preparing removal of initializeStructure
This commit is contained in:
Martin Diehl
parent
839443bc85
commit
1d77af66c0
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@ -524,7 +524,7 @@ contains
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!--------------------------------------------------------------------------------------------------
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subroutine lattice_init
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integer :: Nphases, p
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integer :: Nphases, p,i
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character(len=pStringLen) :: &
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tag = ''
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real(pReal) :: CoverA
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@ -553,25 +553,8 @@ subroutine lattice_init
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allocate(lattice_Scleavage(3,3,3,lattice_maxNcleavage,Nphases),source=0.0_pReal)
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allocate(lattice_NcleavageSystem(lattice_maxNcleavageFamily,Nphases),source=0)
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do p = 1, size(config_phase)
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tag = config_phase(p)%getString('lattice_structure')
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select case(tag(1:3))
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case('iso')
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lattice_structure(p) = LATTICE_iso_ID
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case('fcc')
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lattice_structure(p) = LATTICE_fcc_ID
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case('bcc')
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lattice_structure(p) = LATTICE_bcc_ID
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case('hex')
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lattice_structure(p) = LATTICE_hex_ID
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case('bct')
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lattice_structure(p) = LATTICE_bct_ID
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case('ort')
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lattice_structure(p) = LATTICE_ort_ID
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case default
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call IO_error(130,ext_msg='lattice_init')
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end select
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do p = 1, size(config_phase)
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lattice_C66(1,1,p) = config_phase(p)%getFloat('c11',defaultVal=0.0_pReal)
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lattice_C66(1,2,p) = config_phase(p)%getFloat('c12',defaultVal=0.0_pReal)
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@ -583,9 +566,44 @@ 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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CoverA = config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)
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tag = config_phase(p)%getString('lattice_structure')
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select case(tag(1:3))
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case('iso')
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lattice_structure(p) = LATTICE_iso_ID
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case('fcc')
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lattice_structure(p) = LATTICE_fcc_ID
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case('bcc')
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lattice_structure(p) = LATTICE_bcc_ID
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case('hex')
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if(CoverA < 1.0_pReal .or. CoverA > 2.0_pReal) call IO_error(131,el=p)
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lattice_structure(p) = LATTICE_hex_ID
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case('bct')
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if(CoverA > 2.0_pReal) call IO_error(131,el=p)
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lattice_structure(p) = LATTICE_bct_ID
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case('ort')
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lattice_structure(p) = LATTICE_ort_ID
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case default
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call IO_error(130,ext_msg='lattice_init')
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end select
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lattice_C66(1:6,1:6,p) = lattice_symmetrizeC66(lattice_structure(p),lattice_C66(1:6,1:6,p))
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lattice_mu(p) = 0.2_pReal *(lattice_C66(1,1,p) -lattice_C66(1,2,p) +3.0_pReal*lattice_C66(4,4,p)) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
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lattice_nu(p) = ( lattice_C66(1,1,p) +4.0_pReal*lattice_C66(1,2,p) -2.0_pReal*lattice_C66(4,4,p)) &
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/ (4.0_pReal*lattice_C66(1,1,p) +6.0_pReal*lattice_C66(1,2,p) +2.0_pReal*lattice_C66(4,4,p))! C12iso/(C11iso+C12iso) with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
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lattice_C3333(1:3,1:3,1:3,1:3,p) = math_Voigt66to3333(lattice_C66(1:6,1:6,p)) ! Literature data is Voigt
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lattice_C66(1:6,1:6,p) = math_sym3333to66(lattice_C3333(1:3,1:3,1:3,1:3,p)) ! DAMASK uses Mandel-weighting
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do i = 1, 6
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if (abs(lattice_C66(i,i,p))<tol_math_check) &
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call IO_error(135,el=i,ip=p,ext_msg='matrix diagonal "el"ement of phase "ip"')
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enddo
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! should not be part of lattice
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lattice_thermalConductivity33(1,1,p) = config_phase(p)%getFloat('thermal_conductivity11',defaultVal=0.0_pReal)
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lattice_thermalConductivity33(2,2,p) = config_phase(p)%getFloat('thermal_conductivity22',defaultVal=0.0_pReal)
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lattice_thermalConductivity33(3,3,p) = config_phase(p)%getFloat('thermal_conductivity33',defaultVal=0.0_pReal)
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@ -605,10 +623,6 @@ subroutine lattice_init
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lattice_DamageDiffusion33(3,3,p) = config_phase(p)%getFloat( 'damage_diffusion33',defaultVal=0.0_pReal)
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lattice_DamageMobility(p) = config_phase(p)%getFloat( 'damage_mobility',defaultVal=0.0_pReal)
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if ((CoverA < 1.0_pReal .or. CoverA > 2.0_pReal) &
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.and. lattice_structure(p) == LATTICE_hex_ID) call IO_error(131,el=p) ! checking physical significance of c/a
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if ((CoverA > 2.0_pReal) &
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.and. lattice_structure(p) == LATTICE_bct_ID) call IO_error(131,el=p) ! checking physical significance of c/a
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call lattice_initializeStructure(p, CoverA)
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enddo
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@ -627,25 +641,6 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
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integer :: &
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i
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lattice_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(lattice_structure(myPhase),&
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lattice_C66(1:6,1:6,myPhase))
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lattice_mu(myPhase) = 0.2_pReal *( lattice_C66(1,1,myPhase) &
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- lattice_C66(1,2,myPhase) &
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+ 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
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lattice_nu(myPhase) = ( lattice_C66(1,1,myPhase) &
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+ 4.0_pReal*lattice_C66(1,2,myPhase) &
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- 2.0_pReal*lattice_C66(4,4,myPhase)) &
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/( 4.0_pReal*lattice_C66(1,1,myPhase) &
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+ 6.0_pReal*lattice_C66(1,2,myPhase) &
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+ 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
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lattice_C3333(1:3,1:3,1:3,1:3,myPhase) = math_Voigt66to3333(lattice_C66(1:6,1:6,myPhase)) ! Literature data is Voigt
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lattice_C66(1:6,1:6,myPhase) = math_sym3333to66(lattice_C3333(1:3,1:3,1:3,1:3,myPhase)) ! DAMASK uses Mandel-weighting
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do i = 1, 6
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if (abs(lattice_C66(i,i,myPhase))<tol_math_check) &
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call IO_error(135,el=i,ip=myPhase,ext_msg='matrix diagonal "el"ement of phase "ip"')
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enddo
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do i = 1,3
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lattice_thermalExpansion33 (1:3,1:3,i,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
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lattice_thermalExpansion33 (1:3,1:3,i,myPhase))
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