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added "texture 

" as possible crystallite output => reports ID for later discrimination...
This commit is contained in:
Nan Jia 2011-03-22 13:40:27 +00:00
parent b8b75edd7d
commit 7be2edb10e
2 changed files with 38 additions and 25 deletions
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14
code/crystallite.f90
View File

@ -251,16 +251,12 @@ enddo
do i = 1,material_Ncrystallite do i = 1,material_Ncrystallite
do j = 1,crystallite_Noutput(i) do j = 1,crystallite_Noutput(i)
select case(crystallite_output(j,i)) select case(crystallite_output(j,i))
case('phase') case('phase','texture','volume')
mySize = 1 mySize = 1
case('volume') case('orientation','grainrotation') ! orientation as quaternion, or deviation from initial grain orientation in axis-angle form (angle in degrees)
mySize = 1
case('orientation') ! orientation as quaternion
mySize = 4 mySize = 4
case('eulerangles') ! Bunge Euler angles case('eulerangles') ! Bunge (3-1-3) Euler angles
mySize = 3 mySize = 3
case('grainrotation') ! Deviation from initial grain orientation in axis-angle form (angle in degrees)
mySize = 4
case('defgrad','f','fe','fp','lp','ee','p','firstpiola','1stpiola','s','tstar','secondpiola','2ndpiola') case('defgrad','f','fe','fp','lp','ee','p','firstpiola','1stpiola','s','tstar','secondpiola','2ndpiola')
mySize = 9 mySize = 9
case default case default
@ -3037,6 +3033,7 @@ function crystallite_postResults(&
use material, only: microstructure_crystallite, & use material, only: microstructure_crystallite, &
crystallite_Noutput, & crystallite_Noutput, &
material_phase, & material_phase, &
material_texture, &
material_volume material_volume
use constitutive, only: constitutive_sizePostResults, & use constitutive, only: constitutive_sizePostResults, &
constitutive_postResults constitutive_postResults
@ -3070,6 +3067,9 @@ function crystallite_postResults(&
case ('phase') case ('phase')
crystallite_postResults(c+1) = material_phase(g,i,e) ! phaseID of grain crystallite_postResults(c+1) = material_phase(g,i,e) ! phaseID of grain
c = c + 1_pInt c = c + 1_pInt
case ('texture')
crystallite_postResults(c+1) = material_texture(g,i,e) ! textureID of grain
c = c + 1_pInt
case ('volume') case ('volume')
crystallite_postResults(c+1) = material_volume(g,i,e) ! grain volume (not fraction but absolute, right?) crystallite_postResults(c+1) = material_volume(g,i,e) ! grain volume (not fraction but absolute, right?)
c = c + 1_pInt c = c + 1_pInt

49
code/material.f90
View File

@ -70,7 +70,8 @@ real(pReal), dimension(:,:), allocatable :: &
real(pReal), dimension(:,:,:), allocatable :: & real(pReal), dimension(:,:,:), allocatable :: &
material_volume ! volume of each grain,IP,element material_volume ! volume of each grain,IP,element
integer(pInt), dimension(:,:,:), allocatable :: & integer(pInt), dimension(:,:,:), allocatable :: &
material_phase ! phase of each grain,IP,element material_phase, & ! phase (index) of each grain,IP,element
material_texture ! texture (index) of each grain,IP,element
real(pReal), dimension(:,:,:,:), allocatable :: & real(pReal), dimension(:,:,:,:), allocatable :: &
material_EulerAngles ! initial orientation of each grain,IP,element material_EulerAngles ! initial orientation of each grain,IP,element
real(pReal), dimension(:,:,:), allocatable :: & real(pReal), dimension(:,:,:), allocatable :: &
@ -556,15 +557,16 @@ subroutine material_populateGrains()
real(pReal), dimension (:,:), allocatable :: orientationOfGrain real(pReal), dimension (:,:), allocatable :: orientationOfGrain
real(pReal), dimension (3) :: orientation real(pReal), dimension (3) :: orientation
real(pReal), dimension (3,3) :: symOrientation real(pReal), dimension (3,3) :: symOrientation
integer(pInt), dimension (:), allocatable :: phaseOfGrain integer(pInt), dimension (:), allocatable :: phaseOfGrain, textureOfGrain
integer(pInt) t,e,i,g,j,m,homog,micro,sgn integer(pInt) t,e,i,g,j,m,homog,micro,sgn
integer(pInt) phaseID,textureID,dGrains,myNgrains,myNorientations, & integer(pInt) phaseID,textureID,dGrains,myNgrains,myNorientations, &
grain,constituentGrain,symExtension grain,constituentGrain,symExtension
real(pReal) extreme,rnd real(pReal) extreme,rnd
allocate(material_volume(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; material_volume = 0.0_pReal allocate(material_volume(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; material_volume = 0.0_pReal
allocate(material_phase(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; material_phase = 0_pInt allocate(material_phase(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; material_phase = 0_pInt
allocate(material_texture(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; material_texture = 0_pInt
allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; material_EulerAngles = 0.0_pReal allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems)) ; material_EulerAngles = 0.0_pReal
allocate(Ngrains(material_Nhomogenization,material_Nmicrostructure)); Ngrains = 0_pInt allocate(Ngrains(material_Nhomogenization,material_Nmicrostructure)); Ngrains = 0_pInt
@ -587,6 +589,7 @@ subroutine material_populateGrains()
allocate(volumeOfGrain(maxval(Ngrains))) ! reserve memory for maximum case allocate(volumeOfGrain(maxval(Ngrains))) ! reserve memory for maximum case
allocate(phaseOfGrain(maxval(Ngrains))) ! reserve memory for maximum case allocate(phaseOfGrain(maxval(Ngrains))) ! reserve memory for maximum case
allocate(textureOfGrain(maxval(Ngrains))) ! reserve memory for maximum case
allocate(orientationOfGrain(3,maxval(Ngrains))) ! reserve memory for maximum case allocate(orientationOfGrain(3,maxval(Ngrains))) ! reserve memory for maximum case
if (debug_verbosity > 0) then if (debug_verbosity > 0) then
@ -643,6 +646,7 @@ subroutine material_populateGrains()
enddo enddo
! ---------------------------------------------------------------------------- ! ----------------------------------------------------------------------------
phaseOfGrain = 0_pInt phaseOfGrain = 0_pInt
textureOfGrain = 0_pInt
orientationOfGrain = 0.0_pReal orientationOfGrain = 0.0_pReal
grain = 0_pInt ! reset microstructure grain index grain = 0_pInt ! reset microstructure grain index
@ -650,6 +654,7 @@ subroutine material_populateGrains()
phaseID = microstructure_phase(i,micro) phaseID = microstructure_phase(i,micro)
textureID = microstructure_texture(i,micro) textureID = microstructure_texture(i,micro)
phaseOfGrain(grain+1:grain+NgrainsOfConstituent(i)) = phaseID ! assign resp. phase phaseOfGrain(grain+1:grain+NgrainsOfConstituent(i)) = phaseID ! assign resp. phase
textureOfGrain(grain+1:grain+NgrainsOfConstituent(i)) = textureID ! assign resp. texture
myNorientations = ceiling(float(NgrainsOfConstituent(i))/texture_symmetry(textureID)) ! max number of unique orientations (excl. symmetry) myNorientations = ceiling(float(NgrainsOfConstituent(i))/texture_symmetry(textureID)) ! max number of unique orientations (excl. symmetry)
@ -707,16 +712,21 @@ subroutine material_populateGrains()
enddo ! constituent enddo ! constituent
! ---------------------------------------------------------------------------- ! ----------------------------------------------------------------------------
do i=1,myNgrains-1 ! walk thru grains if (.not. microstructure_elemhomo(micro)) then ! unless element homogeneous, reshuffle grains
call random_number(rnd) do i=1,myNgrains-1 ! walk thru grains
t = nint(rnd*(myNgrains-i)+i+0.5_pReal,pInt) ! select a grain in remaining list call random_number(rnd)
m = phaseOfGrain(t) ! exchange current with random t = nint(rnd*(myNgrains-i)+i+0.5_pReal,pInt) ! select a grain in remaining list
phaseOfGrain(t) = phaseOfGrain(i) m = phaseOfGrain(t) ! exchange current with random
phaseOfGrain(i) = m phaseOfGrain(t) = phaseOfGrain(i)
orientation = orientationOfGrain(:,t) phaseOfGrain(i) = m
orientationOfGrain(:,t) = orientationOfGrain(:,i) m = textureOfGrain(t) ! exchange current with random
orientationOfGrain(:,i) = orientation textureOfGrain(t) = textureOfGrain(i)
enddo textureOfGrain(i) = m
orientation = orientationOfGrain(:,t)
orientationOfGrain(:,t) = orientationOfGrain(:,i)
orientationOfGrain(:,i) = orientation
enddo
endif
!calc fraction after weighing with volumePerGrain !calc fraction after weighing with volumePerGrain
!exchange in MC steps to improve result... !exchange in MC steps to improve result...
@ -726,16 +736,18 @@ subroutine material_populateGrains()
if (mesh_element(3,e) == homog .and. mesh_element(4,e) == micro) then ! my combination of homog and micro if (mesh_element(3,e) == homog .and. mesh_element(4,e) == micro) then ! my combination of homog and micro
if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs if (microstructure_elemhomo(micro)) then ! homogeneous distribution of grains over each element's IPs
forall (i = 1:FE_Nips(mesh_element(2,e)), g = 1:dGrains) ! loop over IPs and grains forall (i = 1:FE_Nips(mesh_element(2,e)), g = 1:dGrains) ! loop over IPs and grains
material_volume(g,i,e) = volumeOfGrain(grain+g) material_volume(g,i,e) = volumeOfGrain(grain+g)
material_phase(g,i,e) = phaseOfGrain(grain+g) material_phase(g,i,e) = phaseOfGrain(grain+g)
material_texture(g,i,e) = textureOfGrain(grain+g)
material_EulerAngles(:,g,i,e) = orientationOfGrain(:,grain+g) material_EulerAngles(:,g,i,e) = orientationOfGrain(:,grain+g)
end forall end forall
FEsolving_execIP(2,e) = 1_pInt ! restrict calculation to first IP only, since all other results are to be copied from this FEsolving_execIP(2,e) = 1_pInt ! restrict calculation to first IP only, since all other results are to be copied from this
grain = grain + dGrains ! wind forward by NgrainsPerIP grain = grain + dGrains ! wind forward by NgrainsPerIP
else else
forall (i = 1:FE_Nips(mesh_element(2,e)), g = 1:dGrains) ! loop over IPs and grains forall (i = 1:FE_Nips(mesh_element(2,e)), g = 1:dGrains) ! loop over IPs and grains
material_volume(g,i,e) = volumeOfGrain(grain+(i-1)*dGrains+g) material_volume(g,i,e) = volumeOfGrain(grain+(i-1)*dGrains+g)
material_phase(g,i,e) = phaseOfGrain(grain+(i-1)*dGrains+g) material_phase(g,i,e) = phaseOfGrain(grain+(i-1)*dGrains+g)
material_texture(g,i,e) = textureOfGrain(grain+(i-1)*dGrains+g)
material_EulerAngles(:,g,i,e) = orientationOfGrain(:,grain+(i-1)*dGrains+g) material_EulerAngles(:,g,i,e) = orientationOfGrain(:,grain+(i-1)*dGrains+g)
end forall end forall
grain = grain + FE_Nips(mesh_element(2,e)) * dGrains ! wind forward by Nips*NgrainsPerIP grain = grain + FE_Nips(mesh_element(2,e)) * dGrains ! wind forward by Nips*NgrainsPerIP
@ -749,6 +761,7 @@ subroutine material_populateGrains()
deallocate(volumeOfGrain) deallocate(volumeOfGrain)
deallocate(phaseOfGrain) deallocate(phaseOfGrain)
deallocate(textureOfGrain)
deallocate(orientationOfGrain) deallocate(orientationOfGrain)
return return