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removed hybridIA

This commit is contained in:
Martin Diehl 2018-10-14 10:11:26 +02:00
parent 8e4c97a121
commit 4ac12d1dc5
3 changed files with 34 additions and 281 deletions
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7
.gitlab-ci.yml
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@ -333,13 +333,6 @@ Phenopowerlaw_singleSlip:
- master
- release
HybridIA:
stage: spectral
script: HybridIA/test.py
except:
- master
- release
TextureComponents:
stage: spectral
script: TextureComponents/test.py

220
src/IO.f90
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@ -33,7 +33,6 @@ module IO
IO_write_jobIntFile, &
IO_read_realFile, &
IO_read_intFile, &
IO_hybridIA, &
IO_isBlank, &
IO_getTag, &
IO_stringPos, &
@ -583,223 +582,6 @@ logical function IO_abaqus_hasNoPart(fileUnit)
620 end function IO_abaqus_hasNoPart
#endif
!--------------------------------------------------------------------------------------------------
!> @brief hybrid IA sampling of ODFfile
!--------------------------------------------------------------------------------------------------
function IO_hybridIA(Nast,ODFfileName)
use prec, only: &
tol_math_check
implicit none
integer(pInt), intent(in) :: Nast !< number of samples?
real(pReal), dimension(3,Nast) :: IO_hybridIA
character(len=*), intent(in) :: ODFfileName !< name of ODF file including total path
!--------------------------------------------------------------------------------------------------
! math module is not available
real(pReal), parameter :: PI = 3.141592653589793_pReal
real(pReal), parameter :: INRAD = PI/180.0_pReal
integer(pInt) :: i,j,bin,NnonZero,Nset,Nreps,reps,phi1,Phi,phi2
integer(pInt), allocatable, dimension(:) :: chunkPos
integer(pInt), dimension(3) :: steps !< number of steps in phi1, Phi, and phi2 direction
integer(pInt), dimension(4) :: columns !< columns in linearODF file where eulerangles and density are located
integer(pInt), dimension(:), allocatable :: binSet
real(pReal) :: center,sum_dV_V,prob,dg_0,C,lowerC,upperC,rnd
real(pReal), dimension(2,3) :: limits !< starting and end values for eulerangles
real(pReal), dimension(3) :: deltas, & !< angular step size in phi1, Phi, and phi2 direction
eulers !< euler angles when reading from file
real(pReal), dimension(:,:,:), allocatable :: dV_V
character(len=65536) :: line, keyword
integer(pInt) :: headerLength
integer(pInt), parameter :: FILEUNIT = 999_pInt
IO_hybridIA = 0.0_pReal ! initialize return value for case of error
write(6,'(/,a,/)',advance='no') ' Using linear ODF file: '//trim(ODFfileName)
write(6,'(/,a)') ' Eisenlohr et al., Computational Materials Science, 42(4):670–678, 2008'
write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2007.09.015'
!--------------------------------------------------------------------------------------------------
! parse header of ODF file
call IO_open_file(FILEUNIT,ODFfileName)
headerLength = 0_pInt
line=IO_read(FILEUNIT)
chunkPos = IO_stringPos(line)
keyword = IO_lc(IO_StringValue(line,chunkPos,2_pInt,.true.))
if (keyword(1:4) == 'head') then
headerLength = IO_intValue(line,chunkPos,1_pInt) + 1_pInt
else
call IO_error(error_ID=156_pInt, ext_msg='no header found')
endif
!--------------------------------------------------------------------------------------------------
! figure out columns containing data
do i = 1_pInt, headerLength-1_pInt
line=IO_read(FILEUNIT)
enddo
columns = 0_pInt
chunkPos = IO_stringPos(line)
do i = 1_pInt, chunkPos(1)
select case ( IO_lc(IO_StringValue(line,chunkPos,i,.true.)) )
case ('phi1')
columns(1) = i
case ('phi')
columns(2) = i
case ('phi2')
columns(3) = i
case ('intensity')
columns(4) = i
end select
enddo
if (any(columns<1)) call IO_error(error_ID = 156_pInt, ext_msg='could not find expected header')
!--------------------------------------------------------------------------------------------------
! determine limits, number of steps and step size
limits(1,1:3) = 721.0_pReal
limits(2,1:3) = -1.0_pReal
steps = 0_pInt
line=IO_read(FILEUNIT)
do while (trim(line) /= IO_EOF)
chunkPos = IO_stringPos(line)
eulers=[IO_floatValue(line,chunkPos,columns(1)),&
IO_floatValue(line,chunkPos,columns(2)),&
IO_floatValue(line,chunkPos,columns(3))]
steps = steps + merge(1,0,eulers>limits(2,1:3))
limits(1,1:3) = min(limits(1,1:3),eulers)
limits(2,1:3) = max(limits(2,1:3),eulers)
line=IO_read(FILEUNIT)
enddo
deltas = (limits(2,1:3)-limits(1,1:3))/real(steps-1_pInt,pReal)
write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Starting angles / ° = ',limits(1,1:3)
write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Ending angles / ° = ',limits(2,1:3)
write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Angular steps / ° = ',deltas
if (all(abs(limits(1,1:3)) < tol_math_check)) then
write(6,'(/,a,/)',advance='no') ' assuming vertex centered data'
center = 0.0_pReal ! no need to shift
if (any(mod(int(limits(2,1:3),pInt),90)==0)) &
call IO_error(error_ID = 156_pInt, ext_msg='linear ODF data repeated at right boundary')
else
write(6,'(/,a,/)',advance='no') ' assuming cell centered data'
center = 0.5_pReal ! shift data by half of a bin
endif
limits = limits*INRAD
deltas = deltas*INRAD
!--------------------------------------------------------------------------------------------------
! read in data
allocate(dV_V(steps(3),steps(2),steps(1)),source=0.0_pReal)
sum_dV_V = 0.0_pReal
dg_0 = deltas(1)*deltas(3)*2.0_pReal*sin(deltas(2)/2.0_pReal)
NnonZero = 0_pInt
call IO_checkAndRewind(FILEUNIT) ! forward
do i = 1_pInt, headerLength
line=IO_read(FILEUNIT)
enddo
do phi1=1_pInt,steps(1); do Phi=1_pInt,steps(2); do phi2=1_pInt,steps(3)
line=IO_read(FILEUNIT)
chunkPos = IO_stringPos(line)
eulers=[IO_floatValue(line,chunkPos,columns(1)),& ! read in again for consistency check only
IO_floatValue(line,chunkPos,columns(2)),&
IO_floatValue(line,chunkPos,columns(3))]*INRAD
if (any(abs((real([phi1,phi,phi2],pReal) -1.0_pReal + center)*deltas-eulers)>tol_math_check)) & ! check if data is in expected order (phi2 fast) and correct for Fortran starting at 1
call IO_error(error_ID = 156_pInt, ext_msg='linear ODF data not in expected order')
prob = IO_floatValue(line,chunkPos,columns(4))
if (prob > 0.0_pReal) then
NnonZero = NnonZero+1_pInt
sum_dV_V = sum_dV_V+prob
else
prob = 0.0_pReal
endif
dV_V(phi2,Phi,phi1) = prob*dg_0*sin((real(Phi-1_pInt,pReal)+center)*deltas(2))
enddo; enddo; enddo
close(FILEUNIT)
dV_V = dV_V/sum_dV_V ! normalize to 1
!--------------------------------------------------------------------------------------------------
! now fix bounds
Nset = max(Nast,NnonZero) ! if less than non-zero voxel count requested, sample at least that much
lowerC = 0.0_pReal
upperC = real(Nset, pReal)
do while (hybridIA_reps(dV_V,steps,upperC) < Nset)
lowerC = upperC
upperC = upperC*2.0_pReal
enddo
!--------------------------------------------------------------------------------------------------
! binary search for best C
do
C = (upperC+lowerC)/2.0_pReal
Nreps = hybridIA_reps(dV_V,steps,C)
if (abs(upperC-lowerC) < upperC*1.0e-14_pReal) then
C = upperC
Nreps = hybridIA_reps(dV_V,steps,C)
exit
elseif (Nreps < Nset) then
lowerC = C
elseif (Nreps > Nset) then
upperC = C
else
exit
endif
enddo
allocate(binSet(Nreps))
bin = 0_pInt ! bin counter
i = 1_pInt ! set counter
do phi1=1_pInt,steps(1); do Phi=1_pInt,steps(2) ;do phi2=1_pInt,steps(3)
reps = nint(C*dV_V(phi2,Phi,phi1), pInt)
binSet(i:i+reps-1) = bin
bin = bin+1_pInt ! advance bin
i = i+reps ! advance set
enddo; enddo; enddo
do i=1_pInt,Nast
if (i < Nast) then
call random_number(rnd)
j = nint(rnd*real(Nreps-i,pReal)+real(i,pReal)+0.5_pReal,pInt)
else
j = i
endif
bin = binSet(j)
IO_hybridIA(1,i) = deltas(1)*(real(mod(bin/(steps(3)*steps(2)),steps(1)),pReal)+center) ! phi1
IO_hybridIA(2,i) = deltas(2)*(real(mod(bin/ steps(3) ,steps(2)),pReal)+center) ! Phi
IO_hybridIA(3,i) = deltas(3)*(real(mod(bin ,steps(3)),pReal)+center) ! phi2
binSet(j) = binSet(i)
enddo
contains
!--------------------------------------------------------------------------------------------------
!> @brief counts hybrid IA repetitions
!--------------------------------------------------------------------------------------------------
integer(pInt) pure function hybridIA_reps(dV_V,steps,C)
implicit none
integer(pInt), intent(in), dimension(3) :: steps !< number of bins in Euler space
real(pReal), intent(in), dimension(steps(3),steps(2),steps(1)) :: dV_V !< needs description
real(pReal), intent(in) :: C !< needs description
integer(pInt) :: phi1,Phi,phi2
hybridIA_reps = 0_pInt
do phi1=1_pInt,steps(1); do Phi =1_pInt,steps(2); do phi2=1_pInt,steps(3)
hybridIA_reps = hybridIA_reps+nint(C*dV_V(phi2,Phi,phi1), pInt)
enddo; enddo; enddo
end function hybridIA_reps
end function IO_hybridIA
!--------------------------------------------------------------------------------------------------
!> @brief identifies strings without content
@ -1758,7 +1540,6 @@ integer(pInt) function IO_verifyIntValue (string,validChars,myName)
validChars, & !< valid characters in string
myName !< name of caller function (for debugging)
integer(pInt) :: readStatus, invalidWhere
!character(len=len(trim(string))) :: trimmed does not work with ifort 14.0.1
IO_verifyIntValue = 0_pInt
@ -1788,7 +1569,6 @@ real(pReal) function IO_verifyFloatValue (string,validChars,myName)
myName !< name of caller function (for debugging)
integer(pInt) :: readStatus, invalidWhere
!character(len=len(trim(string))) :: trimmed does not work with ifort 14.0.1
IO_verifyFloatValue = 0.0_pReal

88
src/material.f90
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@ -227,10 +227,6 @@ module material
microstructure_elemhomo, & !< flag to indicate homogeneous microstructure distribution over element's IPs
phase_localPlasticity !< flags phases with local constitutive law
character(len=65536), dimension(:), allocatable, private :: &
texture_ODFfile !< name of each ODF file
integer(pInt), private :: &
microstructure_maxNconstituents, & !< max number of constituents in any phase
texture_maxNgauss, & !< max number of Gauss components in any texture
@ -367,7 +363,6 @@ subroutine material_init()
use mesh, only: &
mesh_homogenizationAt, &
mesh_NipsPerElem, &
mesh_maxNips, &
mesh_NcpElems, &
FE_geomtype
@ -472,11 +467,11 @@ subroutine material_init()
call material_populateGrains
allocate(phaseAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt)
allocate(phasememberAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt)
allocate(mappingHomogenization (2, mesh_maxNips,mesh_NcpElems),source=0_pInt)
allocate(phaseAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt)
allocate(phasememberAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt)
allocate(mappingHomogenization (2, mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt)
allocate(mappingCrystallite (2,homogenization_maxNgrains, mesh_NcpElems),source=0_pInt)
allocate(mappingHomogenizationConst( mesh_maxNips,mesh_NcpElems),source=1_pInt)
allocate(mappingHomogenizationConst( mesh_nIPsPerElem,mesh_NcpElems),source=1_pInt)
allocate(ConstitutivePosition (size(config_phase)), source=0_pInt)
allocate(HomogenizationPosition(size(config_homogenization)),source=0_pInt)
@ -936,9 +931,7 @@ subroutine material_parseTexture
integer(pInt) :: section, gauss, fiber, j, t, i
character(len=65536), dimension(:), allocatable :: strings ! Values for given key in material config
integer(pInt), dimension(:), allocatable :: chunkPos
character(len=65536) :: tag
allocate(texture_ODFfile(size(config_texture))); texture_ODFfile=''
allocate(texture_symmetry(size(config_texture)), source=1_pInt)
allocate(texture_Ngauss(size(config_texture)), source=0_pInt)
allocate(texture_Nfiber(size(config_texture)), source=0_pInt)
@ -984,9 +977,6 @@ subroutine material_parseTexture
if(dNeq(math_det33(texture_transformation(1:3,1:3,t)),1.0_pReal)) call IO_error(157_pInt,t)
endif
tag=''
texture_ODFfile(t) = config_texture(t)%getString('hybridia',defaultVal=tag)
if (config_texture(t)%keyExists('symmetry')) then
select case (config_texture(t)%getString('symmetry'))
case('orthotropic')
@ -1072,7 +1062,7 @@ end subroutine material_parseTexture
!--------------------------------------------------------------------------------------------------
!> @brief populates the grains
!> @details populates the grains by identifying active microstructure/homogenization pairs,
!! calculates the volume of the grains and deals with texture components and hybridIA
!! calculates the volume of the grains and deals with texture components
!--------------------------------------------------------------------------------------------------
subroutine material_populateGrains
use prec, only: &
@ -1091,7 +1081,6 @@ subroutine material_populateGrains
mesh_elemType, &
mesh_homogenizationAt, &
mesh_microstructureAt, &
mesh_maxNips, &
mesh_NcpElems, &
mesh_ipVolume, &
FE_geomtype
@ -1102,8 +1091,7 @@ subroutine material_populateGrains
homogenization_name, &
microstructure_name
use IO, only: &
IO_error, &
IO_hybridIA
IO_error
use debug, only: &
debug_level, &
debug_material, &
@ -1131,12 +1119,12 @@ subroutine material_populateGrains
myDebug = debug_level(debug_material)
allocate(material_volume(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0.0_pReal)
allocate(material_phase(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt)
allocate(material_homog(mesh_maxNips,mesh_NcpElems), source=0_pInt)
allocate(material_volume(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0.0_pReal)
allocate(material_phase(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt)
allocate(material_homog(mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt)
allocate(material_homogenizationAt,source=mesh_homogenizationAt)
allocate(material_texture(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt)
allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0.0_pReal)
allocate(material_texture(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt)
allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0.0_pReal)
allocate(Ngrains(size(config_homogenization),size(config_microstructure)), source=0_pInt)
allocate(Nelems (size(config_homogenization),size(config_microstructure)), source=0_pInt)
@ -1280,39 +1268,31 @@ subroutine material_populateGrains
real(texture_symmetry(textureID),pReal),pInt) ! max number of unique orientations (excl. symmetry)
!--------------------------------------------------------------------------------------------------
! ...has texture components
if (texture_ODFfile(textureID) == '') then
gauss: do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components
do g = 1_pInt,int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count
orientationOfGrain(:,grain+constituentGrain+g) = &
math_sampleGaussOri(texture_Gauss(1:3,t,textureID),&
texture_Gauss( 4,t,textureID))
enddo
constituentGrain = &
constituentGrain + int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID)) ! advance counter for grains of current constituent
enddo gauss
! has texture components
gauss: do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components
do g = 1_pInt,int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count
orientationOfGrain(:,grain+constituentGrain+g) = &
math_sampleGaussOri(texture_Gauss(1:3,t,textureID),&
texture_Gauss( 4,t,textureID))
enddo
constituentGrain = &
constituentGrain + int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID)) ! advance counter for grains of current constituent
enddo gauss
fiber: do t = 1_pInt,texture_Nfiber(textureID) ! loop over fiber components
do g = 1_pInt,int(real(myNorientations,pReal)*texture_Fiber(6,t,textureID),pInt) ! loop over required grain count
orientationOfGrain(:,grain+constituentGrain+g) = &
math_sampleFiberOri(texture_Fiber(1:2,t,textureID),&
texture_Fiber(3:4,t,textureID),&
texture_Fiber( 5,t,textureID))
enddo
constituentGrain = &
constituentGrain + int(real(myNorientations,pReal)*texture_fiber(6,t,textureID),pInt) ! advance counter for grains of current constituent
enddo fiber
fiber: do t = 1_pInt,texture_Nfiber(textureID) ! loop over fiber components
do g = 1_pInt,int(real(myNorientations,pReal)*texture_Fiber(6,t,textureID),pInt) ! loop over required grain count
orientationOfGrain(:,grain+constituentGrain+g) = &
math_sampleFiberOri(texture_Fiber(1:2,t,textureID),&
texture_Fiber(3:4,t,textureID),&
texture_Fiber( 5,t,textureID))
enddo
constituentGrain = &
constituentGrain + int(real(myNorientations,pReal)*texture_fiber(6,t,textureID),pInt) ! advance counter for grains of current constituent
enddo fiber
random: do constituentGrain = constituentGrain+1_pInt,myNorientations ! fill remainder with random
orientationOfGrain(:,grain+constituentGrain) = math_sampleRandomOri()
enddo random
!--------------------------------------------------------------------------------------------------
! ...has hybrid IA
else
orientationOfGrain(1:3,grain+1_pInt:grain+myNorientations) = &
IO_hybridIA(myNorientations,texture_ODFfile(textureID))
if (all(dEq(orientationOfGrain(1:3,grain+1_pInt),-1.0_pReal))) call IO_error(156_pInt)
endif
random: do constituentGrain = constituentGrain+1_pInt,myNorientations ! fill remainder with random
orientationOfGrain(:,grain+constituentGrain) = math_sampleRandomOri()
enddo random
!--------------------------------------------------------------------------------------------------
! ...texture transformation