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moved reading in of lattice stru

This commit is contained in:
Martin Diehl 2014-02-10 14:31:19 +00:00
parent 85e4896478
commit d45aea4467
5 changed files with 377 additions and 366 deletions
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2
code/constitutive_dislotwin.f90
View File

@ -39,7 +39,7 @@ module constitutive_dislotwin
constitutive_dislotwin_sizePostResults !< cumulative size of post results constitutive_dislotwin_sizePostResults !< cumulative size of post results
integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public :: & integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public :: &
constitutive_dislotwin_structureID !< ID of the lattice structure !< name of the lattice structure constitutive_dislotwin_structureID !< ID of the lattice structure
integer(pInt), dimension(:,:), allocatable, target, public :: & integer(pInt), dimension(:,:), allocatable, target, public :: &
constitutive_dislotwin_sizePostResult !< size of each post result output constitutive_dislotwin_sizePostResult !< size of each post result output

58
code/constitutive_j2.f90
View File

@ -30,8 +30,6 @@ module constitutive_j2
use prec, only: & use prec, only: &
pReal,& pReal,&
pInt pInt
use lattice, only: &
LATTICE_undefined_ID
implicit none implicit none
private private
@ -46,9 +44,6 @@ module constitutive_j2
character(len=64), dimension(:,:), allocatable, target, public :: & character(len=64), dimension(:,:), allocatable, target, public :: &
constitutive_j2_output !< name of each post result output constitutive_j2_output !< name of each post result output
integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public :: &
constitutive_j2_structureID !< ID of the lattice structure
integer(pInt), dimension(:), allocatable, private :: & integer(pInt), dimension(:), allocatable, private :: &
constitutive_j2_Noutput !< number of outputs per instance constitutive_j2_Noutput !< number of outputs per instance
@ -134,8 +129,6 @@ subroutine constitutive_j2_init(fileUnit)
integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions
integer(pInt) :: section = 0_pInt, maxNinstance, i,o, mySize integer(pInt) :: section = 0_pInt, maxNinstance, i,o, mySize
character(len=32) :: &
structure = ''
character(len=65536) :: & character(len=65536) :: &
tag = '', & tag = '', &
line = '' line = ''
@ -159,7 +152,6 @@ subroutine constitutive_j2_init(fileUnit)
constitutive_j2_output = '' constitutive_j2_output = ''
allocate(constitutive_j2_outputID(maxval(phase_Noutput),maxNinstance), source=undefined_ID) allocate(constitutive_j2_outputID(maxval(phase_Noutput),maxNinstance), source=undefined_ID)
allocate(constitutive_j2_Noutput(maxNinstance), source=0_pInt) allocate(constitutive_j2_Noutput(maxNinstance), source=0_pInt)
allocate(constitutive_j2_structureID(maxNinstance), source=LATTICE_undefined_ID)
allocate(constitutive_j2_Cslip_66(6,6,maxNinstance), source=0.0_pReal) allocate(constitutive_j2_Cslip_66(6,6,maxNinstance), source=0.0_pReal)
allocate(constitutive_j2_fTaylor(maxNinstance), source=0.0_pReal) allocate(constitutive_j2_fTaylor(maxNinstance), source=0.0_pReal)
allocate(constitutive_j2_tau0(maxNinstance), source=0.0_pReal) allocate(constitutive_j2_tau0(maxNinstance), source=0.0_pReal)
@ -189,15 +181,19 @@ subroutine constitutive_j2_init(fileUnit)
endif endif
if (IO_getTag(line,'[',']') /= '') then ! next section if (IO_getTag(line,'[',']') /= '') then ! next section
section = section + 1_pInt ! advance section counter section = section + 1_pInt ! advance section counter
if (phase_plasticity(section) == PLASTICITY_J2_ID) then
i = phase_plasticityInstance(section)
constitutive_j2_Cslip_66(1:6,1:6,i) = lattice_Cslip_66(1:6,1:6,section)
endif
cycle ! skip to next line cycle ! skip to next line
endif endif
if (section > 0_pInt ) then ! do not short-circuit here (.and. with next if-statement). It's not safe in Fortran if (section > 0_pInt ) then; if (phase_plasticity(section) == PLASTICITY_J2_ID) then ! one of my sections. Do not short-circuit here (.and. between if-statements), it's not safe in Fortran
if (phase_plasticity(section) == PLASTICITY_J2_ID) then ! one of my sections
i = phase_plasticityInstance(section) ! which instance of my plasticity is present phase i = phase_plasticityInstance(section) ! which instance of my plasticity is present phase
positions = IO_stringPos(line,MAXNCHUNKS) positions = IO_stringPos(line,MAXNCHUNKS)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag) select case(tag)
case ('plasticity','elasticity') case ('plasticity','elasticity','lattice_structure',&
'c11','c12','c13','c22','c23','c33','c44','c55','c66')
case ('(output)') case ('(output)')
constitutive_j2_Noutput(i) = constitutive_j2_Noutput(i) + 1_pInt constitutive_j2_Noutput(i) = constitutive_j2_Noutput(i) + 1_pInt
constitutive_j2_output(constitutive_j2_Noutput(i),i) = & constitutive_j2_output(constitutive_j2_Noutput(i),i) = &
@ -210,38 +206,6 @@ subroutine constitutive_j2_init(fileUnit)
case default case default
call IO_error(105_pInt,ext_msg=IO_stringValue(line,positions,2_pInt)//' ('//PLASTICITY_J2_label//')') call IO_error(105_pInt,ext_msg=IO_stringValue(line,positions,2_pInt)//' ('//PLASTICITY_J2_label//')')
end select end select
case ('lattice_structure')
structure = IO_lc(IO_stringValue(line,positions,2_pInt))
select case(structure(1:3))
case(LATTICE_iso_label)
constitutive_j2_structureID(i) = LATTICE_iso_ID
case(LATTICE_fcc_label)
constitutive_j2_structureID(i) = LATTICE_fcc_ID
case(LATTICE_bcc_label)
constitutive_j2_structureID(i) = LATTICE_bcc_ID
case(LATTICE_hex_label)
constitutive_j2_structureID(i) = LATTICE_hex_ID
case(LATTICE_ort_label)
constitutive_j2_structureID(i) = LATTICE_ort_ID
end select
case ('c11')
constitutive_j2_Cslip_66(1,1,i) = IO_floatValue(line,positions,2_pInt)
case ('c12')
constitutive_j2_Cslip_66(1,2,i) = IO_floatValue(line,positions,2_pInt)
case ('c13')
constitutive_j2_Cslip_66(1,3,i) = IO_floatValue(line,positions,2_pInt)
case ('c22')
constitutive_j2_Cslip_66(2,2,i) = IO_floatValue(line,positions,2_pInt)
case ('c23')
constitutive_j2_Cslip_66(2,3,i) = IO_floatValue(line,positions,2_pInt)
case ('c33')
constitutive_j2_Cslip_66(3,3,i) = IO_floatValue(line,positions,2_pInt)
case ('c44')
constitutive_j2_Cslip_66(4,4,i) = IO_floatValue(line,positions,2_pInt)
case ('c55')
constitutive_j2_Cslip_66(5,5,i) = IO_floatValue(line,positions,2_pInt)
case ('c66')
constitutive_j2_Cslip_66(6,6,i) = IO_floatValue(line,positions,2_pInt)
case ('tau0') case ('tau0')
constitutive_j2_tau0(i) = IO_floatValue(line,positions,2_pInt) constitutive_j2_tau0(i) = IO_floatValue(line,positions,2_pInt)
if (constitutive_j2_tau0(i) < 0.0_pReal) & if (constitutive_j2_tau0(i) < 0.0_pReal) &
@ -285,8 +249,7 @@ subroutine constitutive_j2_init(fileUnit)
case default case default
call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_J2_label//')') call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_J2_label//')')
end select end select
endif endif; endif
endif
enddo enddo
instancesLoop: do i = 1_pInt,maxNinstance instancesLoop: do i = 1_pInt,maxNinstance
@ -303,11 +266,6 @@ subroutine constitutive_j2_init(fileUnit)
constitutive_j2_sizePostResults(i) + mySize constitutive_j2_sizePostResults(i) + mySize
endif endif
enddo outputsLoop enddo outputsLoop
constitutive_j2_Cslip_66(1:6,1:6,i) = &
lattice_symmetrizeC66(constitutive_j2_structureID(i),constitutive_j2_Cslip_66(1:6,1:6,i))
constitutive_j2_Cslip_66(1:6,1:6,i) = & ! Literature data is Voigt, DAMASK uses Mandel
math_Mandel3333to66(math_Voigt66to3333(constitutive_j2_Cslip_66(1:6,1:6,i)))
enddo instancesLoop enddo instancesLoop
end subroutine constitutive_j2_init end subroutine constitutive_j2_init

99
code/constitutive_phenopowerlaw.f90
View File

@ -28,8 +28,6 @@ module constitutive_phenopowerlaw
use prec, only: & use prec, only: &
pReal,& pReal,&
pInt pInt
use lattice, only: &
LATTICE_undefined_ID
implicit none implicit none
private private
@ -45,9 +43,6 @@ module constitutive_phenopowerlaw
character(len=64), dimension(:,:), allocatable, target, public :: & character(len=64), dimension(:,:), allocatable, target, public :: &
constitutive_phenopowerlaw_output !< name of each post result output constitutive_phenopowerlaw_output !< name of each post result output
integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public :: &
constitutive_phenopowerlaw_structureID !< ID of the lattice structure
integer(pInt), dimension(:), allocatable, private :: & integer(pInt), dimension(:), allocatable, private :: &
constitutive_phenopowerlaw_Noutput, & !< number of outputs per instance of this constitution constitutive_phenopowerlaw_Noutput, & !< number of outputs per instance of this constitution
constitutive_phenopowerlaw_totalNslip, & !< no. of slip system used in simulation constitutive_phenopowerlaw_totalNslip, & !< no. of slip system used in simulation
@ -208,7 +203,6 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
constitutive_phenopowerlaw_output = '' constitutive_phenopowerlaw_output = ''
allocate(constitutive_phenopowerlaw_outputID(maxval(phase_Noutput),maxNinstance),source=undefined_ID) allocate(constitutive_phenopowerlaw_outputID(maxval(phase_Noutput),maxNinstance),source=undefined_ID)
allocate(constitutive_phenopowerlaw_Noutput(maxNinstance), source=0_pInt) allocate(constitutive_phenopowerlaw_Noutput(maxNinstance), source=0_pInt)
allocate(constitutive_phenopowerlaw_structureID(maxNinstance), source=LATTICE_undefined_ID)
allocate(constitutive_phenopowerlaw_structure(maxNinstance), source=0_pInt) allocate(constitutive_phenopowerlaw_structure(maxNinstance), source=0_pInt)
allocate(constitutive_phenopowerlaw_Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt) allocate(constitutive_phenopowerlaw_Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt)
allocate(constitutive_phenopowerlaw_Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt) allocate(constitutive_phenopowerlaw_Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt)
@ -264,15 +258,28 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
endif endif
if (IO_getTag(line,'[',']') /= '') then ! next section if (IO_getTag(line,'[',']') /= '') then ! next section
section = section + 1_pInt ! advance section counter section = section + 1_pInt ! advance section counter
if (phase_plasticity(section) == PLASTICITY_PHENOPOWERLAW_ID) then
i = phase_plasticityInstance(section)
constitutive_phenopowerlaw_Cslip_66(1:6,1:6,i) = lattice_Cslip_66(1:6,1:6,section)
constitutive_phenopowerlaw_structure(i) = lattice_structure(section)
configNchunks = lattice_configNchunks(lattice_structureID(section))
Nchunks_SlipFamilies = configNchunks(1)
Nchunks_TwinFamilies = configNchunks(2)
Nchunks_SlipSlip = configNchunks(3)
Nchunks_SlipTwin = configNchunks(4)
Nchunks_TwinSlip = configNchunks(5)
Nchunks_TwinTwin = configNchunks(6)
Nchunks_nonSchmid = configNchunks(7)
endif
cycle ! skip to next line cycle ! skip to next line
endif endif
if (section > 0_pInt ) then ! do not short-circuit here (.and. with next if-statement). It's not safe in Fortran if (section > 0_pInt ) then; if (phase_plasticity(section) == PLASTICITY_PHENOPOWERLAW_ID) then ! one of my sections. Do not short-circuit here (.and. between if-statements), it's not safe in Fortran
if (phase_plasticity(section) == PLASTICITY_PHENOPOWERLAW_ID) then ! one of my sections
i = phase_plasticityInstance(section) ! which instance of my plasticity is present phase i = phase_plasticityInstance(section) ! which instance of my plasticity is present phase
positions = IO_stringPos(line,MAXNCHUNKS) positions = IO_stringPos(line,MAXNCHUNKS)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag) select case(tag)
case ('plasticity','elasticity') case ('plasticity','elasticity','lattice_structure',&
'c11','c12','c13','c22','c23','c33','c44','c55','c66')
case ('(output)') case ('(output)')
constitutive_phenopowerlaw_Noutput(i) = constitutive_phenopowerlaw_Noutput(i) + 1_pInt constitutive_phenopowerlaw_Noutput(i) = constitutive_phenopowerlaw_Noutput(i) + 1_pInt
constitutive_phenopowerlaw_output(constitutive_phenopowerlaw_Noutput(i),i) = & constitutive_phenopowerlaw_output(constitutive_phenopowerlaw_Noutput(i),i) = &
@ -301,66 +308,6 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
case default case default
call IO_error(105_pInt,ext_msg=IO_stringValue(line,positions,2_pInt)//' ('//PLASTICITY_PHENOPOWERLAW_label//')') call IO_error(105_pInt,ext_msg=IO_stringValue(line,positions,2_pInt)//' ('//PLASTICITY_PHENOPOWERLAW_label//')')
end select end select
case ('lattice_structure')
structure = IO_lc(IO_stringValue(line,positions,2_pInt))
select case(structure(1:3))
case(LATTICE_iso_label)
constitutive_phenopowerlaw_structureID(i) = LATTICE_iso_ID
case(LATTICE_fcc_label)
constitutive_phenopowerlaw_structureID(i) = LATTICE_fcc_ID
case(LATTICE_bcc_label)
constitutive_phenopowerlaw_structureID(i) = LATTICE_bcc_ID
case(LATTICE_hex_label)
constitutive_phenopowerlaw_structureID(i) = LATTICE_hex_ID
case(LATTICE_ort_label)
constitutive_phenopowerlaw_structureID(i) = LATTICE_ort_ID
end select
configNchunks = lattice_configNchunks(constitutive_phenopowerlaw_structureID(i))
Nchunks_SlipFamilies = configNchunks(1)
Nchunks_TwinFamilies = configNchunks(2)
Nchunks_SlipSlip = configNchunks(3)
Nchunks_SlipTwin = configNchunks(4)
Nchunks_TwinSlip = configNchunks(5)
Nchunks_TwinTwin = configNchunks(6)
Nchunks_nonSchmid = configNchunks(7)
case ('covera_ratio')
constitutive_phenopowerlaw_CoverA(i) = IO_floatValue(line,positions,2_pInt)
case ('c11')
constitutive_phenopowerlaw_Cslip_66(1,1,i) = IO_floatValue(line,positions,2_pInt)
if (abs(constitutive_phenopowerlaw_Cslip_66(1,1,i)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_PHENOPOWERLAW_label//')')
case ('c12')
constitutive_phenopowerlaw_Cslip_66(1,2,i) = IO_floatValue(line,positions,2_pInt)
if (abs(constitutive_phenopowerlaw_Cslip_66(1,2,i)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_PHENOPOWERLAW_label//')')
case ('c13')
constitutive_phenopowerlaw_Cslip_66(1,3,i) = IO_floatValue(line,positions,2_pInt)
if (abs(constitutive_phenopowerlaw_Cslip_66(1,3,i)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_PHENOPOWERLAW_label//')')
case ('c22')
constitutive_phenopowerlaw_Cslip_66(2,2,i) = IO_floatValue(line,positions,2_pInt)
if (abs(constitutive_phenopowerlaw_Cslip_66(2,2,i)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_PHENOPOWERLAW_label//')')
case ('c23')
constitutive_phenopowerlaw_Cslip_66(2,3,i) = IO_floatValue(line,positions,2_pInt)
if (abs(constitutive_phenopowerlaw_Cslip_66(2,3,i)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_PHENOPOWERLAW_label//')')
case ('c33')
constitutive_phenopowerlaw_Cslip_66(3,3,i) = IO_floatValue(line,positions,2_pInt)
if (abs(constitutive_phenopowerlaw_Cslip_66(3,3,i)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_PHENOPOWERLAW_label//')')
case ('c44')
constitutive_phenopowerlaw_Cslip_66(4,4,i) = IO_floatValue(line,positions,2_pInt)
if (abs(constitutive_phenopowerlaw_Cslip_66(4,4,i)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_PHENOPOWERLAW_label//')')
case ('c55')
constitutive_phenopowerlaw_Cslip_66(5,5,i) = IO_floatValue(line,positions,2_pInt)
if (abs(constitutive_phenopowerlaw_Cslip_66(5,5,i)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_PHENOPOWERLAW_label//')')
case ('c66')
constitutive_phenopowerlaw_Cslip_66(6,6,i) = IO_floatValue(line,positions,2_pInt)
if (abs(constitutive_phenopowerlaw_Cslip_66(6,6,i)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_PHENOPOWERLAW_label//')')
case ('nslip') case ('nslip')
if (positions(1) < 1_pInt + Nchunks_SlipFamilies) & if (positions(1) < 1_pInt + Nchunks_SlipFamilies) &
call IO_warning(50_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_PHENOPOWERLAW_label//')') call IO_warning(50_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_PHENOPOWERLAW_label//')')
@ -455,14 +402,10 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
case default case default
call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_PHENOPOWERLAW_label//')') call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_PHENOPOWERLAW_label//')')
end select end select
endif endif; endif
endif
enddo enddo
sanityChecks: do i = 1_pInt,maxNinstance sanityChecks: do i = 1_pInt,maxNinstance
constitutive_phenopowerlaw_structure(i) = &
lattice_initializeStructure(constitutive_phenopowerlaw_structureID(i), constitutive_phenopowerlaw_CoverA(i)) ! get structure
constitutive_phenopowerlaw_Nslip(1:lattice_maxNslipFamily,i) = & constitutive_phenopowerlaw_Nslip(1:lattice_maxNslipFamily,i) = &
min(lattice_NslipSystem(1:lattice_maxNslipFamily,constitutive_phenopowerlaw_structure(i)),& ! limit active slip systems per family to min of available and requested min(lattice_NslipSystem(1:lattice_maxNslipFamily,constitutive_phenopowerlaw_structure(i)),& ! limit active slip systems per family to min of available and requested
constitutive_phenopowerlaw_Nslip(1:lattice_maxNslipFamily,i)) constitutive_phenopowerlaw_Nslip(1:lattice_maxNslipFamily,i))
@ -472,7 +415,6 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
constitutive_phenopowerlaw_totalNslip(i) = sum(constitutive_phenopowerlaw_Nslip(:,i)) ! how many slip systems altogether constitutive_phenopowerlaw_totalNslip(i) = sum(constitutive_phenopowerlaw_Nslip(:,i)) ! how many slip systems altogether
constitutive_phenopowerlaw_totalNtwin(i) = sum(constitutive_phenopowerlaw_Ntwin(:,i)) ! how many twin systems altogether constitutive_phenopowerlaw_totalNtwin(i) = sum(constitutive_phenopowerlaw_Ntwin(:,i)) ! how many twin systems altogether
if (constitutive_phenopowerlaw_structure(i) < 1 ) call IO_error(205_pInt,el=i)
if (any(constitutive_phenopowerlaw_tau0_slip(:,i) < 0.0_pReal .and. & if (any(constitutive_phenopowerlaw_tau0_slip(:,i) < 0.0_pReal .and. &
constitutive_phenopowerlaw_Nslip(:,i) > 0)) call IO_error(211_pInt,el=i,ext_msg='tau0_slip (' & constitutive_phenopowerlaw_Nslip(:,i) > 0)) call IO_error(211_pInt,el=i,ext_msg='tau0_slip (' &
//PLASTICITY_PHENOPOWERLAW_label//')') //PLASTICITY_PHENOPOWERLAW_label//')')
@ -556,13 +498,6 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
structID = constitutive_phenopowerlaw_structure(i) structID = constitutive_phenopowerlaw_structure(i)
constitutive_phenopowerlaw_Cslip_66(1:6,1:6,i) = &
lattice_symmetrizeC66(constitutive_phenopowerlaw_structureID(i),&
constitutive_phenopowerlaw_Cslip_66(:,:,i)) ! assign elasticity tensor
constitutive_phenopowerlaw_Cslip_66(1:6,1:6,i) = &
math_Mandel3333to66(math_Voigt66to3333(constitutive_phenopowerlaw_Cslip_66(:,:,i)))
do f = 1_pInt,lattice_maxNslipFamily ! >>> interaction slip -- X do f = 1_pInt,lattice_maxNslipFamily ! >>> interaction slip -- X
index_myFamily = sum(constitutive_phenopowerlaw_Nslip(1:f-1_pInt,i)) index_myFamily = sum(constitutive_phenopowerlaw_Nslip(1:f-1_pInt,i))
do j = 1_pInt,constitutive_phenopowerlaw_Nslip(f,i) ! loop over (active) systems in my family (slip) do j = 1_pInt,constitutive_phenopowerlaw_Nslip(f,i) ! loop over (active) systems in my family (slip)

8
code/crystallite.f90
View File

@ -189,11 +189,10 @@ subroutine crystallite_init(temperature)
IO_EOF IO_EOF
use material use material
use lattice, only: & use lattice, only: &
lattice_symmetryType lattice_symmetryType, &
lattice_structureID
use constitutive, only: & use constitutive, only: &
constitutive_microstructure constitutive_microstructure
use constitutive_phenopowerlaw, only: &
constitutive_phenopowerlaw_structureID
use constitutive_dislotwin, only: & use constitutive_dislotwin, only: &
constitutive_dislotwin_structureID constitutive_dislotwin_structureID
use constitutive_titanmod, only: & use constitutive_titanmod, only: &
@ -445,8 +444,7 @@ subroutine crystallite_init(temperature)
myMat = phase_plasticityInstance(myPhase) myMat = phase_plasticityInstance(myPhase)
select case (phase_plasticity(myPhase)) select case (phase_plasticity(myPhase))
case (PLASTICITY_PHENOPOWERLAW_ID) case (PLASTICITY_PHENOPOWERLAW_ID)
crystallite_symmetryID(g,i,e) = & crystallite_symmetryID(g,i,e) = lattice_symmetryType(lattice_structureID(myPhase))
lattice_symmetryType(constitutive_phenopowerlaw_structureID(myMat))
case (PLASTICITY_TITANMOD_ID) case (PLASTICITY_TITANMOD_ID)
crystallite_symmetryID(g,i,e) = & crystallite_symmetryID(g,i,e) = &
lattice_symmetryType(constitutive_titanmod_structureID(myMat)) lattice_symmetryType(constitutive_titanmod_structureID(myMat))

170
code/lattice.f90
View File

@ -698,6 +698,12 @@ module lattice
LATTICE_hex_ID, & LATTICE_hex_ID, &
LATTICE_ort_ID LATTICE_ort_ID
end enum end enum
integer(pInt), dimension(:), allocatable, public, protected :: &
lattice_structure
integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public, protected :: &
lattice_structureID
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
lattice_Cslip_66
character(len=*), parameter, public :: & character(len=*), parameter, public :: &
LATTICE_iso_label = 'iso', & LATTICE_iso_label = 'iso', &
LATTICE_fcc_label = 'fcc', & LATTICE_fcc_label = 'fcc', &
@ -725,13 +731,25 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine lattice_init subroutine lattice_init
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 prec, only: &
tol_math_check
use IO, only: & use IO, only: &
IO_open_file,& IO_open_file,&
IO_open_jobFile_stat, & IO_open_jobFile_stat, &
IO_countSections, & IO_countSections, &
IO_countTagInPart, & IO_countTagInPart, &
IO_error, & IO_error, &
IO_timeStamp IO_timeStamp, &
IO_stringPos, &
IO_EOF, &
IO_read, &
IO_lc, &
IO_getTag, &
IO_isBlank, &
IO_stringPos, &
IO_stringValue, &
IO_floatValue, &
IO_EOF
use material, only: & use material, only: &
material_configfile, & material_configfile, &
material_localFileExt, & material_localFileExt, &
@ -740,10 +758,23 @@ subroutine lattice_init
debug_level, & debug_level, &
debug_lattice, & debug_lattice, &
debug_levelBasic debug_levelBasic
use math, only: &
math_Mandel3333to66, &
math_Voigt66to3333
implicit none implicit none
integer(pInt), parameter :: FILEUNIT = 200_pInt integer(pInt), parameter :: FILEUNIT = 200_pInt
integer(pInt) :: Nsections integer(pInt) :: Nsections
character(len=32) :: &
structure = ''
character(len=65536) :: &
tag = '', &
line = ''
integer(pInt), parameter :: MAXNCHUNKS = 2_pInt
integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions
integer(pInt) :: section = 0_pInt,i
real(pReal), dimension(:), allocatable :: CoverA
write(6,'(/,a)') ' <<<+- lattice init -+>>>' write(6,'(/,a)') ' <<<+- lattice init -+>>>'
write(6,'(a)') ' $Id$' write(6,'(a)') ' $Id$'
@ -754,40 +785,129 @@ subroutine lattice_init
call IO_open_file(FILEUNIT,material_configFile) ! ... open material.config file call IO_open_file(FILEUNIT,material_configFile) ! ... open material.config file
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
close(FILEUNIT)
allocate(lattice_structure(Nsections), source=0_pInt)
allocate(lattice_structureID(Nsections), source=LATTICE_undefined_ID)
allocate(lattice_Cslip_66(6,6,Nsections),source=0.0_pReal)
allocate(CoverA(Nsections), source=0.0_pReal)
rewind(fileUnit)
line = '' ! to have it initialized
section = 0_pInt ! - " -
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partPhase) ! wind forward to <Phase>
line = IO_read(fileUnit)
enddo
do while (trim(line) /= IO_EOF) ! read through sections of material part
line = IO_read(fileUnit)
if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') then ! stop at next part
line = IO_read(fileUnit, .true.) ! reset IO_read
exit
endif
if (IO_getTag(line,'[',']') /= '') then ! next section
section = section + 1_pInt
endif
if (section > 0_pInt) then
positions = IO_stringPos(line,MAXNCHUNKS)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag)
case ('lattice_structure')
structure = IO_lc(IO_stringValue(line,positions,2_pInt))
select case(structure(1:3))
case(LATTICE_iso_label)
lattice_structureID(section) = LATTICE_iso_ID
case(LATTICE_fcc_label)
lattice_structureID(section) = LATTICE_fcc_ID
case(LATTICE_bcc_label)
lattice_structureID(section) = LATTICE_bcc_ID
case(LATTICE_hex_label)
lattice_structureID(section) = LATTICE_hex_ID
case(LATTICE_ort_label)
lattice_structureID(section) = LATTICE_ort_ID
case default
!there should be an error here
end select
case ('c11')
lattice_Cslip_66(1,1,section) = IO_floatValue(line,positions,2_pInt)
if (abs(lattice_Cslip_66(1,1,section)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' (C11)')
case ('c12')
lattice_Cslip_66(1,2,section) = IO_floatValue(line,positions,2_pInt)
if (abs(lattice_Cslip_66(1,1,section)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' (C12)')
case ('c13')
lattice_Cslip_66(1,3,section) = IO_floatValue(line,positions,2_pInt)
if (abs(lattice_Cslip_66(1,1,section)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' (C13)')
case ('c22')
lattice_Cslip_66(2,2,section) = IO_floatValue(line,positions,2_pInt)
if (abs(lattice_Cslip_66(1,1,section)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' (C22)')
case ('c23')
lattice_Cslip_66(2,3,section) = IO_floatValue(line,positions,2_pInt)
if (abs(lattice_Cslip_66(1,1,section)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' (C23)')
case ('c33')
lattice_Cslip_66(3,3,section) = IO_floatValue(line,positions,2_pInt)
if (abs(lattice_Cslip_66(1,1,section)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' (C33)')
case ('c44')
lattice_Cslip_66(4,4,section) = IO_floatValue(line,positions,2_pInt)
if (abs(lattice_Cslip_66(1,1,section)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' (C44)')
case ('c55')
lattice_Cslip_66(5,5,section) = IO_floatValue(line,positions,2_pInt)
if (abs(lattice_Cslip_66(1,1,section)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' (C55)')
case ('c66')
lattice_Cslip_66(6,6,section) = IO_floatValue(line,positions,2_pInt)
if (abs(lattice_Cslip_66(1,1,section)) < tol_math_check) &
call IO_error(214_pInt,ext_msg=trim(tag)//' (C66)')
case ('covera_ratio')
CoverA(section) = IO_floatValue(line,positions,2_pInt)
end select
endif
enddo
if (iand(debug_level(debug_lattice),debug_levelBasic) /= 0_pInt) then if (iand(debug_level(debug_lattice),debug_levelBasic) /= 0_pInt) then
write(6,'(a16,1x,i5)') ' # phases:',Nsections write(6,'(a16,1x,i5)') ' # phases:',Nsections
write(6,'(a16,1x,i5,/)') ' # structures:',lattice_Nstructure write(6,'(a16,1x,i5,/)') ' # structures:',lattice_Nstructure
endif endif
allocate(lattice_NnonSchmid(lattice_Nstructure)); lattice_NnonSchmid = 0_pInt allocate(lattice_NnonSchmid(lattice_Nstructure), source=0_pInt)
allocate(lattice_Sslip(3,3,1+2*lattice_maxNnonSchmid,lattice_maxNslip,lattice_Nstructure)); lattice_Sslip = 0.0_pReal allocate(lattice_Sslip(3,3,1+2*lattice_maxNnonSchmid,lattice_maxNslip,lattice_Nstructure),source= 0.0_pReal)
allocate(lattice_Sslip_v(6,1+2*lattice_maxNnonSchmid,lattice_maxNslip,lattice_Nstructure)); lattice_Sslip_v = 0.0_pReal allocate(lattice_Sslip_v(6,1+2*lattice_maxNnonSchmid,lattice_maxNslip,lattice_Nstructure),source = 0.0_pReal)
allocate(lattice_sd(3,lattice_maxNslip,lattice_Nstructure)); lattice_sd = 0.0_pReal allocate(lattice_sd(3,lattice_maxNslip,lattice_Nstructure),source=0.0_pReal)
allocate(lattice_st(3,lattice_maxNslip,lattice_Nstructure)); lattice_st = 0.0_pReal allocate(lattice_st(3,lattice_maxNslip,lattice_Nstructure),source=0.0_pReal)
allocate(lattice_sn(3,lattice_maxNslip,lattice_Nstructure)); lattice_sn = 0.0_pReal allocate(lattice_sn(3,lattice_maxNslip,lattice_Nstructure),source=0.0_pReal)
allocate(lattice_Qtwin(3,3,lattice_maxNtwin,lattice_Nstructure)); lattice_Qtwin = 0.0_pReal allocate(lattice_Qtwin(3,3,lattice_maxNtwin,lattice_Nstructure),source= 0.0_pReal)
allocate(lattice_Stwin(3,3,lattice_maxNtwin,lattice_Nstructure)); lattice_Stwin = 0.0_pReal allocate(lattice_Stwin(3,3,lattice_maxNtwin,lattice_Nstructure),source= 0.0_pReal)
allocate(lattice_Stwin_v(6,lattice_maxNtwin,lattice_Nstructure)); lattice_Stwin_v = 0.0_pReal allocate(lattice_Stwin_v(6,lattice_maxNtwin,lattice_Nstructure),source= 0.0_pReal)
allocate(lattice_td(3,lattice_maxNtwin,lattice_Nstructure)); lattice_td = 0.0_pReal allocate(lattice_td(3,lattice_maxNtwin,lattice_Nstructure),source= 0.0_pReal)
allocate(lattice_tt(3,lattice_maxNtwin,lattice_Nstructure)); lattice_tt = 0.0_pReal allocate(lattice_tt(3,lattice_maxNtwin,lattice_Nstructure),source= 0.0_pReal)
allocate(lattice_tn(3,lattice_maxNtwin,lattice_Nstructure)); lattice_tn = 0.0_pReal allocate(lattice_tn(3,lattice_maxNtwin,lattice_Nstructure),source= 0.0_pReal)
allocate(lattice_shearTwin(lattice_maxNtwin,lattice_Nstructure)); lattice_shearTwin = 0.0_pReal allocate(lattice_shearTwin(lattice_maxNtwin,lattice_Nstructure),source= 0.0_pReal)
allocate(lattice_NslipSystem(lattice_maxNslipFamily,lattice_Nstructure)); lattice_NslipSystem = 0_pInt allocate(lattice_NslipSystem(lattice_maxNslipFamily,lattice_Nstructure), source=0_pInt)
allocate(lattice_NtwinSystem(lattice_maxNtwinFamily,lattice_Nstructure)); lattice_NtwinSystem = 0_pInt allocate(lattice_NtwinSystem(lattice_maxNtwinFamily,lattice_Nstructure), source=0_pInt)
allocate(lattice_interactionSlipSlip(lattice_maxNslip,lattice_maxNslip,lattice_Nstructure)) allocate(lattice_interactionSlipSlip(lattice_maxNslip,lattice_maxNslip,lattice_Nstructure), source=0_pInt)! other:me
lattice_interactionSlipSlip = 0_pInt ! other:me allocate(lattice_interactionSlipTwin(lattice_maxNslip,lattice_maxNtwin,lattice_Nstructure), source=0_pInt)! other:me
allocate(lattice_interactionSlipTwin(lattice_maxNslip,lattice_maxNtwin,lattice_Nstructure)) allocate(lattice_interactionTwinSlip(lattice_maxNtwin,lattice_maxNslip,lattice_Nstructure), source=0_pInt)! other:me
lattice_interactionSlipTwin = 0_pInt ! other:me allocate(lattice_interactionTwinTwin(lattice_maxNtwin,lattice_maxNtwin,lattice_Nstructure), source=0_pInt)! other:me
allocate(lattice_interactionTwinSlip(lattice_maxNtwin,lattice_maxNslip,lattice_Nstructure))
lattice_interactionTwinSlip = 0_pInt ! other:me do i = 1_pInt,Nsections
allocate(lattice_interactionTwinTwin(lattice_maxNtwin,lattice_maxNtwin,lattice_Nstructure)) lattice_structure(i) = lattice_initializeStructure(lattice_structureID(i), CoverA(i)) ! get structure
lattice_interactionTwinTwin = 0_pInt ! other:me if (lattice_structure(i) < 1_pInt) call IO_error(205_pInt,el=i)
lattice_Cslip_66(1:6,1:6,i) = lattice_symmetrizeC66(lattice_structure(i),lattice_Cslip_66(1:6,1:6,i))
lattice_Cslip_66(1:6,1:6,i) = math_Mandel3333to66(math_Voigt66to3333(lattice_Cslip_66(1:6,1:6,i))) ! Literature data is Voigt, DAMASK uses Mandel
enddo
deallocate(CoverA)
end subroutine lattice_init end subroutine lattice_init