,8 @@ module lattice
interactionTwinSlip, & interactionTwinSlip, &
interactionTwinTwin interactionTwinTwin
!============================== fcc (1) ================================= !--------------------------------------------------------------------------------------------------
! fcc (1)
integer(pInt), dimension(lattice_maxNslipFamily), parameter, private :: & integer(pInt), dimension(lattice_maxNslipFamily), parameter, private :: &
lattice_fcc_NslipSystem = int([12, 0, 0, 0, 0],pInt) 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 :: & real(pReal), dimension(3+3,lattice_fcc_Nslip), parameter, private :: &
lattice_fcc_systemSlip = reshape(real([& lattice_fcc_systemSlip = reshape(real([&
! Slip system <110>{111} Sorted according to Eisenlohr & Hantcherli
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, 1, 1, 1, &
@ -119,11 +119,10 @@ module lattice
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, -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 :: & real(pReal), dimension(3+3,lattice_fcc_Ntwin), parameter, private :: &
lattice_fcc_systemTwin = reshape(real( [& lattice_fcc_systemTwin = reshape(real( [&
! Twin system <112>{111} Sorted according to Eisenlohr & Hantcherli
-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, 1,-2, 1, 1, 1, & 1, 1,-2, 1, 1, 1, &
@ -136,11 +135,10 @@ module lattice
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, 1, 2, -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 :: & real(pReal), dimension(lattice_fcc_Ntwin), parameter, private :: &
lattice_fcc_shearTwin = reshape([& lattice_fcc_shearTwin = reshape([&
! Twin system <112>{111} Sorted according to Eisenlohr & Hantcherli
0.7071067812_pReal, & 0.7071067812_pReal, &
0.7071067812_pReal, & 0.7071067812_pReal, &
0.7071067812_pReal, & 0.7071067812_pReal, &
@ -153,17 +151,10 @@ module lattice
0.7071067812_pReal, & 0.7071067812_pReal, &
0.7071067812_pReal, & 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 :: & integer(pInt), dimension(lattice_fcc_Nslip,lattice_fcc_Nslip), target, private :: &
lattice_fcc_interactionSlipSlip = reshape(int( [& 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, & 1,2,2,4,6,5,3,5,5,4,5,6, &
2,1,2,6,4,5,5,4,6,5,3,5, & 2,1,2,6,4,5,5,4,6,5,3,5, &
2,2,1,5,5,3,5,6,4,6,5,4, & 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, & 5,3,5,5,4,6,6,4,5,2,1,2, &
6,5,4,5,6,4,5,5,3,2,2,1 & 6,5,4,5,6,4,5,5,3,2,2,1 &
],pInt),[lattice_fcc_Nslip,lattice_fcc_Nslip]) ],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 :: & integer(pInt), dimension(lattice_fcc_Ntwin,lattice_fcc_Nslip), target, private :: &
lattice_fcc_interactionSlipTwin = reshape(int( [& lattice_fcc_interactionSlipTwin = reshape(int( [&
1,1,1,2,2,1,1,2,2,2,1,2, & 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, &
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]) ],pInt),[lattice_fcc_Ntwin,lattice_fcc_Ntwin])
!============================== bcc (2) ================================= !--------------------------------------------------------------------------------------------------
! bcc (2)
integer(pInt), dimension(lattice_maxNslipFamily), parameter, private :: & integer(pInt), dimension(lattice_maxNslipFamily), parameter, private :: &
lattice_bcc_NslipSystem = int([ 12,12,24, 0, 0], pInt) lattice_bcc_NslipSystem = int([ 12,12,24, 0, 0], pInt)
@ -307,7 +306,6 @@ module lattice
real(pReal), dimension(lattice_bcc_Ntwin), parameter, private :: & real(pReal), dimension(lattice_bcc_Ntwin), parameter, private :: &
lattice_bcc_shearTwin = reshape([& lattice_bcc_shearTwin = reshape([&
! Twin system {111}<112> just a dummy
0.123_pReal, & 0.123_pReal, &
0.123_pReal, & 0.123_pReal, &
0.123_pReal, & 0.123_pReal, &
@ -320,9 +318,9 @@ module lattice
0.123_pReal, & 0.123_pReal, &
0.123_pReal, & 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 :: & integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Nslip), target, private :: &
lattice_bcc_interactionSlipSlip = reshape(int( [& 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, & 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 & 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]) ],pInt),[lattice_bcc_Nslip,lattice_bcc_Nslip])
!*** slip--twin interactions for BCC structures (2) *** !> slip--twin interactions for BCC structures (2) MISSING: not implemented yet
! MISSING: not implemented yet
integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Nslip), target, private :: & integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Nslip), target, private :: &
lattice_bcc_interactionSlipTwin = reshape(int( [& lattice_bcc_interactionSlipTwin = 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, &
@ -430,8 +427,7 @@ module lattice
],pInt),[lattice_bcc_Ntwin,lattice_bcc_Nslip]) ],pInt),[lattice_bcc_Ntwin,lattice_bcc_Nslip])
!*** twin--slip interactions for BCC structures (2) *** !>twin--slip interactions for BCC structures (2) MISSING: not implemented yet
! MISSING: not implemented yet
integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Ntwin), target, private :: & integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Ntwin), target, private :: &
lattice_bcc_interactionTwinSlip = reshape(int( [& 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, & 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 & 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]) ],pInt),[lattice_bcc_Nslip,lattice_bcc_Ntwin])
!*** twin-twin interactions for BCC structures (2) *** !> twin-twin interactions for BCC structures (2) MISSING: not implemented yet
! MISSING: not implemented yet
integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Ntwin), target, private :: & integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Ntwin), target, private :: &
lattice_bcc_interactionTwinTwin = reshape(int( [& lattice_bcc_interactionTwinTwin = 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, &
@ -467,7 +462,8 @@ module lattice
],pInt),[lattice_bcc_Ntwin,lattice_bcc_Ntwin]) ],pInt),[lattice_bcc_Ntwin,lattice_bcc_Ntwin])
!============================== hex (3+) ================================= !--------------------------------------------------------------------------------------------------
! hex (3+)
integer(pInt), dimension(lattice_maxNslipFamily), parameter, private :: & integer(pInt), dimension(lattice_maxNslipFamily), parameter, private :: &
lattice_hex_NslipSystem = int([ 3, 3, 6,12, 6],pInt) lattice_hex_NslipSystem = int([ 3, 3, 6,12, 6],pInt)
@ -734,12 +730,12 @@ module lattice
contains 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) 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 implicit none
integer(pInt), intent(in) :: structID integer(pInt), intent(in) :: structID
@ -758,11 +754,12 @@ integer(pInt) pure function lattice_symmetryType(structID)
end function lattice_symmetryType end function lattice_symmetryType
!--------------------------------------------------------------------------------------------------
!> @brief Module initialization
!--------------------------------------------------------------------------------------------------
subroutine lattice_init 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,& use IO, only: IO_open_file,&
IO_open_jobFile_stat, & IO_open_jobFile_stat, &
IO_countSections, & IO_countSections, &
@ -786,12 +783,12 @@ subroutine lattice_init
#include "compilation_info.f90" #include "compilation_info.f90"
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
if (.not. IO_open_jobFile_stat(fileunit,material_localFileExt)) then ! no local material configuration present... 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 call IO_open_file(fileunit,material_configFile) ! ... open material.config file
endif endif
Nsections = IO_countSections(fileunit,material_partPhase) 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 = 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) close(fileunit)
if (iand(debug_level(debug_lattice),debug_levelBasic) /= 0_pInt) then if (iand(debug_level(debug_lattice),debug_levelBasic) /= 0_pInt) then
@ -832,11 +829,10 @@ subroutine lattice_init
end subroutine lattice_init end subroutine lattice_init
!--------------------------------------------------------------------------------------------------
!> @brief Calculation of Schmid matrices, etc.
!--------------------------------------------------------------------------------------------------
integer(pInt) function lattice_initializeStructure(struct,CoverA) integer(pInt) function lattice_initializeStructure(struct,CoverA)
!**************************************
!* Calculation of Schmid *
!* matrices, etc. *
!**************************************
use prec, only: pReal,pInt use prec, only: pReal,pInt
use math, only: math_vectorproduct, & use math, only: math_vectorproduct, &
math_tensorproduct, & math_tensorproduct, &
@ -1003,5 +999,4 @@ integer(pInt) function lattice_initializeStructure(struct,CoverA)
end function lattice_initializeStructure end function lattice_initializeStructure
end module lattice end module lattice