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DAMASK_EICMD
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reducing global variables

This commit is contained in:
Martin Diehl 2018-09-12 16:01:57 +02:00
parent 192bb6453d
commit b95174a8b7
1 changed files with 103 additions and 20 deletions
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123
src/lattice.f90
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@ -1130,6 +1130,8 @@ module lattice
!maxval(lattice_bct_interactionTwinTwin))) !maxval(lattice_bct_interactionTwinTwin)))
) !< max # of interaction types (in hardening matrix part) ) !< max # of interaction types (in hardening matrix part)
#endif #endif
real(pReal), dimension(:,:,:), allocatable, private :: &
temp66
real(pReal), dimension(:,:,:), allocatable, public, protected :: & real(pReal), dimension(:,:,:), allocatable, public, protected :: &
lattice_C66, lattice_trans_C66 lattice_C66, lattice_trans_C66
real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: & real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: &
@ -1370,15 +1372,15 @@ subroutine lattice_init
lattice_C66(5,5,p) = config_phase(p)%getFloat('c55',defaultVal=0.0_pReal) lattice_C66(5,5,p) = config_phase(p)%getFloat('c55',defaultVal=0.0_pReal)
lattice_C66(6,6,p) = config_phase(p)%getFloat('c66',defaultVal=0.0_pReal) lattice_C66(6,6,p) = config_phase(p)%getFloat('c66',defaultVal=0.0_pReal)
lattice_trans_C66(1,1,p) = config_phase(p)%getFloat('c11_trans',defaultVal=0.0_pReal) temp66(1,1,p) = config_phase(p)%getFloat('c11_trans',defaultVal=0.0_pReal)
lattice_trans_C66(1,2,p) = config_phase(p)%getFloat('c12_trans',defaultVal=0.0_pReal) temp66(1,2,p) = config_phase(p)%getFloat('c12_trans',defaultVal=0.0_pReal)
lattice_trans_C66(1,3,p) = config_phase(p)%getFloat('c13_trans',defaultVal=0.0_pReal) temp66(1,3,p) = config_phase(p)%getFloat('c13_trans',defaultVal=0.0_pReal)
lattice_trans_C66(2,2,p) = config_phase(p)%getFloat('c22_trans',defaultVal=0.0_pReal) temp66(2,2,p) = config_phase(p)%getFloat('c22_trans',defaultVal=0.0_pReal)
lattice_trans_C66(2,3,p) = config_phase(p)%getFloat('c23_trans',defaultVal=0.0_pReal) temp66(2,3,p) = config_phase(p)%getFloat('c23_trans',defaultVal=0.0_pReal)
lattice_trans_C66(3,3,p) = config_phase(p)%getFloat('c33_trans',defaultVal=0.0_pReal) temp66(3,3,p) = config_phase(p)%getFloat('c33_trans',defaultVal=0.0_pReal)
lattice_trans_C66(4,4,p) = config_phase(p)%getFloat('c44_trans',defaultVal=0.0_pReal) temp66(4,4,p) = config_phase(p)%getFloat('c44_trans',defaultVal=0.0_pReal)
lattice_trans_C66(5,5,p) = config_phase(p)%getFloat('c55_trans',defaultVal=0.0_pReal) temp66(5,5,p) = config_phase(p)%getFloat('c55_trans',defaultVal=0.0_pReal)
lattice_trans_C66(6,6,p) = config_phase(p)%getFloat('c66_trans',defaultVal=0.0_pReal) temp66(6,6,p) = config_phase(p)%getFloat('c66_trans',defaultVal=0.0_pReal)
CoverA(p) = config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal) CoverA(p) = config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)
CoverA_trans(p) = config_phase(p)%getFloat('c/a_trans',defaultVal=0.0_pReal) CoverA_trans(p) = config_phase(p)%getFloat('c/a_trans',defaultVal=0.0_pReal)
@ -1522,9 +1524,9 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
case (LATTICE_fcc_ID) case (LATTICE_fcc_ID)
select case(trans_lattice_structure(myPhase)) select case(trans_lattice_structure(myPhase))
case (LATTICE_bcc_ID) case (LATTICE_bcc_ID)
lattice_trans_C66(1:6,1:6,myPhase) = lattice_C66(1:6,1:6,myPhase) temp66(1:6,1:6,myPhase) = lattice_C66(1:6,1:6,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_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)) temp66(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 do i = 1_pInt, 6_pInt
if (abs(lattice_trans_C66(i,i,myPhase))<tol_math_check) & 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" in fcc-->bcc transformation') call IO_error(135_pInt,el=i,ip=myPhase,ext_msg='matrix diagonal "el"ement of phase "ip" in fcc-->bcc transformation')
@ -1539,18 +1541,18 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
/(3.0_pReal*sqrt(2.0_pReal)) /(3.0_pReal*sqrt(2.0_pReal))
A = c14bar**(2.0_pReal)/c44bar A = c14bar**(2.0_pReal)/c44bar
B = c14bar**(2.0_pReal)/(0.5_pReal*(c11bar - c12bar)) B = c14bar**(2.0_pReal)/(0.5_pReal*(c11bar - c12bar))
lattice_trans_C66(1,1,myPhase) = c11bar - A temp66(1,1,myPhase) = c11bar - A
lattice_trans_C66(1,2,myPhase) = c12bar + A temp66(1,2,myPhase) = c12bar + A
lattice_trans_C66(1,3,myPhase) = c13bar temp66(1,3,myPhase) = c13bar
lattice_trans_C66(3,3,myPhase) = c33bar temp66(3,3,myPhase) = c33bar
lattice_trans_C66(4,4,myPhase) = c44bar - B temp66(4,4,myPhase) = c44bar - B
lattice_trans_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(trans_lattice_structure(myPhase),& temp66(1:6,1:6,myPhase) = lattice_symmetrizeC66(trans_lattice_structure(myPhase),&
lattice_trans_C66(1:6,1:6,myPhase)) lattice_trans_C66(1:6,1:6,myPhase))
lattice_trans_C3333(1:3,1:3,1:3,1:3,myPhase) = math_Voigt66to3333(lattice_trans_C66(1:6,1:6,myPhase)) lattice_trans_C3333(1:3,1:3,1:3,1:3,myPhase) = math_Voigt66to3333(temp66(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)) temp66(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 do i = 1_pInt, 6_pInt
if (abs(lattice_trans_C66(i,i,myPhase))<tol_math_check) & if (abs(temp66(i,i,myPhase))<tol_math_check) &
call IO_error(135_pInt,el=i,ip=myPhase,ext_msg='matrix diagonal "el"ement of phase "ip" in fcc-->hex transformation') call IO_error(135_pInt,el=i,ip=myPhase,ext_msg='matrix diagonal "el"ement of phase "ip" in fcc-->hex transformation')
enddo enddo
end select end select
@ -2113,6 +2115,86 @@ function lattice_C66_twin(Ntwin,C66,structure,CoverA)
end function end function
!function lattice_C66_trans(Ntrans,C66_parent,C66_targetstructure_parent,cOverA_parent,structure_target,cOverA_target)
! use IO, only: &
! IO_error
! use math, only: &
! INRAD, &
! math_axisAngleToR, &
! math_Mandel3333to66, &
! math_Mandel66to3333, &
! math_rotate_forward3333
!
! implicit none
! integer(pInt), dimension(:), intent(in) :: Ntrans !< number of active twin systems per family
! character(len=*), intent(in) :: &
! structure_target, & !< lattice structure
! structure_parent !< lattice structure
! real(pReal), dimension(6,6), intent(in) :: C66_target
! real(pReal), intent(in) :: cOverA_parent, cOverA_target
! real(pReal), dimension(6,6,sum(Ntarget)) :: lattice_C66_trans
!
! real(pReal), dimension(3,3,sum(Ntarget)) :: coordinateSystem
!
! real(pReal), dimension(3,3) :: R
! integer(pInt) :: i
!
! if (trim(structure) == 'fcc' .and. trim(targetStructure) == 'hex') then
! 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))
! temp66(1,1,myPhase) = c11bar - A
! temp66(1,2,myPhase) = c12bar + A
! temp66(1,3,myPhase) = c13bar
! temp66(3,3,myPhase) = c33bar
! temp66(4,4,myPhase) = c44bar - B
!
! temp66(1:6,1:6,myPhase) = lattice_symmetrizeC66(trans_lattice_structure(myPhase),&
! lattice_trans_C66(1:6,1:6,myPhase))
! lattice_trans_C3333(1:3,1:3,1:3,1:3,myPhase) = math_Voigt66to3333(temp66(1:6,1:6,myPhase))
! temp66(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(temp66(i,i,myPhase))<tol_math_check) &
! call IO_error(135_pInt,el=i,ip=myPhase,ext_msg='matrix diagonal "el"ement of phase "ip" in fcc-->hex transformation')
! enddo
!
!! Elasticity matrices for transformed phase
! select case(lattice_structure(myPhase))
! case (LATTICE_fcc_ID)
! select case(trans_lattice_structure(myPhase))
! case (LATTICE_bcc_ID)
! temp66(1:6,1:6,myPhase) = lattice_C66(1:6,1:6,myPhase)
! lattice_trans_C3333(1:3,1:3,1:3,1:3,myPhase) = lattice_C3333(1:3,1:3,1:3,1:3,myPhase)
! temp66(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" in fcc-->bcc transformation')
! enddo
! case (LATTICE_hex_ID)
!select case(structure)
! case('fcc')
! coordinateSystem = buildCoordinateSystem(Ntwin,int(LATTICE_FCC_SYSTEMTWIN,pInt),structure)
! case('bcc')
! coordinateSystem = buildCoordinateSystem(Ntwin,int(LATTICE_BCC_SYSTEMTWIN,pInt),structure)
! case('hex','hexagonal') !ToDo: "No alias policy": long or short?
! coordinateSystem = buildCoordinateSystem(Ntwin,int(LATTICE_HEX_SYSTEMTWIN,pInt),'hex',cOverA)
! case default
! call IO_error(130_pInt,ext_msg=trim(structure)//' (lattice_C66_twin)')
! end select
! do i = 1, sum(Ntwin)
! R = math_axisAngleToR(coordinateSystem(1:3,2,i), 180.0_pReal * INRAD) ! ToDo: Why always 180 deg?
! lattice_C66_twin(1:6,1:6,i) = math_Mandel3333to66(math_rotate_forward3333(math_Mandel66to3333(C66),R))
! enddo
!
!end function
!function lattice_nonSchmidMatrix !function lattice_nonSchmidMatrix
! coordinateSystem = buildCoordinateSystem(Nslip,int(LATTICE_BCC_SYSTEMSLIP,pInt),structure) ! coordinateSystem = buildCoordinateSystem(Nslip,int(LATTICE_BCC_SYSTEMSLIP,pInt),structure)
! !
@ -2374,6 +2456,7 @@ end function buildInteraction
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief build a local coordinate system in a slip, twin, trans, cleavage system !> @brief build a local coordinate system in a slip, twin, trans, cleavage system
!> @details: Order: Direction, plane (normal), and common perpendicular
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function buildCoordinateSystem(active,system,structure,cOverA) pure function buildCoordinateSystem(active,system,structure,cOverA)
use math, only: & use math, only: &