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DAMASK_EICMD
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polishing

This commit is contained in:
Martin Diehl 2018-06-11 00:16:48 +02:00
parent e0a6b79b14
commit fdd3bd1262
1 changed files with 161 additions and 161 deletions
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312
src/material.f90
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@ -377,20 +377,20 @@ subroutine material_init()
write(6,'(a15,a)') ' Current time: ',IO_timeStamp() write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
call material_parsePhase() call material_parsePhase()
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Phase parsed'; flush(6) if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Phase parsed'; flush(6)
call material_parseMicrostructure() call material_parseMicrostructure()
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Microstructure parsed'; flush(6) if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Microstructure parsed'; flush(6)
call material_parseCrystallite() call material_parseCrystallite()
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Crystallite parsed'; flush(6) if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Crystallite parsed'; flush(6)
call material_parseHomogenization() call material_parseHomogenization()
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Homogenization parsed'; flush(6) if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Homogenization parsed'; flush(6)
call material_parseTexture() call material_parseTexture()
if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Texture parsed'; flush(6) if (iand(myDebug,debug_levelBasic) /= 0_pInt) write(6,'(a)') ' Texture parsed'; flush(6)
allocate(plasticState (material_Nphase)) allocate(plasticState (material_Nphase))
allocate(sourceState (material_Nphase)) allocate(sourceState (material_Nphase))
@ -505,16 +505,13 @@ end subroutine material_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief parses the homogenization part in the material configuration file !> @brief parses the homogenization part from the material configuration
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine material_parseHomogenization subroutine material_parseHomogenization
use config_material, only : & use config_material, only : &
homogenizationConfig homogenizationConfig
use IO, only: & use IO, only: &
IO_error, & IO_error
IO_stringValue, &
IO_intValue, &
IO_floatValue
use mesh, only: & use mesh, only: &
mesh_element mesh_element
@ -546,97 +543,107 @@ subroutine material_parseHomogenization
forall (h = 1_pInt:material_Nhomogenization) homogenization_active(h) = any(mesh_element(3,:) == h) forall (h = 1_pInt:material_Nhomogenization) homogenization_active(h) = any(mesh_element(3,:) == h)
do h=1_pInt, material_Nhomogenization do h=1_pInt, material_Nhomogenization
homogenization_Noutput(h) = homogenizationConfig(h)%countKeys('(output)') homogenization_Noutput(h) = homogenizationConfig(h)%countKeys('(output)')
tag = homogenizationConfig(h)%getString('mech') tag = homogenizationConfig(h)%getString('mech')
select case (trim(tag))
case(HOMOGENIZATION_NONE_label)
homogenization_type(h) = HOMOGENIZATION_NONE_ID
homogenization_Ngrains(h) = 1_pInt
case(HOMOGENIZATION_ISOSTRAIN_label)
homogenization_type(h) = HOMOGENIZATION_ISOSTRAIN_ID
homogenization_Ngrains(h) = homogenizationConfig(h)%getInt('nconstituents')
case(HOMOGENIZATION_RGC_label)
homogenization_type(h) = HOMOGENIZATION_RGC_ID
homogenization_Ngrains(h) = homogenizationConfig(h)%getInt('nconstituents')
case default
call IO_error(500_pInt,ext_msg=trim(tag))
end select
homogenization_typeInstance(h) = count(homogenization_type==homogenization_type(h))
select case (trim(tag))
case(HOMOGENIZATION_NONE_label)
homogenization_type(h) = HOMOGENIZATION_NONE_ID
homogenization_Ngrains(h) = 1_pInt
case(HOMOGENIZATION_ISOSTRAIN_label)
homogenization_type(h) = HOMOGENIZATION_ISOSTRAIN_ID
homogenization_Ngrains(h) = homogenizationConfig(h)%getInt('nconstituents')
case(HOMOGENIZATION_RGC_label)
homogenization_type(h) = HOMOGENIZATION_RGC_ID
homogenization_Ngrains(h) = homogenizationConfig(h)%getInt('nconstituents')
case default
call IO_error(500_pInt,ext_msg=trim(tag))
end select
homogenization_typeInstance(h) = &
count(homogenization_type==homogenization_type(h)) ! count instances
if (homogenizationConfig(h)%keyExists('thermal')) then if (homogenizationConfig(h)%keyExists('thermal')) then
tag = homogenizationConfig(h)%getString('thermal') thermal_initialT(h) = homogenizationConfig(h)%getFloat('t0')
! case ('t0') tag = homogenizationConfig(h)%getString('thermal')
! thermal_initialT(section) = IO_floatValue(line,chunkPos,2_pInt) select case (trim(tag))
select case (trim(tag)) case(THERMAL_isothermal_label)
case(THERMAL_isothermal_label) thermal_type(h) = THERMAL_isothermal_ID
thermal_type(h) = THERMAL_isothermal_ID case(THERMAL_adiabatic_label)
case(THERMAL_adiabatic_label) thermal_type(h) = THERMAL_adiabatic_ID
thermal_type(h) = THERMAL_adiabatic_ID case(THERMAL_conduction_label)
case(THERMAL_conduction_label) thermal_type(h) = THERMAL_conduction_ID
thermal_type(h) = THERMAL_conduction_ID case default
case default call IO_error(500_pInt,ext_msg=trim(tag))
call IO_error(500_pInt,ext_msg=trim(tag)) end select
end select
endif endif
if (homogenizationConfig(h)%keyExists('damage')) then if (homogenizationConfig(h)%keyExists('damage')) then
tag = homogenizationConfig(h)%getString('damage') damage_initialPhi(h) = homogenizationConfig(h)%getFloat('initialdamage')
! case ('initialdamage')
! damage_initialPhi(section) = IO_floatValue(line,chunkPos,2_pInt) tag = homogenizationConfig(h)%getString('thermal')
select case (trim(tag)) select case (trim(tag))
case(DAMAGE_NONE_label) case(DAMAGE_NONE_label)
damage_type(h) = DAMAGE_none_ID damage_type(h) = DAMAGE_none_ID
case(DAMAGE_LOCAL_label) case(DAMAGE_LOCAL_label)
damage_type(h) = DAMAGE_local_ID damage_type(h) = DAMAGE_local_ID
case(DAMAGE_NONLOCAL_label) case(DAMAGE_NONLOCAL_label)
damage_type(h) = DAMAGE_nonlocal_ID damage_type(h) = DAMAGE_nonlocal_ID
case default case default
call IO_error(500_pInt,ext_msg=trim(tag)) call IO_error(500_pInt,ext_msg=trim(tag))
end select end select
endif
if (homogenizationConfig(h)%keyExists('vacancyflux')) then
tag = homogenizationConfig(h)%getString('vacancyflux')
! case ('cv0')
! vacancyflux_initialCv(section) = IO_floatValue(line,chunkPos,2_pInt)
select case (trim(tag))
case(VACANCYFLUX_isoconc_label)
vacancyflux_type(h) = VACANCYFLUX_isoconc_ID
case(VACANCYFLUX_isochempot_label)
vacancyflux_type(h) = VACANCYFLUX_isochempot_ID
case(VACANCYFLUX_cahnhilliard_label)
vacancyflux_type(h) = VACANCYFLUX_cahnhilliard_ID
case default
call IO_error(500_pInt,ext_msg=trim(tag))
end select
endif
if (homogenizationConfig(h)%keyExists('porosity')) then
tag = homogenizationConfig(h)%getString('porosity')
select case (trim(tag))
case(POROSITY_NONE_label)
porosity_type(h) = POROSITY_none_ID
case(POROSITY_phasefield_label)
porosity_type(h) = POROSITY_phasefield_ID
case default
call IO_error(500_pInt,ext_msg=trim(tag))
end select
endif
if (homogenizationConfig(h)%keyExists('hydrogenflux')) then
tag = homogenizationConfig(h)%getString('hydrogenflux')
! case ('ch0')
! hydrogenflux_initialCh(section) = IO_floatValue(line,chunkPos,2_pInt)
select case (trim(tag))
case(HYDROGENFLUX_isoconc_label)
hydrogenflux_type(h) = HYDROGENFLUX_isoconc_ID
case(HYDROGENFLUX_cahnhilliard_label)
hydrogenflux_type(h) = HYDROGENFLUX_cahnhilliard_ID
case default
call IO_error(500_pInt,ext_msg=trim(tag))
end select
endif endif
if (homogenizationConfig(h)%keyExists('vacancyflux')) then
vacancyflux_initialCv(h) = homogenizationConfig(h)%getFloat('cv0')
tag = homogenizationConfig(h)%getString('vacancyflux')
select case (trim(tag))
case(VACANCYFLUX_isoconc_label)
vacancyflux_type(h) = VACANCYFLUX_isoconc_ID
case(VACANCYFLUX_isochempot_label)
vacancyflux_type(h) = VACANCYFLUX_isochempot_ID
case(VACANCYFLUX_cahnhilliard_label)
vacancyflux_type(h) = VACANCYFLUX_cahnhilliard_ID
case default
call IO_error(500_pInt,ext_msg=trim(tag))
end select
endif
if (homogenizationConfig(h)%keyExists('porosity')) then
!ToDo?
tag = homogenizationConfig(h)%getString('porosity')
select case (trim(tag))
case(POROSITY_NONE_label)
porosity_type(h) = POROSITY_none_ID
case(POROSITY_phasefield_label)
porosity_type(h) = POROSITY_phasefield_ID
case default
call IO_error(500_pInt,ext_msg=trim(tag))
end select
endif
if (homogenizationConfig(h)%keyExists('hydrogenflux')) then
hydrogenflux_initialCh(h) = homogenizationConfig(h)%getFloat('ch0')
tag = homogenizationConfig(h)%getString('hydrogenflux')
select case (trim(tag))
case(HYDROGENFLUX_isoconc_label)
hydrogenflux_type(h) = HYDROGENFLUX_isoconc_ID
case(HYDROGENFLUX_cahnhilliard_label)
hydrogenflux_type(h) = HYDROGENFLUX_cahnhilliard_ID
case default
call IO_error(500_pInt,ext_msg=trim(tag))
end select
endif
enddo enddo
do h=1_pInt, material_Nhomogenization do h=1_pInt, material_Nhomogenization
@ -659,22 +666,22 @@ end subroutine material_parseHomogenization
subroutine material_parseMicrostructure subroutine material_parseMicrostructure
use prec, only: & use prec, only: &
dNeq dNeq
use IO use IO, only: &
IO_floatValue, &
IO_intValue, &
IO_stringValue, &
IO_error
use mesh, only: & use mesh, only: &
mesh_element, & mesh_element, &
mesh_NcpElems mesh_NcpElems
implicit none implicit none
character(len=256), dimension(:), allocatable :: & character(len=65536), dimension(:), allocatable :: &
str str
integer(pInt), allocatable, dimension(:,:) :: chunkPoss integer(pInt), allocatable, dimension(:,:) :: chunkPoss
integer(pInt) :: e, m, constituent, i integer(pInt) :: e, m, c, i
character(len=65536) :: & character(len=65536) :: &
tag,line tag
line = '' ! to have it initialized
m = 0_pInt
allocate(microstructure_crystallite(material_Nmicrostructure), source=0_pInt) allocate(microstructure_crystallite(material_Nmicrostructure), source=0_pInt)
allocate(microstructure_Nconstituents(material_Nmicrostructure), source=0_pInt) allocate(microstructure_Nconstituents(material_Nmicrostructure), source=0_pInt)
@ -698,26 +705,24 @@ subroutine material_parseMicrostructure
allocate(microstructure_fraction(microstructure_maxNconstituents,material_Nmicrostructure),source=0.0_pReal) allocate(microstructure_fraction(microstructure_maxNconstituents,material_Nmicrostructure),source=0.0_pReal)
do m=1_pInt, material_Nmicrostructure do m=1_pInt, material_Nmicrostructure
call microstructureConfig(m)%getRaws('(constituent)',str,chunkPoss) call microstructureConfig(m)%getRaws('(constituent)',str,chunkPoss)
do constituent = 1_pInt, size(str) do c = 1_pInt, size(str)
do i = 2_pInt,6_pInt,2_pInt do i = 2_pInt,6_pInt,2_pInt
tag = IO_stringValue(str(constituent),chunkPoss(:,constituent),i) tag = IO_stringValue(str(c),chunkPoss(:,c),i)
select case (tag) select case (tag)
case('phase') case('phase')
microstructure_phase(constituent,m) = IO_intValue(str(constituent),chunkPoss(:,constituent),i+1_pInt) microstructure_phase(c,m) = IO_intValue(str(c),chunkPoss(:,c),i+1_pInt)
case('texture')
microstructure_texture(c,m) = IO_intValue(str(c),chunkPoss(:,c),i+1_pInt)
case('fraction')
microstructure_fraction(c,m) = IO_floatValue(str(c),chunkPoss(:,c),i+1_pInt)
end select
case('texture') enddo
microstructure_texture(constituent,m) = IO_intValue(str(constituent),chunkPoss(:,constituent),i+1_pInt) enddo
enddo
case('fraction')
microstructure_fraction(constituent,m) = IO_floatValue(str(constituent),chunkPoss(:,constituent),i+1_pInt)
end select
enddo
enddo
enddo
!sanity check
do m = 1_pInt, material_Nmicrostructure do m = 1_pInt, material_Nmicrostructure
if (dNeq(sum(microstructure_fraction(:,m)),1.0_pReal)) & if (dNeq(sum(microstructure_fraction(:,m)),1.0_pReal)) &
call IO_error(153_pInt,ext_msg=microstructure_name(m)) call IO_error(153_pInt,ext_msg=microstructure_name(m))
@ -929,49 +934,49 @@ subroutine material_parseTexture
tag = IO_stringValue(line,chunkPos,j+1_pInt) tag = IO_stringValue(line,chunkPos,j+1_pInt)
select case (tag) select case (tag)
case('x', '+x') case('x', '+x')
texture_transformation(j,1:3,section) = [ 1.0_pReal, 0.0_pReal, 0.0_pReal] ! original axis is now +x-axis texture_transformation(j,1:3,t) = [ 1.0_pReal, 0.0_pReal, 0.0_pReal] ! original axis is now +x-axis
case('-x') case('-x')
texture_transformation(j,1:3,section) = [-1.0_pReal, 0.0_pReal, 0.0_pReal] ! original axis is now -x-axis texture_transformation(j,1:3,t) = [-1.0_pReal, 0.0_pReal, 0.0_pReal] ! original axis is now -x-axis
case('y', '+y') case('y', '+y')
texture_transformation(j,1:3,section) = [ 0.0_pReal, 1.0_pReal, 0.0_pReal] ! original axis is now +y-axis texture_transformation(j,1:3,t) = [ 0.0_pReal, 1.0_pReal, 0.0_pReal] ! original axis is now +y-axis
case('-y') case('-y')
texture_transformation(j,1:3,section) = [ 0.0_pReal,-1.0_pReal, 0.0_pReal] ! original axis is now -y-axis texture_transformation(j,1:3,t) = [ 0.0_pReal,-1.0_pReal, 0.0_pReal] ! original axis is now -y-axis
case('z', '+z') case('z', '+z')
texture_transformation(j,1:3,section) = [ 0.0_pReal, 0.0_pReal, 1.0_pReal] ! original axis is now +z-axis texture_transformation(j,1:3,t) = [ 0.0_pReal, 0.0_pReal, 1.0_pReal] ! original axis is now +z-axis
case('-z') case('-z')
texture_transformation(j,1:3,section) = [ 0.0_pReal, 0.0_pReal,-1.0_pReal] ! original axis is now -z-axis texture_transformation(j,1:3,t) = [ 0.0_pReal, 0.0_pReal,-1.0_pReal] ! original axis is now -z-axis
case default case default
call IO_error(157_pInt,section) call IO_error(157_pInt,t)
end select end select
enddo enddo
if(dNeq(math_det33(texture_transformation(1:3,1:3,section)),1.0_pReal)) & if(dNeq(math_det33(texture_transformation(1:3,1:3,t)),1.0_pReal)) &
call IO_error(157_pInt,section) call IO_error(157_pInt,t)
case ('hybridia') textureType case ('hybridia') textureType
texture_ODFfile(section) = IO_stringValue(line,chunkPos,2_pInt) texture_ODFfile(t) = IO_stringValue(line,chunkPos,2_pInt)
case ('symmetry') textureType case ('symmetry') textureType
tag = IO_stringValue(line,chunkPos,2_pInt) tag = IO_stringValue(line,chunkPos,2_pInt)
select case (tag) select case (tag)
case('orthotropic') case('orthotropic')
texture_symmetry(section) = 4_pInt texture_symmetry(t) = 4_pInt
case('monoclinic') case('monoclinic')
texture_symmetry(section) = 2_pInt texture_symmetry(t) = 2_pInt
case default case default
texture_symmetry(section) = 1_pInt texture_symmetry(t) = 1_pInt
end select end select
case ('(random)') textureType case ('(random)') textureType
gauss = gauss + 1_pInt gauss = gauss + 1_pInt
texture_Gauss(1:3,gauss,section) = math_sampleRandomOri() texture_Gauss(1:3,gauss,t) = math_sampleRandomOri()
do j = 2_pInt,4_pInt,2_pInt do j = 2_pInt,4_pInt,2_pInt
tag = IO_stringValue(line,chunkPos,j) tag = IO_stringValue(line,chunkPos,j)
select case (tag) select case (tag)
case('scatter') case('scatter')
texture_Gauss(4,gauss,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad texture_Gauss(4,gauss,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
case('fraction') case('fraction')
texture_Gauss(5,gauss,section) = IO_floatValue(line,chunkPos,j+1_pInt) texture_Gauss(5,gauss,t) = IO_floatValue(line,chunkPos,j+1_pInt)
end select end select
enddo enddo
@ -981,15 +986,15 @@ subroutine material_parseTexture
tag = IO_stringValue(line,chunkPos,j) tag = IO_stringValue(line,chunkPos,j)
select case (tag) select case (tag)
case('phi1') case('phi1')
texture_Gauss(1,gauss,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad texture_Gauss(1,gauss,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
case('phi') case('phi')
texture_Gauss(2,gauss,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad texture_Gauss(2,gauss,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
case('phi2') case('phi2')
texture_Gauss(3,gauss,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad texture_Gauss(3,gauss,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
case('scatter') case('scatter')
texture_Gauss(4,gauss,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad texture_Gauss(4,gauss,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
case('fraction') case('fraction')
texture_Gauss(5,gauss,section) = IO_floatValue(line,chunkPos,j+1_pInt) texture_Gauss(5,gauss,t) = IO_floatValue(line,chunkPos,j+1_pInt)
end select end select
enddo enddo
@ -999,17 +1004,17 @@ subroutine material_parseTexture
tag = IO_stringValue(line,chunkPos,j) tag = IO_stringValue(line,chunkPos,j)
select case (tag) select case (tag)
case('alpha1') case('alpha1')
texture_Fiber(1,fiber,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad texture_Fiber(1,fiber,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
case('alpha2') case('alpha2')
texture_Fiber(2,fiber,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad texture_Fiber(2,fiber,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
case('beta1') case('beta1')
texture_Fiber(3,fiber,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad texture_Fiber(3,fiber,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
case('beta2') case('beta2')
texture_Fiber(4,fiber,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad texture_Fiber(4,fiber,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
case('scatter') case('scatter')
texture_Fiber(5,fiber,section) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad texture_Fiber(5,fiber,t) = IO_floatValue(line,chunkPos,j+1_pInt)*inRad
case('fraction') case('fraction')
texture_Fiber(6,fiber,section) = IO_floatValue(line,chunkPos,j+1_pInt) texture_Fiber(6,fiber,t) = IO_floatValue(line,chunkPos,j+1_pInt)
end select end select
enddo enddo
end select textureType end select textureType
@ -1132,10 +1137,8 @@ subroutine material_populateGrains
allocate(orientationOfGrain(3,maxval(Ngrains)),source=0.0_pReal) ! reserve memory for maximum case allocate(orientationOfGrain(3,maxval(Ngrains)),source=0.0_pReal) ! reserve memory for maximum case
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(/,a/)') ' MATERIAL grain population' write(6,'(/,a/)') ' MATERIAL grain population'
write(6,'(a32,1x,a32,1x,a6)') 'homogenization_name','microstructure_name','grain#' write(6,'(a32,1x,a32,1x,a6)') 'homogenization_name','microstructure_name','grain#'
!$OMP END CRITICAL (write2out)
endif endif
homogenizationLoop: do homog = 1_pInt,material_Nhomogenization homogenizationLoop: do homog = 1_pInt,material_Nhomogenization
dGrains = homogenization_Ngrains(homog) ! grain number per material point dGrains = homogenization_Ngrains(homog) ! grain number per material point
@ -1143,11 +1146,8 @@ subroutine material_populateGrains
activePair: if (Ngrains(homog,micro) > 0_pInt) then activePair: if (Ngrains(homog,micro) > 0_pInt) then
myNgrains = Ngrains(homog,micro) ! assign short name for total number of grains to populate myNgrains = Ngrains(homog,micro) ! assign short name for total number of grains to populate
myNconstituents = microstructure_Nconstituents(micro) ! assign short name for number of constituents myNconstituents = microstructure_Nconstituents(micro) ! assign short name for number of constituents
if (iand(myDebug,debug_levelBasic) /= 0_pInt) then if (iand(myDebug,debug_levelBasic) /= 0_pInt) &
!$OMP CRITICAL (write2out) write(6,'(/,a32,1x,a32,1x,i6)') homogenization_name(homog),microstructure_name(micro),myNgrains
write(6,'(/,a32,1x,a32,1x,i6)') homogenization_name(homog),microstructure_name(micro),myNgrains
!$OMP END CRITICAL (write2out)
endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------