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DAMASK_EICMD
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Martin Diehl 2013-11-27 08:05:23 +00:00
parent 2f7efa2055
commit 080edffd87
1 changed files with 98 additions and 56 deletions
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154
code/material.f90
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@ -34,21 +34,46 @@ module material
implicit none implicit none
private private
character(len=64), parameter, public :: & character(len=*), parameter, public :: &
ELASTICITY_HOOKE_label = 'hooke', &
PLASTICITY_NONE_label = 'none', &
PLASTICITY_J2_label = 'j2', &
PLASTICITY_PHENOPOWERLAW_label = 'phenopowerlaw', &
PLASTICITY_DISLOTWIN_label = 'dislotwin', &
PLASTICITY_TITANMOD_label = 'titanmod', &
PLASTICITY_NONLOCAL_label = 'nonlocal', &
HOMOGENIZATION_ISOSTRAIN_label = 'isostrain', &
HOMOGENIZATION_RGC_label = 'rgc'
enum, bind(c)
enumerator :: ELASTICITY_hooke_ID
enumerator :: PLASTICITY_none_ID, &
PLASTICITY_J2_ID, &
PLASTICITY_phenopowerlaw_ID, &
PLASTICITY_dislotwin_ID, &
PLASTICITY_titanmod_ID, &
PLASTICITY_nonlocal_ID
enumerator :: HOMOGENIZATION_isostrain_ID, &
HOMOGENIZATION_RGC_ID
end enum
character(len=*), parameter, public :: &
MATERIAL_configFile = 'material.config', & !< generic name for material configuration file MATERIAL_configFile = 'material.config', & !< generic name for material configuration file
MATERIAL_localFileExt = 'materialConfig' !< extension of solver job name depending material configuration file MATERIAL_localFileExt = 'materialConfig' !< extension of solver job name depending material configuration file
character(len=32), parameter, public :: & character(len=*), parameter, public :: &
MATERIAL_partHomogenization = 'homogenization', & !< keyword for homogenization part MATERIAL_partHomogenization = 'homogenization', & !< keyword for homogenization part
MATERIAL_partCrystallite = 'crystallite', & !< keyword for crystallite part MATERIAL_partCrystallite = 'crystallite', & !< keyword for crystallite part
MATERIAL_partPhase = 'phase' !< keyword for phase part MATERIAL_partPhase = 'phase' !< keyword for phase part
character(len=64), dimension(:), allocatable, public, protected :: & integer(kind(ELASTICITY_hooke_ID)), dimension(:), allocatable, public, protected :: &
phase_elasticity, & !< elasticity of each phase phase_elasticity, & !< elasticity of each phase
phase_plasticity, & !< plasticity of each phase phase_plasticity, & !< plasticity of each phase
homogenization_type !< type of each homogenization
character(len=64), dimension(:), allocatable, public, protected :: &
phase_name, & !< name of each phase phase_name, & !< name of each phase
homogenization_name, & !< name of each homogenization homogenization_name, & !< name of each homogenization
homogenization_type, & !< type of each homogenization
crystallite_name !< name of each crystallite setting crystallite_name !< name of each crystallite setting
integer(pInt), public, protected :: & integer(pInt), public, protected :: &
@ -82,7 +107,7 @@ module material
phase_localPlasticity !< flags phases with local constitutive law phase_localPlasticity !< flags phases with local constitutive law
character(len=32), parameter, private :: & character(len=*), parameter, private :: &
MATERIAL_partMicrostructure = 'microstructure', & !< keyword for microstructure part MATERIAL_partMicrostructure = 'microstructure', & !< keyword for microstructure part
MATERIAL_partTexture = 'texture' !< keyword for texture part MATERIAL_partTexture = 'texture' !< keyword for texture part
@ -123,8 +148,17 @@ module material
public :: & public :: &
material_init material_init, &
ELASTICITY_hooke_ID ,&
PLASTICITY_none_ID, &
PLASTICITY_J2_ID, &
PLASTICITY_phenopowerlaw_ID, &
PLASTICITY_dislotwin_ID, &
PLASTICITY_titanmod_ID, &
PLASTICITY_nonlocal_ID, &
HOMOGENIZATION_isostrain_ID, &
HOMOGENIZATION_RGC_ID
private :: & private :: &
material_parseHomogenization, & material_parseHomogenization, &
material_parseMicrostructure, & material_parseMicrostructure, &
@ -164,43 +198,32 @@ subroutine material_init
write(6,'(a16,a)') ' Current time : ',IO_timeStamp() write(6,'(a16,a)') ' Current time : ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
if (.not. IO_open_jobFile_stat(fileunit,material_localFileExt)) then ! no local material configuration present... if (.not. IO_open_jobFile_stat(fileunit,material_localFileExt)) & ! no local material configuration present...
call IO_open_file(fileunit,material_configFile) ! ...open material.config file call IO_open_file(fileunit,material_configFile) ! ...open material.config file
endif
call material_parseHomogenization(fileunit,material_partHomogenization) call material_parseHomogenization(fileunit,material_partHomogenization)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Homogenization parsed'
write(6,'(a)') ' Homogenization parsed'
endif
call material_parseMicrostructure(fileunit,material_partMicrostructure) call material_parseMicrostructure(fileunit,material_partMicrostructure)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Microstructure parsed'
write(6,'(a)') ' Microstructure parsed'
endif
call material_parseCrystallite(fileunit,material_partCrystallite) call material_parseCrystallite(fileunit,material_partCrystallite)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Crystallite parsed'
write(6,'(a)') ' Crystallite parsed'
endif
call material_parseTexture(fileunit,material_partTexture) call material_parseTexture(fileunit,material_partTexture)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Texture parsed'
write(6,'(a)') ' Texture parsed'
endif
call material_parsePhase(fileunit,material_partPhase) call material_parsePhase(fileunit,material_partPhase)
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Phase parsed'
write(6,'(a)') ' Phase parsed'
endif
close(fileunit) close(fileunit)
do m = 1_pInt,material_Nmicrostructure do m = 1_pInt,material_Nmicrostructure
if (microstructure_crystallite(m) < 1_pInt .or. & if(microstructure_crystallite(m) < 1_pInt .or. &
microstructure_crystallite(m) > material_Ncrystallite) & microstructure_crystallite(m) > material_Ncrystallite) &
call IO_error(150_pInt,m,ext_msg='crystallite') call IO_error(150_pInt,m,ext_msg='crystallite')
if (minval(microstructure_phase(1:microstructure_Nconstituents(m),m)) < 1_pInt .or. & if(minval(microstructure_phase(1:microstructure_Nconstituents(m),m)) < 1_pInt .or. &
maxval(microstructure_phase(1:microstructure_Nconstituents(m),m)) > material_Nphase) & maxval(microstructure_phase(1:microstructure_Nconstituents(m),m)) > material_Nphase) &
call IO_error(150_pInt,m,ext_msg='phase') call IO_error(150_pInt,m,ext_msg='phase')
if (minval(microstructure_texture(1:microstructure_Nconstituents(m),m)) < 1_pInt .or. & if(minval(microstructure_texture(1:microstructure_Nconstituents(m),m)) < 1_pInt .or. &
maxval(microstructure_texture(1:microstructure_Nconstituents(m),m)) > material_Ntexture) & maxval(microstructure_texture(1:microstructure_Nconstituents(m),m)) > material_Ntexture) &
call IO_error(150_pInt,m,ext_msg='texture') call IO_error(150_pInt,m,ext_msg='texture')
if (microstructure_Nconstituents(m) < 1_pInt) & if(microstructure_Nconstituents(m) < 1_pInt) &
call IO_error(151_pInt,m) call IO_error(151_pInt,m)
! if (abs(sum(microstructure_fraction(:,m)) - 1.0_pReal) >= 1.0e-6_pReal) then ! have ppm precision in fractions ! if (abs(sum(microstructure_fraction(:,m)) - 1.0_pReal) >= 1.0e-6_pReal) then ! have ppm precision in fractions
! if (iand(myDebug,debug_levelExtensive) /= 0_pInt) then ! if (iand(myDebug,debug_levelExtensive) /= 0_pInt) then
! write(6,'(a,1x,f12.9)') ' sum of microstructure fraction = ',sum(microstructure_fraction(:,m)) ! write(6,'(a,1x,f12.9)') ' sum of microstructure fraction = ',sum(microstructure_fraction(:,m))
@ -262,7 +285,7 @@ subroutine material_parseHomogenization(myFile,myPart)
integer(pInt), parameter :: maxNchunks = 2_pInt integer(pInt), parameter :: maxNchunks = 2_pInt
integer(pInt), dimension(1+2*maxNchunks) :: positions integer(pInt), dimension(1+2*maxNchunks) :: positions
integer(pInt) Nsections, section, s integer(pInt) :: Nsections, section, s
character(len=65536) :: tag character(len=65536) :: tag
character(len=65536) :: line character(len=65536) :: line
logical :: echo logical :: echo
@ -274,7 +297,7 @@ subroutine material_parseHomogenization(myFile,myPart)
if (Nsections < 1_pInt) call IO_error(160_pInt,ext_msg=myPart) if (Nsections < 1_pInt) call IO_error(160_pInt,ext_msg=myPart)
allocate(homogenization_name(Nsections)); homogenization_name = '' allocate(homogenization_name(Nsections)); homogenization_name = ''
allocate(homogenization_type(Nsections)); homogenization_type = '' allocate(homogenization_type(Nsections)); homogenization_type = -1
allocate(homogenization_typeInstance(Nsections)); homogenization_typeInstance = 0_pInt allocate(homogenization_typeInstance(Nsections)); homogenization_typeInstance = 0_pInt
allocate(homogenization_Ngrains(Nsections)); homogenization_Ngrains = 0_pInt allocate(homogenization_Ngrains(Nsections)); homogenization_Ngrains = 0_pInt
allocate(homogenization_Noutput(Nsections)); homogenization_Noutput = 0_pInt allocate(homogenization_Noutput(Nsections)); homogenization_Noutput = 0_pInt
@ -306,11 +329,16 @@ subroutine material_parseHomogenization(myFile,myPart)
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 ('type') case ('type')
homogenization_type(section) = IO_lc(IO_stringValue(line,positions,2_pInt)) ! adding: IO_lc function select case (IO_lc(IO_stringValue(line,positions,2_pInt)))
do s = 1_pInt,section case(HOMOGENIZATION_ISOSTRAIN_label)
if (homogenization_type(s) == homogenization_type(section)) & homogenization_type(section) = HOMOGENIZATION_ISOSTRAIN_ID
homogenization_typeInstance(section) = homogenization_typeInstance(section) + 1_pInt ! count instances case(HOMOGENIZATION_RGC_label)
enddo homogenization_type(section) = HOMOGENIZATION_RGC_ID
case default
call IO_error(500_pInt,ext_msg=trim(IO_stringValue(line,positions,2_pInt)))
end select
homogenization_typeInstance(section) = &
count(homogenization_type==homogenization_type(section)) ! count instances
case ('ngrains') case ('ngrains')
homogenization_Ngrains(section) = IO_intValue(line,positions,2_pInt) homogenization_Ngrains(section) = IO_intValue(line,positions,2_pInt)
end select end select
@ -495,7 +523,7 @@ subroutine material_parsePhase(myFile,myPart)
integer(pInt), parameter :: maxNchunks = 2_pInt integer(pInt), parameter :: maxNchunks = 2_pInt
integer(pInt), dimension(1+2*maxNchunks) :: positions integer(pInt), dimension(1+2*maxNchunks) :: positions
integer(pInt) Nsections, section, s integer(pInt) Nsections, section
character(len=65536) :: tag character(len=65536) :: tag
character(len=65536) :: line character(len=65536) :: line
logical :: echo logical :: echo
@ -507,9 +535,9 @@ subroutine material_parsePhase(myFile,myPart)
if (Nsections < 1_pInt) call IO_error(160_pInt,ext_msg=myPart) if (Nsections < 1_pInt) call IO_error(160_pInt,ext_msg=myPart)
allocate(phase_name(Nsections)); phase_name = '' allocate(phase_name(Nsections)); phase_name = ''
allocate(phase_elasticity(Nsections)); phase_elasticity = '' allocate(phase_elasticity(Nsections)); phase_elasticity = -1
allocate(phase_elasticityInstance(Nsections)); phase_elasticityInstance = 0_pInt allocate(phase_elasticityInstance(Nsections)); phase_elasticityInstance = 0_pInt
allocate(phase_plasticity(Nsections)); phase_plasticity = '' allocate(phase_plasticity(Nsections)); phase_plasticity = -1
allocate(phase_plasticityInstance(Nsections)); phase_plasticityInstance = 0_pInt allocate(phase_plasticityInstance(Nsections)); phase_plasticityInstance = 0_pInt
allocate(phase_Noutput(Nsections)); phase_Noutput = 0_pInt allocate(phase_Noutput(Nsections)); phase_Noutput = 0_pInt
allocate(phase_localPlasticity(Nsections)); phase_localPlasticity = .false. allocate(phase_localPlasticity(Nsections)); phase_localPlasticity = .false.
@ -540,17 +568,31 @@ subroutine material_parsePhase(myFile,myPart)
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 ('elasticity') case ('elasticity')
phase_elasticity(section) = IO_lc(IO_stringValue(line,positions,2_pInt)) select case (IO_lc(IO_stringValue(line,positions,2_pInt)))
do s = 1_pInt,section case (ELASTICITY_HOOKE_label)
if (phase_elasticity(s) == phase_elasticity(section)) & phase_elasticity(section) = ELASTICITY_HOOKE_ID
phase_elasticityInstance(section) = phase_elasticityInstance(section) + 1_pInt ! count instances case default
enddo call IO_error(200_pInt,ext_msg=trim(IO_stringValue(line,positions,2_pInt)))
end select
phase_elasticityInstance(section) = count(phase_elasticity == phase_elasticity(section)) ! count instances
case ('plasticity') case ('plasticity')
phase_plasticity(section) = IO_lc(IO_stringValue(line,positions,2_pInt)) select case (IO_lc(IO_stringValue(line,positions,2_pInt)))
do s = 1_pInt,section case (PLASTICITY_NONE_label)
if (phase_plasticity(s) == phase_plasticity(section)) & phase_plasticity(section) = PLASTICITY_NONE_ID
phase_plasticityInstance(section) = phase_plasticityInstance(section) + 1_pInt ! count instances case (PLASTICITY_J2_label)
enddo phase_plasticity(section) = PLASTICITY_J2_ID
case (PLASTICITY_PHENOPOWERLAW_label)
phase_plasticity(section) = PLASTICITY_PHENOPOWERLAW_ID
case (PLASTICITY_DISLOTWIN_label)
phase_plasticity(section) = PLASTICITY_DISLOTWIN_ID
case (PLASTICITY_TITANMOD_label)
phase_plasticity(section) = PLASTICITY_TITANMOD_ID
case (PLASTICITY_NONLOCAL_label)
phase_plasticity(section) = PLASTICITY_NONLOCAL_ID
case default
call IO_error(201_pInt,ext_msg=trim(IO_stringValue(line,positions,2_pInt)))
end select
phase_plasticityInstance(section) = count(phase_plasticity == phase_plasticity(section)) ! count instances
end select end select
endif endif
enddo enddo