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