preparing removal of initializeStructure

This commit is contained in:
Martin Diehl 2020-02-26 07:23:29 +01:00
parent 839443bc85
commit 1d77af66c0
1 changed files with 38 additions and 43 deletions

View File

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