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DAMASK_EICMD
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Merge branch 'development' into MiscImprovements

This commit is contained in:
Martin Diehl 2019-05-08 22:19:12 +02:00
parent 9b698cbdf5 f40b2e895f
commit 6c02d71019
3 changed files with 38 additions and 83 deletions
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2
PRIVATE

@ -1 +1 @@
Subproject commit 212ac3b326f3a15926d71109fec0173d95931b6b
Subproject commit aadf2d82a7e04646e3f20c3d526f27a6f90acef0

2
VERSION
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@ -1 +1 @@
v2.0.3-229-g90fa809f
v2.0.3-236-g77856159

117
src/material.f90
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@ -183,14 +183,11 @@ module material
integer(pInt), private :: &
microstructure_maxNconstituents, & !< max number of constituents in any phase
texture_maxNgauss, & !< max number of Gauss components in any texture
texture_maxNfiber !< max number of Fiber components in any texture
texture_maxNgauss !< max number of Gauss components in any texture
integer(pInt), dimension(:), allocatable, private :: &
microstructure_Nconstituents, & !< number of constituents in each microstructure
texture_symmetry, & !< number of symmetric orientations per texture
texture_Ngauss, & !< number of Gauss components per texture
texture_Nfiber !< number of Fiber components per texture
texture_Ngauss !< number of Gauss components per texture
integer(pInt), dimension(:,:), allocatable, private :: &
microstructure_phase, & !< phase IDs of each microstructure
@ -200,9 +197,7 @@ module material
microstructure_fraction !< vol fraction of each constituent in microstructure
real(pReal), dimension(:,:,:), allocatable, private :: &
material_volume, & !< volume of each grain,IP,element
texture_Gauss, & !< data of each Gauss component
texture_Fiber, & !< data of each Fiber component
texture_transformation !< transformation for each texture
logical, dimension(:), allocatable, private :: &
@ -807,31 +802,27 @@ subroutine material_parseTexture
math_det33
implicit none
integer(pInt) :: section, gauss, fiber, j, t, i
integer(pInt) :: section, gauss, j, t, i
character(len=65536), dimension(:), allocatable :: strings ! Values for given key in material config
integer(pInt), dimension(:), allocatable :: chunkPos
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)
do t=1_pInt, size(config_texture)
texture_Ngauss(t) = config_texture(t)%countKeys('(gauss)') &
+ config_texture(t)%countKeys('(random)')
texture_Nfiber(t) = config_texture(t)%countKeys('(fiber)')
texture_Ngauss(t) = config_texture(t)%countKeys('(gauss)')
if (config_texture(t)%keyExists('symmetry')) call IO_error(147,ext_msg='symmetry')
if (config_texture(t)%keyExists('(random)')) call IO_error(147,ext_msg='(random)')
if (config_texture(t)%keyExists('(fiber)')) call IO_error(147,ext_msg='(fiber)')
enddo
texture_maxNgauss = maxval(texture_Ngauss)
texture_maxNfiber = maxval(texture_Nfiber)
allocate(texture_Gauss (5,texture_maxNgauss,size(config_texture)), source=0.0_pReal)
allocate(texture_Fiber (6,texture_maxNfiber,size(config_texture)), source=0.0_pReal)
allocate(texture_transformation(3,3,size(config_texture)), source=0.0_pReal)
texture_transformation = spread(math_I3,3,size(config_texture))
do t=1_pInt, size(config_texture)
section = t
gauss = 0_pInt
fiber = 0_pInt
if (config_texture(t)%keyExists('axes')) then
strings = config_texture(t)%getStrings('axes')
@ -856,10 +847,6 @@ subroutine material_parseTexture
if(dNeq(math_det33(texture_transformation(1:3,1:3,t)),1.0_pReal)) call IO_error(157_pInt,t)
endif
if (config_texture(t)%keyExists('symmetry')) call IO_error(147,ext_msg='symmetry')
if (config_texture(t)%keyExists('(random)')) call IO_error(147,ext_msg='(random)')
if (config_texture(t)%keyExists('(fiber)')) call IO_error(147,ext_msg='(fiber)')
if (config_texture(t)%keyExists('(gauss)')) then
gauss = gauss + 1_pInt
strings = config_texture(t)%getStrings('(gauss)',raw= .true.)
@ -873,10 +860,6 @@ subroutine material_parseTexture
texture_Gauss(2,gauss,t) = IO_floatValue(strings(i),chunkPos,j+1_pInt)*inRad
case('phi2')
texture_Gauss(3,gauss,t) = IO_floatValue(strings(i),chunkPos,j+1_pInt)*inRad
case('scatter')
texture_Gauss(4,gauss,t) = IO_floatValue(strings(i),chunkPos,j+1_pInt)*inRad
case('fraction')
texture_Gauss(5,gauss,t) = IO_floatValue(strings(i),chunkPos,j+1_pInt)
end select
enddo
enddo
@ -984,28 +967,19 @@ end subroutine material_allocateSourceState
!! calculates the volume of the grains and deals with texture components
!--------------------------------------------------------------------------------------------------
subroutine material_populateGrains
use prec, only: &
dEq
use math, only: &
math_EulertoR, &
math_RtoEuler, &
math_EulerToR, &
math_mul33x33, &
math_range
use mesh, only: &
theMesh, &
mesh_ipVolume
theMesh
use config, only: &
config_homogenization, &
config_microstructure, &
config_deallocate, &
homogenization_name, &
microstructure_name
config_deallocate
use IO, only: &
IO_error
use debug, only: &
debug_level, &
debug_material, &
debug_levelBasic
implicit none
integer(pInt), dimension (:,:), allocatable :: Ngrains
@ -1015,21 +989,17 @@ subroutine material_populateGrains
randomOrder
real(pReal), dimension (microstructure_maxNconstituents) :: &
rndArray
real(pReal), dimension (:), allocatable :: volumeOfGrain
real(pReal), dimension (:,:), allocatable :: orientationOfGrain
real(pReal), dimension (3) :: orientation
real(pReal), dimension (3,3) :: symOrientation
integer(pInt), dimension (:), allocatable :: phaseOfGrain, textureOfGrain
integer(pInt) :: t,e,i,g,j,m,c,r,homog,micro,sgn,hme, myDebug, &
integer(pInt) :: t,e,i,g,j,m,c,r,homog,micro,sgn,hme, &
phaseID,textureID,dGrains,myNgrains,myNorientations,myNconstituents, &
grain,constituentGrain,ipGrain,symExtension, ip
grain,constituentGrain,ipGrain,ip
real(pReal) :: deviation,extreme,rnd
integer(pInt), dimension (:,:), allocatable :: Nelems ! counts number of elements in homog, micro array
type(group_int), dimension (:,:), allocatable :: elemsOfHomogMicro ! lists element number in homog, micro array
myDebug = debug_level(debug_material)
allocate(material_volume(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems), source=0.0_pReal)
allocate(material_phase(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems), source=0_pInt)
allocate(material_texture(homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems), source=0_pInt)
allocate(material_EulerAngles(3,homogenization_maxNgrains,theMesh%elem%nIPs,theMesh%Nelems),source=0.0_pReal)
@ -1038,6 +1008,25 @@ subroutine material_populateGrains
allocate(Nelems (size(config_homogenization),size(config_microstructure)), source=0_pInt)
do e = 1, theMesh%Nelems
do i = 1, theMesh%elem%nIPs
homog = theMesh%homogenizationAt(e)
micro = theMesh%microstructureAt(e)
do c = 1, homogenization_Ngrains(homog)
material_phase(c,i,e) = microstructure_phase(c,micro)
material_texture(c,i,e) = microstructure_texture(c,micro)
material_EulerAngles(1:3,c,i,e) = texture_Gauss(1:3,1,material_texture(c,i,e))
material_EulerAngles(1:3,c,i,e) = math_RtoEuler( & ! translate back to Euler angles
math_mul33x33( & ! pre-multiply
math_EulertoR(material_EulerAngles(1:3,c,i,e)), & ! face-value orientation
texture_transformation(1:3,1:3,material_texture(c,i,e)) & ! and transformation matrix
) &
)
enddo
enddo
enddo
return
!--------------------------------------------------------------------------------------------------
! precounting of elements for each homog/micro pair
do e = 1_pInt, theMesh%Nelems
@ -1075,47 +1064,17 @@ subroutine material_populateGrains
elemsOfHomogMicro(homog,micro)%p(Nelems(homog,micro)) = e ! remember elements active in this homog/micro pair
enddo elementLooping
allocate(volumeOfGrain(maxval(Ngrains)), source=0.0_pReal) ! reserve memory for maximum case
allocate(phaseOfGrain(maxval(Ngrains)), source=0_pInt) ! reserve memory for maximum case
allocate(textureOfGrain(maxval(Ngrains)), source=0_pInt) ! 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
write(6,'(/,a/)') ' MATERIAL grain population'
write(6,'(a32,1x,a32,1x,a6)') 'homogenization_name','microstructure_name','grain#'
endif
homogenizationLoop: do homog = 1_pInt,size(config_homogenization)
dGrains = homogenization_Ngrains(homog) ! grain number per material point
microstructureLoop: do micro = 1_pInt,size(config_microstructure) ! all pairs of homog and micro
microstructureLoop: do micro = 1_pInt,size(config_microstructure) ! all pairs of homog and micro
activePair: if (Ngrains(homog,micro) > 0_pInt) then
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
if (iand(myDebug,debug_levelBasic) /= 0_pInt) &
write(6,'(/,a32,1x,a32,1x,i6)') homogenization_name(homog),microstructure_name(micro),myNgrains
!--------------------------------------------------------------------------------------------------
! calculate volume of each grain
volumeOfGrain = 0.0_pReal
grain = 0_pInt
do hme = 1_pInt, Nelems(homog,micro)
e = elemsOfHomogMicro(homog,micro)%p(hme) ! my combination of homog and micro, only perform calculations for elements with homog, micro combinations which is indexed in cpElemsindex
if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
volumeOfGrain(grain+1_pInt:grain+dGrains) = sum(mesh_ipVolume(1:theMesh%elem%nIPs,e))/&
real(dGrains,pReal) ! each grain combines size of all IPs in that element
grain = grain + dGrains ! wind forward by Ngrains@IP
else
forall (i = 1_pInt:theMesh%elem%nIPs) & ! loop over IPs
volumeOfGrain(grain+(i-1)*dGrains+1_pInt:grain+i*dGrains) = &
mesh_ipVolume(i,e)/real(dGrains,pReal) ! assign IPvolume/Ngrains@IP to all grains of IP
grain = grain + theMesh%elem%nIPs * dGrains ! wind forward by Nips*Ngrains@IP
endif
enddo
if (grain /= myNgrains) &
call IO_error(0,el = homog,ip = micro,ext_msg = 'inconsistent grain count after volume calc')
!--------------------------------------------------------------------------------------------------
! divide myNgrains as best over constituents
@ -1165,8 +1124,7 @@ subroutine material_populateGrains
phaseOfGrain (grain+1_pInt:grain+NgrainsOfConstituent(i)) = phaseID ! assign resp. phase
textureOfGrain(grain+1_pInt:grain+NgrainsOfConstituent(i)) = textureID ! assign resp. texture
myNorientations = ceiling(real(NgrainsOfConstituent(i),pReal)/&
real(texture_symmetry(textureID),pReal),pInt) ! max number of unique orientations (excl. symmetry)
myNorientations = ceiling(real(NgrainsOfConstituent(i),pReal)/1.0,pInt) ! max number of unique orientations (excl. symmetry)
!--------------------------------------------------------------------------------------------------
! has texture components
@ -1196,7 +1154,7 @@ subroutine material_populateGrains
do j = 1_pInt,NgrainsOfConstituent(i)-1_pInt ! walk thru grains of current constituent
call random_number(rnd)
t = nint(rnd*real(NgrainsOfConstituent(i)-j,pReal)+real(j,pReal)+0.5_pReal,pInt) ! select a grain in remaining list
t = nint(rnd*real(NgrainsOfConstituent(i)-j,pReal)+real(j,pReal)+0.5_pReal,pInt) ! select a grain in remaining list
m = phaseOfGrain(grain+t) ! exchange current with random
phaseOfGrain(grain+t) = phaseOfGrain(grain+j)
phaseOfGrain(grain+j) = m
@ -1244,7 +1202,6 @@ subroutine material_populateGrains
currentGrainOfConstituent(c)))
ipGrain = ipGrain + 1_pInt ! advance IP grain counter
currentGrainOfConstituent(c) = currentGrainOfConstituent(c) + 1_pInt ! advance index of grain population for constituent c
material_volume(ipGrain,i,e) = volumeOfGrain(grain+currentGrainOfConstituent(c)) ! assign properties
material_phase(ipGrain,i,e) = phaseOfGrain(grain+currentGrainOfConstituent(c))
material_texture(ipGrain,i,e) = textureOfGrain(grain+currentGrainOfConstituent(c))
material_EulerAngles(1:3,ipGrain,i,e) = orientationOfGrain(1:3,grain+currentGrainOfConstituent(c))
@ -1254,7 +1211,6 @@ subroutine material_populateGrains
grain = sum(NgrainsOfConstituent(1:c-1_pInt)) ! figure out actual starting index in overall/consecutive grain population
do ipGrain = ipGrain + 1_pInt, dGrains ! ensure last constituent fills up to dGrains
currentGrainOfConstituent(c) = currentGrainOfConstituent(c) + 1_pInt
material_volume(ipGrain,i,e) = volumeOfGrain(grain+currentGrainOfConstituent(c))
material_phase(ipGrain,i,e) = phaseOfGrain(grain+currentGrainOfConstituent(c))
material_texture(ipGrain,i,e) = textureOfGrain(grain+currentGrainOfConstituent(c))
material_EulerAngles(1:3,ipGrain,i,e) = orientationOfGrain(1:3,grain+currentGrainOfConstituent(c))
@ -1263,7 +1219,6 @@ subroutine material_populateGrains
enddo
do i = i, theMesh%elem%nIPs ! loop over IPs to (possibly) distribute copies from first IP
material_volume (1_pInt:dGrains,i,e) = material_volume (1_pInt:dGrains,1,e)
material_phase (1_pInt:dGrains,i,e) = material_phase (1_pInt:dGrains,1,e)
material_texture(1_pInt:dGrains,i,e) = material_texture(1_pInt:dGrains,1,e)
material_EulerAngles(1:3,1_pInt:dGrains,i,e) = material_EulerAngles(1:3,1_pInt:dGrains,1,e)
@ -1275,7 +1230,7 @@ subroutine material_populateGrains
enddo homogenizationLoop
deallocate(texture_transformation)
deallocate(elemsOfHomogMicro)
call config_deallocate('material.config/microstructure')
end subroutine material_populateGrains