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reworked crystallite part to allow for flexible user output 

--> new "crystallite" part in config file
--> new "crystallite" option for microstructures
--> new output file "...job.outputCrystallite" to be used in conjunction with marc_addUserOutput for meaningful naming of User Defined Vars.
This commit is contained in:
Philip Eisenlohr 2010-02-25 17:39:11 +00:00
parent 538faecf45
commit 8c8ed34356
10 changed files with 662 additions and 464 deletions
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4
code/IO.f90
View File

@ -959,11 +959,15 @@ endfunction
msg = 'No homogenization specified via State Variable 2' msg = 'No homogenization specified via State Variable 2'
case (120) case (120)
msg = 'No microstructure specified via State Variable 3' msg = 'No microstructure specified via State Variable 3'
case (125)
msg = 'No entries in config part'
case (130) case (130)
msg = 'Homogenization index out of bounds' msg = 'Homogenization index out of bounds'
case (140) case (140)
msg = 'Microstructure index out of bounds' msg = 'Microstructure index out of bounds'
case (150) case (150)
msg = 'Crystallite index out of bounds'
case (155)
msg = 'Phase index out of bounds' msg = 'Phase index out of bounds'
case (160) case (160)
msg = 'Texture index out of bounds' msg = 'Texture index out of bounds'

2
code/constitutive.f90
View File

@ -98,7 +98,7 @@ subroutine constitutive_init()
write(fileunit,'(a)') '['//trim(phase_name(p))//']' write(fileunit,'(a)') '['//trim(phase_name(p))//']'
write(fileunit,*) write(fileunit,*)
if (knownConstitution) then if (knownConstitution) then
write(fileunit,'(a)') '#'//char(9)//'constitution'//char(9)//trim(phase_constitution(p)) write(fileunit,'(a)') '(constitution)'//char(9)//trim(phase_constitution(p))
do e = 1,phase_Noutput(p) do e = 1,phase_Noutput(p)
write(fileunit,'(a,i4)') trim(thisOutput(e,i))//char(9),thisSize(e,i) write(fileunit,'(a,i4)') trim(thisOutput(e,i))//char(9),thisSize(e,i)
enddo enddo

326
code/crystallite.f90
View File

@ -19,8 +19,12 @@ implicit none
! **************************************************************** ! ****************************************************************
! *** General variables for the crystallite calculation *** ! *** General variables for the crystallite calculation ***
! **************************************************************** ! ****************************************************************
integer(pInt), parameter :: crystallite_Nresults = 14_pInt ! phaseID, volume, Euler angles, def gradient
integer(pInt) crystallite_maxSizePostResults
integer(pInt), dimension(:), allocatable :: crystallite_sizePostResults
integer(pInt), dimension(:,:), allocatable :: crystallite_sizePostResult
character(len=64), dimension(:,:), allocatable :: crystallite_output ! name of each post result output
real(pReal), dimension (:,:,:), allocatable :: & real(pReal), dimension (:,:,:), allocatable :: &
crystallite_dt, & ! requested time increment of each grain crystallite_dt, & ! requested time increment of each grain
crystallite_subdt, & ! substepped time increment of each grain crystallite_subdt, & ! substepped time increment of each grain
@ -73,104 +77,185 @@ CONTAINS
! allocate and initialize per grain variables ! allocate and initialize per grain variables
!******************************************************************** !********************************************************************
subroutine crystallite_init(Temperature) subroutine crystallite_init(Temperature)
!*** variables and functions from other modules ***! !*** variables and functions from other modules ***!
use prec, only: pInt, & use prec, only: pInt, &
pReal pReal
use debug, only: debug_info, & use debug, only: debug_info, &
debug_reset debug_reset
use math, only: math_I3, & use math, only: math_I3, &
math_EulerToR math_EulerToR
use FEsolving, only: FEsolving_execElem, & use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP FEsolving_execIP
use mesh, only: mesh_element, & use mesh, only: mesh_element, &
mesh_NcpElems, & mesh_NcpElems, &
mesh_maxNips, & mesh_maxNips, &
mesh_maxNipNeighbors mesh_maxNipNeighbors
use material, only: homogenization_Ngrains, & use IO
homogenization_maxNgrains, & use material
material_EulerAngles, &
material_phase, &
phase_localConstitution
implicit none
!*** input variables ***!
real(pReal) Temperature
!*** output variables ***! implicit none
integer(pInt), parameter :: file = 200
!*** local variables ***! !*** input variables ***!
integer(pInt) g, & ! grain number real(pReal) Temperature
i, & ! integration point number
e, & ! element number !*** output variables ***!
gMax, & ! maximum number of grains
iMax, & ! maximum number of integration points !*** local variables ***!
eMax, & ! maximum number of elements integer(pInt), parameter :: maxNchunks = 2
nMax, & ! maximum number of ip neighbors integer(pInt), dimension(1+2*maxNchunks) :: positions
myNgrains integer(pInt) g, & ! grain number
i, & ! integration point number
e, & ! element number
gMax, & ! maximum number of grains
iMax, & ! maximum number of integration points
eMax, & ! maximum number of elements
nMax, & ! maximum number of ip neighbors
myNgrains, & ! number of grains in current IP
myCrystallite ! crystallite of current elem
integer(pInt) section, j,p, output, mySize
character(len=64) tag
character(len=1024) line
gMax = homogenization_maxNgrains
iMax = mesh_maxNips
eMax = mesh_NcpElems
nMax = mesh_maxNipNeighbors
allocate(crystallite_Temperature(gMax,iMax,eMax)); crystallite_Temperature = Temperature
allocate(crystallite_P(3,3,gMax,iMax,eMax)); crystallite_P = 0.0_pReal
allocate(crystallite_Fe(3,3,gMax,iMax,eMax)); crystallite_Fe = 0.0_pReal
allocate(crystallite_Fp(3,3,gMax,iMax,eMax)); crystallite_Fp = 0.0_pReal
allocate(crystallite_invFp(3,3,gMax,iMax,eMax)); crystallite_invFp = 0.0_pReal
allocate(crystallite_Lp(3,3,gMax,iMax,eMax)); crystallite_Lp = 0.0_pReal
allocate(crystallite_Tstar_v(6,gMax,iMax,eMax)); crystallite_Tstar_v = 0.0_pReal
allocate(crystallite_F0(3,3,gMax,iMax,eMax)); crystallite_F0 = 0.0_pReal
allocate(crystallite_Fp0(3,3,gMax,iMax,eMax)); crystallite_Fp0 = 0.0_pReal
allocate(crystallite_Lp0(3,3,gMax,iMax,eMax)); crystallite_Lp0 = 0.0_pReal
allocate(crystallite_Tstar0_v(6,gMax,iMax,eMax)); crystallite_Tstar0_v = 0.0_pReal
allocate(crystallite_partionedTemperature0(gMax,iMax,eMax)); crystallite_partionedTemperature0 = 0.0_pReal
allocate(crystallite_partionedF(3,3,gMax,iMax,eMax)); crystallite_partionedF = 0.0_pReal
allocate(crystallite_partionedF0(3,3,gMax,iMax,eMax)); crystallite_partionedF0 = 0.0_pReal
allocate(crystallite_partionedFp0(3,3,gMax,iMax,eMax)); crystallite_partionedFp0 = 0.0_pReal
allocate(crystallite_partionedLp0(3,3,gMax,iMax,eMax)); crystallite_partionedLp0 = 0.0_pReal
allocate(crystallite_partionedTstar0_v(6,gMax,iMax,eMax)); crystallite_partionedTstar0_v = 0.0_pReal
allocate(crystallite_subTemperature0(gMax,iMax,eMax)); crystallite_subTemperature0 = 0.0_pReal
allocate(crystallite_subF(3,3,gMax,iMax,eMax)); crystallite_subF = 0.0_pReal
allocate(crystallite_subF0(3,3,gMax,iMax,eMax)); crystallite_subF0 = 0.0_pReal
allocate(crystallite_subFp0(3,3,gMax,iMax,eMax)); crystallite_subFp0 = 0.0_pReal
allocate(crystallite_subLp0(3,3,gMax,iMax,eMax)); crystallite_subLp0 = 0.0_pReal
allocate(crystallite_R(3,3,gMax,iMax,eMax)); crystallite_R = 0.0_pReal
allocate(crystallite_eulerangles(3,gMax,iMax,eMax)); crystallite_eulerangles = 0.0_pReal
allocate(crystallite_misorientation(4,nMax,gMax,iMax,eMax)); crystallite_misorientation = 0.0_pReal
allocate(crystallite_subTstar0_v(6,gMax,iMax,eMax)); crystallite_subTstar0_v = 0.0_pReal
allocate(crystallite_dPdF(3,3,3,3,gMax,iMax,eMax)); crystallite_dPdF = 0.0_pReal
allocate(crystallite_fallbackdPdF(3,3,3,3,gMax,iMax,eMax)); crystallite_fallbackdPdF = 0.0_pReal
allocate(crystallite_dt(gMax,iMax,eMax)); crystallite_dt = 0.0_pReal
allocate(crystallite_subdt(gMax,iMax,eMax)); crystallite_subdt = 0.0_pReal
allocate(crystallite_subFrac(gMax,iMax,eMax)); crystallite_subFrac = 0.0_pReal
allocate(crystallite_subStep(gMax,iMax,eMax)); crystallite_subStep = 0.0_pReal
allocate(crystallite_localConstitution(gMax,iMax,eMax)); crystallite_localConstitution = .true.
allocate(crystallite_requested(gMax,iMax,eMax)); crystallite_requested = .false.
allocate(crystallite_converged(gMax,iMax,eMax)); crystallite_converged = .true.
allocate(crystallite_stateConverged(gMax,iMax,eMax)); crystallite_stateConverged = .false.
allocate(crystallite_temperatureConverged(gMax,iMax,eMax)); crystallite_temperatureConverged = .false.
allocate(crystallite_todo(gMax,iMax,eMax)); crystallite_todo = .true.
gMax = homogenization_maxNgrains allocate(crystallite_output(maxval(crystallite_Noutput), &
iMax = mesh_maxNips material_Ncrystallite)) ; crystallite_output = ''
eMax = mesh_NcpElems allocate(crystallite_sizePostResults(material_Ncrystallite)) ; crystallite_sizePostResults = 0_pInt
nMax = mesh_maxNipNeighbors allocate(crystallite_sizePostResult(maxval(crystallite_Noutput), &
material_Ncrystallite)) ; crystallite_sizePostResult = 0_pInt
if(.not. IO_open_file(file,material_configFile)) call IO_error (100) ! corrupt config file
line = ''
section = 0
do while (IO_lc(IO_getTag(line,'<','>')) /= material_partCrystallite) ! wind forward to <crystallite>
read(file,'(a1024)',END=100) line
enddo
allocate(crystallite_Temperature(gMax,iMax,eMax)); crystallite_Temperature = Temperature do ! read thru sections of phase part
allocate(crystallite_P(3,3,gMax,iMax,eMax)); crystallite_P = 0.0_pReal read(file,'(a1024)',END=100) line
allocate(crystallite_Fe(3,3,gMax,iMax,eMax)); crystallite_Fe = 0.0_pReal if (IO_isBlank(line)) cycle ! skip empty lines
allocate(crystallite_Fp(3,3,gMax,iMax,eMax)); crystallite_Fp = 0.0_pReal if (IO_getTag(line,'<','>') /= '') exit ! stop at next part
allocate(crystallite_invFp(3,3,gMax,iMax,eMax)); crystallite_invFp = 0.0_pReal if (IO_getTag(line,'[',']') /= '') then ! next section
allocate(crystallite_Lp(3,3,gMax,iMax,eMax)); crystallite_Lp = 0.0_pReal section = section + 1
allocate(crystallite_Tstar_v(6,gMax,iMax,eMax)); crystallite_Tstar_v = 0.0_pReal output = 0 ! reset output counter
allocate(crystallite_F0(3,3,gMax,iMax,eMax)); crystallite_F0 = 0.0_pReal endif
allocate(crystallite_Fp0(3,3,gMax,iMax,eMax)); crystallite_Fp0 = 0.0_pReal if (section > 0) then
allocate(crystallite_Lp0(3,3,gMax,iMax,eMax)); crystallite_Lp0 = 0.0_pReal positions = IO_stringPos(line,maxNchunks)
allocate(crystallite_Tstar0_v(6,gMax,iMax,eMax)); crystallite_Tstar0_v = 0.0_pReal tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
allocate(crystallite_partionedTemperature0(gMax,iMax,eMax)); crystallite_partionedTemperature0 = 0.0_pReal select case(tag)
allocate(crystallite_partionedF(3,3,gMax,iMax,eMax)); crystallite_partionedF = 0.0_pReal case ('(output)')
allocate(crystallite_partionedF0(3,3,gMax,iMax,eMax)); crystallite_partionedF0 = 0.0_pReal output = output + 1
allocate(crystallite_partionedFp0(3,3,gMax,iMax,eMax)); crystallite_partionedFp0 = 0.0_pReal crystallite_output(output,section) = IO_lc(IO_stringValue(line,positions,2))
allocate(crystallite_partionedLp0(3,3,gMax,iMax,eMax)); crystallite_partionedLp0 = 0.0_pReal end select
allocate(crystallite_partionedTstar0_v(6,gMax,iMax,eMax)); crystallite_partionedTstar0_v = 0.0_pReal endif
allocate(crystallite_subTemperature0(gMax,iMax,eMax)); crystallite_subTemperature0 = 0.0_pReal enddo
allocate(crystallite_subF(3,3,gMax,iMax,eMax)); crystallite_subF = 0.0_pReal
allocate(crystallite_subF0(3,3,gMax,iMax,eMax)); crystallite_subF0 = 0.0_pReal
allocate(crystallite_subFp0(3,3,gMax,iMax,eMax)); crystallite_subFp0 = 0.0_pReal
allocate(crystallite_subLp0(3,3,gMax,iMax,eMax)); crystallite_subLp0 = 0.0_pReal
allocate(crystallite_R(3,3,gMax,iMax,eMax)); crystallite_R = 0.0_pReal
allocate(crystallite_eulerangles(3,gMax,iMax,eMax)); crystallite_eulerangles = 0.0_pReal
allocate(crystallite_misorientation(4,nMax,gMax,iMax,eMax)); crystallite_misorientation = 0.0_pReal
allocate(crystallite_subTstar0_v(6,gMax,iMax,eMax)); crystallite_subTstar0_v = 0.0_pReal
allocate(crystallite_dPdF(3,3,3,3,gMax,iMax,eMax)); crystallite_dPdF = 0.0_pReal
allocate(crystallite_fallbackdPdF(3,3,3,3,gMax,iMax,eMax)); crystallite_fallbackdPdF = 0.0_pReal
allocate(crystallite_dt(gMax,iMax,eMax)); crystallite_dt = 0.0_pReal
allocate(crystallite_subdt(gMax,iMax,eMax)); crystallite_subdt = 0.0_pReal
allocate(crystallite_subFrac(gMax,iMax,eMax)); crystallite_subFrac = 0.0_pReal
allocate(crystallite_subStep(gMax,iMax,eMax)); crystallite_subStep = 0.0_pReal
allocate(crystallite_localConstitution(gMax,iMax,eMax)); crystallite_localConstitution = .true.
allocate(crystallite_requested(gMax,iMax,eMax)); crystallite_requested = .false.
allocate(crystallite_converged(gMax,iMax,eMax)); crystallite_converged = .true.
allocate(crystallite_stateConverged(gMax,iMax,eMax)); crystallite_stateConverged = .false.
allocate(crystallite_temperatureConverged(gMax,iMax,eMax)); crystallite_temperatureConverged = .false.
allocate(crystallite_todo(gMax,iMax,eMax)); crystallite_todo = .true.
!$OMP PARALLEL DO 100 close(file)
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over all cp elements do i = 1,material_Ncrystallite ! sanity checks
myNgrains = homogenization_Ngrains(mesh_element(3,e)) enddo
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element
do g = 1,myNgrains do i = 1,material_Ncrystallite
crystallite_partionedTemperature0(g,i,e) = Temperature ! isothermal assumption do j = 1,crystallite_Noutput(i)
crystallite_Fp0(:,:,g,i,e) = math_EulerToR(material_EulerAngles(:,g,i,e)) ! plastic def gradient reflects init orientation select case(crystallite_output(j,i))
crystallite_Fe(:,:,g,i,e) = transpose(crystallite_Fp0(:,:,g,i,e)) case('phase')
crystallite_F0(:,:,g,i,e) = math_I3 mySize = 1
crystallite_partionedFp0(:,:,g,i,e) = crystallite_Fp0(:,:,g,i,e) case('volume')
crystallite_partionedF0(:,:,g,i,e) = crystallite_F0(:,:,g,i,e) mySize = 1
crystallite_partionedF(:,:,g,i,e) = crystallite_F0(:,:,g,i,e) case('orientation')
crystallite_requested(g,i,e) = .true. mySize = 3
crystallite_localConstitution(g,i,e) = phase_localConstitution(material_phase(g,i,e)) case('defgrad')
enddo mySize = 9
enddo case default
enddo mySize = 0
!$OMPEND PARALLEL DO end select
if (mySize > 0_pInt) then ! any meaningful output found
crystallite_sizePostResult(j,i) = mySize
crystallite_sizePostResults(i) = crystallite_sizePostResults(i) + mySize
endif
enddo
enddo
crystallite_maxSizePostResults = maxval(crystallite_sizePostResults)
! write description file for crystallite output
if(.not. IO_open_jobFile(file,'outputCrystallite')) call IO_error (50) ! problems in writing file
do p = 1,material_Ncrystallite
write(file,*)
write(file,'(a)') '['//trim(crystallite_name(p))//']'
write(file,*)
do e = 1,crystallite_Noutput(p)
write(file,'(a,i4)') trim(crystallite_output(e,p))//char(9),crystallite_sizePostResult(e,p)
enddo
enddo
close(file)
!$OMP PARALLEL DO
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over all cp elements
myNgrains = homogenization_Ngrains(mesh_element(3,e)) ! look up homogenization-->grainCount
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element
do g = 1,myNgrains
crystallite_partionedTemperature0(g,i,e) = Temperature ! isothermal assumption
crystallite_Fp0(:,:,g,i,e) = math_EulerToR(material_EulerAngles(:,g,i,e)) ! plastic def gradient reflects init orientation
crystallite_Fe(:,:,g,i,e) = transpose(crystallite_Fp0(:,:,g,i,e))
crystallite_F0(:,:,g,i,e) = math_I3
crystallite_partionedFp0(:,:,g,i,e) = crystallite_Fp0(:,:,g,i,e)
crystallite_partionedF0(:,:,g,i,e) = crystallite_F0(:,:,g,i,e)
crystallite_partionedF(:,:,g,i,e) = crystallite_F0(:,:,g,i,e)
crystallite_requested(g,i,e) = .true.
crystallite_localConstitution(g,i,e) = phase_localConstitution(material_phase(g,i,e))
enddo
enddo
enddo
!$OMPEND PARALLEL DO
call crystallite_orientations() call crystallite_orientations()
call crystallite_stressAndItsTangent(.true.) ! request elastic answers call crystallite_stressAndItsTangent(.true.) ! request elastic answers
@ -182,8 +267,6 @@ subroutine crystallite_init(Temperature)
write(6,*) '<<<+- crystallite init -+>>>' write(6,*) '<<<+- crystallite init -+>>>'
write(6,*) '$Id$' write(6,*) '$Id$'
write(6,*) write(6,*)
write(6,'(a35,x,7(i5,x))') 'crystallite_Nresults: ', crystallite_Nresults
write(6,*)
write(6,'(a35,x,7(i5,x))') 'crystallite_Temperature: ', shape(crystallite_Temperature) write(6,'(a35,x,7(i5,x))') 'crystallite_Temperature: ', shape(crystallite_Temperature)
write(6,'(a35,x,7(i5,x))') 'crystallite_Fe: ', shape(crystallite_Fe) write(6,'(a35,x,7(i5,x))') 'crystallite_Fe: ', shape(crystallite_Fe)
write(6,'(a35,x,7(i5,x))') 'crystallite_Fp: ', shape(crystallite_Fp) write(6,'(a35,x,7(i5,x))') 'crystallite_Fp: ', shape(crystallite_Fp)
@ -221,6 +304,8 @@ subroutine crystallite_init(Temperature)
write(6,'(a35,x,7(i5,x))') 'crystallite_converged: ', shape(crystallite_converged) write(6,'(a35,x,7(i5,x))') 'crystallite_converged: ', shape(crystallite_converged)
write(6,'(a35,x,7(i5,x))') 'crystallite_stateConverged: ', shape(crystallite_stateConverged) write(6,'(a35,x,7(i5,x))') 'crystallite_stateConverged: ', shape(crystallite_stateConverged)
write(6,'(a35,x,7(i5,x))') 'crystallite_temperatureConverged: ', shape(crystallite_temperatureConverged) write(6,'(a35,x,7(i5,x))') 'crystallite_temperatureConverged: ', shape(crystallite_temperatureConverged)
write(6,'(a35,x,7(i5,x))') 'crystallite_sizePostResults: ', shape(crystallite_sizePostResults)
write(6,'(a35,x,7(i5,x))') 'crystallite_sizePostResult: ', shape(crystallite_sizePostResult)
write(6,*) write(6,*)
write(6,*) 'Number of nonlocal grains: ',count(.not. crystallite_localConstitution) write(6,*) 'Number of nonlocal grains: ',count(.not. crystallite_localConstitution)
call flush(6) call flush(6)
@ -1505,7 +1590,10 @@ function crystallite_postResults(&
!*** variables and functions from other modules ***! !*** variables and functions from other modules ***!
use prec, only: pInt, & use prec, only: pInt, &
pReal pReal
use material, only: material_phase, & use mesh, only: mesh_element
use material, only: microstructure_crystallite, &
crystallite_Noutput, &
material_phase, &
material_volume material_volume
use constitutive, only: constitutive_sizePostResults, & use constitutive, only: constitutive_sizePostResults, &
constitutive_postResults constitutive_postResults
@ -1519,29 +1607,37 @@ function crystallite_postResults(&
real(pReal), intent(in):: dt ! time increment real(pReal), intent(in):: dt ! time increment
!*** output variables ***! !*** output variables ***!
real(pReal), dimension(1+crystallite_Nresults + 1+constitutive_sizePostResults(g,i,e)) :: crystallite_postResults real(pReal), dimension(1+crystallite_sizePostResults(microstructure_crystallite(mesh_element(4,e)))+ &
1+constitutive_sizePostResults(g,i,e)) :: crystallite_postResults
!*** local variables ***! !*** local variables ***!
real(pReal), dimension(3,3) :: U, R real(pReal), dimension(3,3) :: U, R
integer(pInt) k,l,c integer(pInt) k,l,o,c,crystID
logical error logical error
c = 0_pInt crystID = microstructure_crystallite(mesh_element(4,e))
crystallite_postResults(c+1) = crystallite_Nresults; c = c+1_pInt ! size of (hardwired) results
if (crystallite_Nresults >= 2) then crystallite_postResults = 0.0_pReal
crystallite_postResults(c+1) = material_phase(g,i,e) c = 0_pInt
crystallite_postResults(c+2) = material_volume(g,i,e) crystallite_postResults(c+1) = crystallite_sizePostResults(crystID); c = c+1_pInt ! size of results from cryst
c = c+2_pInt
endif
if (crystallite_Nresults >= 5) then
crystallite_postResults(c+1:c+3) = crystallite_eulerangles(:,g,i,e) ! grain orientation
c = c+3_pInt
endif
if (crystallite_Nresults >= 14) then ! deformation gradient 11,12,13,21,...
forall (k=0:2,l=0:2) crystallite_postResults(c+1+k*3+l) = crystallite_partionedF(k+1,l+1,g,i,e)
c = c+9_pInt
endif
do o = 1,crystallite_Noutput(crystID)
select case(crystallite_output(o,crystID))
case ('phase')
crystallite_postResults(c+1) = material_phase(g,i,e) ! phaseID of grain
c = c + 1_pInt
case ('volume')
crystallite_postResults(c+1) = material_volume(g,i,e) ! grain volume (not fraction but absolute, right?)
c = c + 1_pInt
case ('orientation')
crystallite_postResults(c+1:c+3) = crystallite_eulerangles(:,g,i,e) ! grain orientation
c = c + 3_pInt
case ('defgrad')
forall (k=0:2,l=0:2) crystallite_postResults(c+1+k*3+l) = crystallite_partionedF(k+1,l+1,g,i,e)
c = c+9_pInt
end select
enddo
crystallite_postResults(c+1) = constitutive_sizePostResults(g,i,e); c = c+1_pInt ! size of constitutive results crystallite_postResults(c+1) = constitutive_sizePostResults(g,i,e); c = c+1_pInt ! size of constitutive results
crystallite_postResults(c+1:c+constitutive_sizePostResults(g,i,e)) = & crystallite_postResults(c+1:c+constitutive_sizePostResults(g,i,e)) = &
constitutive_postResults(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, crystallite_Fp, & constitutive_postResults(crystallite_Tstar_v(:,g,i,e), crystallite_subTstar0_v(:,g,i,e), crystallite_Fe, crystallite_Fp, &

19
code/homogenization.f90
View File

@ -59,7 +59,7 @@ subroutine homogenization_init(Temperature)
use mesh, only: mesh_maxNips,mesh_NcpElems,mesh_element,FE_Nips use mesh, only: mesh_maxNips,mesh_NcpElems,mesh_element,FE_Nips
use material use material
use constitutive, only: constitutive_maxSizePostResults use constitutive, only: constitutive_maxSizePostResults
use crystallite, only: crystallite_Nresults use crystallite, only: crystallite_maxSizePostResults
use homogenization_isostrain use homogenization_isostrain
use homogenization_RGC ! RGC homogenization added <<<updated 31.07.2009>>> use homogenization_RGC ! RGC homogenization added <<<updated 31.07.2009>>>
@ -99,7 +99,8 @@ subroutine homogenization_init(Temperature)
write(fileunit,'(a)') '['//trim(homogenization_name(p))//']' write(fileunit,'(a)') '['//trim(homogenization_name(p))//']'
write(fileunit,*) write(fileunit,*)
if (knownHomogenization) then if (knownHomogenization) then
write(fileunit,'(a)') '#'//char(9)//'homogenization'//char(9)//trim(homogenization_type(p)) write(fileunit,'(a)') '(type)'//char(9)//trim(homogenization_type(p))
write(fileunit,'(a,i)') '(ngrains)'//char(9),homogenization_Ngrains(p)
do e = 1,homogenization_Noutput(p) do e = 1,homogenization_Noutput(p)
write(fileunit,'(a,i4)') trim(thisOutput(e,i))//char(9),thisSize(e,i) write(fileunit,'(a,i4)') trim(thisOutput(e,i))//char(9),thisSize(e,i)
enddo enddo
@ -168,8 +169,9 @@ subroutine homogenization_init(Temperature)
homogenization_maxSizePostResults = maxval(homogenization_sizePostResults) homogenization_maxSizePostResults = maxval(homogenization_sizePostResults)
materialpoint_sizeResults = 1+ 1+homogenization_maxSizePostResults + & ! grain count, homogSize, homogResult materialpoint_sizeResults = 1+ 1+homogenization_maxSizePostResults + & ! grain count, homogSize, homogResult
homogenization_maxNgrains*(1+crystallite_Nresults+1+constitutive_maxSizePostResults) homogenization_maxNgrains*(1+crystallite_maxSizePostResults+ & ! results count, cryst results
allocate(materialpoint_results( materialpoint_sizeResults, mesh_maxNips,mesh_NcpElems)) 1+constitutive_maxSizePostResults) ! results count, constitutive results
allocate(materialpoint_results(materialpoint_sizeResults, mesh_maxNips,mesh_NcpElems))
! *** Output to MARC output file *** ! *** Output to MARC output file ***
@ -505,17 +507,18 @@ subroutine materialpoint_postResults(dt)
use FEsolving, only: FEsolving_execElem, FEsolving_execIP use FEsolving, only: FEsolving_execElem, FEsolving_execIP
use mesh, only: mesh_element use mesh, only: mesh_element
use material, only: homogenization_Ngrains use material, only: homogenization_Ngrains, microstructure_crystallite
use constitutive, only: constitutive_sizePostResults, constitutive_postResults use constitutive, only: constitutive_sizePostResults, constitutive_postResults
use crystallite, only: crystallite_Nresults, crystallite_postResults use crystallite, only: crystallite_sizePostResults, crystallite_postResults
implicit none implicit none
real(pReal), intent(in) :: dt real(pReal), intent(in) :: dt
integer(pInt) g,i,e,c,d,myNgrains integer(pInt) g,i,e,c,d,myNgrains,myCrystallite
!$OMP PARALLEL DO !$OMP PARALLEL DO
do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
myNgrains = homogenization_Ngrains(mesh_element(3,e)) myNgrains = homogenization_Ngrains(mesh_element(3,e))
myCrystallite = microstructure_crystallite(mesh_element(4,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e) ! iterate over IPs of this element to be processed
c = 0_pInt c = 0_pInt
materialpoint_results(c+1,i,e) = myNgrains; c = c+1_pInt ! tell number of grains at materialpoint materialpoint_results(c+1,i,e) = myNgrains; c = c+1_pInt ! tell number of grains at materialpoint
@ -526,7 +529,7 @@ subroutine materialpoint_postResults(dt)
homogenization_postResults(i,e); c = c+d homogenization_postResults(i,e); c = c+d
endif endif
do g = 1,myNgrains ! loop over all grains do g = 1,myNgrains ! loop over all grains
d = 1+crystallite_Nresults + 1+constitutive_sizePostResults(g,i,e) d = 1+crystallite_sizePostResults(myCrystallite) + 1+constitutive_sizePostResults(g,i,e)
materialpoint_results(c+1:c+d,i,e) = & ! tell crystallite results materialpoint_results(c+1:c+d,i,e) = & ! tell crystallite results
crystallite_postResults(dt,g,i,e); c = c+d crystallite_postResults(dt,g,i,e); c = c+d
enddo enddo

640
code/homogenization_isostrain.f90
View File

@ -1,320 +1,320 @@
!* $Id$ !* $Id$
!***************************************************** !*****************************************************
!* Module: HOMOGENIZATION_ISOSTRAIN * !* Module: HOMOGENIZATION_ISOSTRAIN *
!***************************************************** !*****************************************************
!* contains: * !* contains: *
!***************************************************** !*****************************************************
! [isostrain] ! [isostrain]
! type isostrain ! type isostrain
! Ngrains 6 ! Ngrains 6
! (output) Ngrains ! (output) Ngrains
MODULE homogenization_isostrain MODULE homogenization_isostrain
!*** Include other modules *** !*** Include other modules ***
use prec, only: pReal,pInt use prec, only: pReal,pInt
implicit none implicit none
character (len=*), parameter :: homogenization_isostrain_label = 'isostrain' character (len=*), parameter :: homogenization_isostrain_label = 'isostrain'
integer(pInt), dimension(:), allocatable :: homogenization_isostrain_sizeState, & integer(pInt), dimension(:), allocatable :: homogenization_isostrain_sizeState, &
homogenization_isostrain_Ngrains homogenization_isostrain_Ngrains
integer(pInt), dimension(:), allocatable :: homogenization_isostrain_sizePostResults integer(pInt), dimension(:), allocatable :: homogenization_isostrain_sizePostResults
integer(pInt), dimension(:,:), allocatable,target :: homogenization_isostrain_sizePostResult integer(pInt), dimension(:,:), allocatable,target :: homogenization_isostrain_sizePostResult
character(len=64), dimension(:,:), allocatable,target :: homogenization_isostrain_output ! name of each post result output character(len=64), dimension(:,:), allocatable,target :: homogenization_isostrain_output ! name of each post result output
CONTAINS CONTAINS
!**************************************** !****************************************
!* - homogenization_isostrain_init !* - homogenization_isostrain_init
!* - homogenization_isostrain_stateInit !* - homogenization_isostrain_stateInit
!* - homogenization_isostrain_deformationPartititon !* - homogenization_isostrain_deformationPartititon
!* - homogenization_isostrain_stateUpdate !* - homogenization_isostrain_stateUpdate
!* - homogenization_isostrain_averageStressAndItsTangent !* - homogenization_isostrain_averageStressAndItsTangent
!* - homogenization_isostrain_postResults !* - homogenization_isostrain_postResults
!**************************************** !****************************************
!************************************** !**************************************
!* Module initialization * !* Module initialization *
!************************************** !**************************************
subroutine homogenization_isostrain_init(& subroutine homogenization_isostrain_init(&
file & ! file pointer to material configuration file & ! file pointer to material configuration
) )
use prec, only: pInt, pReal use prec, only: pInt, pReal
use math, only: math_Mandel3333to66, math_Voigt66to3333 use math, only: math_Mandel3333to66, math_Voigt66to3333
use IO use IO
use material use material
integer(pInt), intent(in) :: file integer(pInt), intent(in) :: file
integer(pInt), parameter :: maxNchunks = 2 integer(pInt), parameter :: maxNchunks = 2
integer(pInt), dimension(1+2*maxNchunks) :: positions integer(pInt), dimension(1+2*maxNchunks) :: positions
integer(pInt) section, maxNinstance, i,j,k,l, output, mySize integer(pInt) section, maxNinstance, i,j,k,l, output, mySize
character(len=64) tag character(len=64) tag
character(len=1024) line character(len=1024) line
write(6,*) write(6,*)
write(6,'(a20,a20,a12)') '<<<+- homogenization',homogenization_isostrain_label,' init -+>>>' write(6,'(a20,a20,a12)') '<<<+- homogenization',homogenization_isostrain_label,' init -+>>>'
write(6,*) '$Id$' write(6,*) '$Id$'
write(6,*) write(6,*)
maxNinstance = count(homogenization_type == homogenization_isostrain_label) maxNinstance = count(homogenization_type == homogenization_isostrain_label)
if (maxNinstance == 0) return if (maxNinstance == 0) return
allocate(homogenization_isostrain_sizeState(maxNinstance)) ; homogenization_isostrain_sizeState = 0_pInt allocate(homogenization_isostrain_sizeState(maxNinstance)) ; homogenization_isostrain_sizeState = 0_pInt
allocate(homogenization_isostrain_sizePostResults(maxNinstance)); homogenization_isostrain_sizePostResults = 0_pInt allocate(homogenization_isostrain_sizePostResults(maxNinstance)); homogenization_isostrain_sizePostResults = 0_pInt
allocate(homogenization_isostrain_sizePostResult(maxval(homogenization_Noutput), & allocate(homogenization_isostrain_sizePostResult(maxval(homogenization_Noutput), &
maxNinstance)); homogenization_isostrain_sizePostResult = 0_pInt maxNinstance)); homogenization_isostrain_sizePostResult = 0_pInt
allocate(homogenization_isostrain_Ngrains(maxNinstance)); homogenization_isostrain_Ngrains = 0_pInt allocate(homogenization_isostrain_Ngrains(maxNinstance)); homogenization_isostrain_Ngrains = 0_pInt
allocate(homogenization_isostrain_output(maxval(homogenization_Noutput), & allocate(homogenization_isostrain_output(maxval(homogenization_Noutput), &
maxNinstance)) ; homogenization_isostrain_output = '' maxNinstance)) ; homogenization_isostrain_output = ''
rewind(file) rewind(file)
line = '' line = ''
section = 0 section = 0
do while (IO_lc(IO_getTag(line,'<','>')) /= material_partHomogenization) ! wind forward to <homogenization> do while (IO_lc(IO_getTag(line,'<','>')) /= material_partHomogenization) ! wind forward to <homogenization>
read(file,'(a1024)',END=100) line read(file,'(a1024)',END=100) line
enddo enddo
do ! read thru sections of phase part do ! read thru sections of phase part
read(file,'(a1024)',END=100) line read(file,'(a1024)',END=100) line
if (IO_isBlank(line)) cycle ! skip empty lines if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') exit ! stop at next part if (IO_getTag(line,'<','>') /= '') exit ! stop at next part
if (IO_getTag(line,'[',']') /= '') then ! next section if (IO_getTag(line,'[',']') /= '') then ! next section
section = section + 1 section = section + 1
output = 0 ! reset output counter output = 0 ! reset output counter
endif endif
if (section > 0 .and. homogenization_type(section) == homogenization_isostrain_label) then ! one of my sections if (section > 0 .and. homogenization_type(section) == homogenization_isostrain_label) then ! one of my sections
i = homogenization_typeInstance(section) ! which instance of my type is present homogenization i = homogenization_typeInstance(section) ! which instance of my type is present homogenization
positions = IO_stringPos(line,maxNchunks) positions = IO_stringPos(line,maxNchunks)
tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
select case(tag) select case(tag)
case ('(output)') case ('(output)')
output = output + 1 output = output + 1
homogenization_isostrain_output(output,i) = IO_lc(IO_stringValue(line,positions,2)) homogenization_isostrain_output(output,i) = IO_lc(IO_stringValue(line,positions,2))
case ('ngrains') case ('ngrains')
homogenization_isostrain_Ngrains(i) = IO_intValue(line,positions,2) homogenization_isostrain_Ngrains(i) = IO_intValue(line,positions,2)
end select end select
endif endif
enddo enddo
100 do i = 1,maxNinstance ! sanity checks 100 do i = 1,maxNinstance ! sanity checks
enddo enddo
do i = 1,maxNinstance do i = 1,maxNinstance
homogenization_isostrain_sizeState(i) = 0_pInt homogenization_isostrain_sizeState(i) = 0_pInt
do j = 1,maxval(homogenization_Noutput) do j = 1,maxval(homogenization_Noutput)
select case(homogenization_isostrain_output(j,i)) select case(homogenization_isostrain_output(j,i))
case('ngrains') case('ngrains')
mySize = 1 mySize = 1
case default case default
mySize = 0 mySize = 0
end select end select
if (mySize > 0_pInt) then ! any meaningful output found if (mySize > 0_pInt) then ! any meaningful output found
homogenization_isostrain_sizePostResult(j,i) = mySize homogenization_isostrain_sizePostResult(j,i) = mySize
homogenization_isostrain_sizePostResults(i) = & homogenization_isostrain_sizePostResults(i) = &
homogenization_isostrain_sizePostResults(i) + mySize homogenization_isostrain_sizePostResults(i) + mySize
endif endif
enddo enddo
enddo enddo
return return
endsubroutine endsubroutine
!********************************************************************* !*********************************************************************
!* initial homogenization state * !* initial homogenization state *
!********************************************************************* !*********************************************************************
function homogenization_isostrain_stateInit(myInstance) function homogenization_isostrain_stateInit(myInstance)
use prec, only: pReal,pInt use prec, only: pReal,pInt
implicit none implicit none
!* Definition of variables !* Definition of variables
integer(pInt), intent(in) :: myInstance integer(pInt), intent(in) :: myInstance
real(pReal), dimension(homogenization_isostrain_sizeState(myInstance)) :: & real(pReal), dimension(homogenization_isostrain_sizeState(myInstance)) :: &
homogenization_isostrain_stateInit ! modified <<<updated 31.07.2009>>> homogenization_isostrain_stateInit ! modified <<<updated 31.07.2009>>>
homogenization_isostrain_stateInit = 0.0_pReal homogenization_isostrain_stateInit = 0.0_pReal
return return
endfunction endfunction
!******************************************************************** !********************************************************************
! partition material point def grad onto constituents ! partition material point def grad onto constituents
!******************************************************************** !********************************************************************
subroutine homogenization_isostrain_partitionDeformation(& subroutine homogenization_isostrain_partitionDeformation(&
F, & ! partioned def grad per grain F, & ! partioned def grad per grain
! !
F0, & ! initial partioned def grad per grain F0, & ! initial partioned def grad per grain
avgF, & ! my average def grad avgF, & ! my average def grad
state, & ! my state state, & ! my state
ip, & ! my integration point ip, & ! my integration point
el & ! my element el & ! my element
) )
use prec, only: pReal,pInt,p_vec use prec, only: pReal,pInt,p_vec
use mesh, only: mesh_element,mesh_NcpElems,mesh_maxNips use mesh, only: mesh_element,mesh_NcpElems,mesh_maxNips
use material, only: homogenization_maxNgrains,homogenization_Ngrains use material, only: homogenization_maxNgrains,homogenization_Ngrains
implicit none implicit none
!* Definition of variables !* Definition of variables
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(out) :: F real(pReal), dimension (3,3,homogenization_maxNgrains), intent(out) :: F
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: F0 real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: F0
real(pReal), dimension (3,3), intent(in) :: avgF real(pReal), dimension (3,3), intent(in) :: avgF
type(p_vec), intent(in) :: state type(p_vec), intent(in) :: state
integer(pInt), intent(in) :: ip,el integer(pInt), intent(in) :: ip,el
integer(pInt) homID, i integer(pInt) homID, i
! homID = homogenization_typeInstance(mesh_element(3,el)) ! homID = homogenization_typeInstance(mesh_element(3,el))
forall (i = 1:homogenization_Ngrains(mesh_element(3,el))) & forall (i = 1:homogenization_Ngrains(mesh_element(3,el))) &
F(:,:,i) = avgF F(:,:,i) = avgF
return return
endsubroutine endsubroutine
!******************************************************************** !********************************************************************
! update the internal state of the homogenization scheme ! update the internal state of the homogenization scheme
! and tell whether "done" and "happy" with result ! and tell whether "done" and "happy" with result
!******************************************************************** !********************************************************************
function homogenization_isostrain_updateState(& function homogenization_isostrain_updateState(&
state, & ! my state state, & ! my state
! !
P, & ! array of current grain stresses P, & ! array of current grain stresses
dPdF, & ! array of current grain stiffnesses dPdF, & ! array of current grain stiffnesses
ip, & ! my integration point ip, & ! my integration point
el & ! my element el & ! my element
) )
use prec, only: pReal,pInt,p_vec use prec, only: pReal,pInt,p_vec
use mesh, only: mesh_element,mesh_NcpElems,mesh_maxNips use mesh, only: mesh_element,mesh_NcpElems,mesh_maxNips
use material, only: homogenization_maxNgrains use material, only: homogenization_maxNgrains
implicit none implicit none
!* Definition of variables !* Definition of variables
type(p_vec), intent(inout) :: state type(p_vec), intent(inout) :: state
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: P real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: P
real(pReal), dimension (3,3,3,3,homogenization_maxNgrains), intent(in) :: dPdF real(pReal), dimension (3,3,3,3,homogenization_maxNgrains), intent(in) :: dPdF
integer(pInt), intent(in) :: ip,el integer(pInt), intent(in) :: ip,el
! integer(pInt) homID ! integer(pInt) homID
logical, dimension(2) :: homogenization_isostrain_updateState logical, dimension(2) :: homogenization_isostrain_updateState
! homID = homogenization_typeInstance(mesh_element(3,el)) ! homID = homogenization_typeInstance(mesh_element(3,el))
homogenization_isostrain_updateState = .true. ! homogenization at material point converged (done and happy) homogenization_isostrain_updateState = .true. ! homogenization at material point converged (done and happy)
return return
endfunction endfunction
!******************************************************************** !********************************************************************
! derive average stress and stiffness from constituent quantities ! derive average stress and stiffness from constituent quantities
!******************************************************************** !********************************************************************
subroutine homogenization_isostrain_averageStressAndItsTangent(& subroutine homogenization_isostrain_averageStressAndItsTangent(&
avgP, & ! average stress at material point avgP, & ! average stress at material point
dAvgPdAvgF, & ! average stiffness at material point dAvgPdAvgF, & ! average stiffness at material point
! !
P, & ! array of current grain stresses P, & ! array of current grain stresses
dPdF, & ! array of current grain stiffnesses dPdF, & ! array of current grain stiffnesses
ip, & ! my integration point ip, & ! my integration point
el & ! my element el & ! my element
) )
use prec, only: pReal,pInt,p_vec use prec, only: pReal,pInt,p_vec
use mesh, only: mesh_element,mesh_NcpElems,mesh_maxNips use mesh, only: mesh_element,mesh_NcpElems,mesh_maxNips
use material, only: homogenization_maxNgrains, homogenization_Ngrains use material, only: homogenization_maxNgrains, homogenization_Ngrains
implicit none implicit none
!* Definition of variables !* Definition of variables
real(pReal), dimension (3,3), intent(out) :: avgP real(pReal), dimension (3,3), intent(out) :: avgP
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF
real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: P real(pReal), dimension (3,3,homogenization_maxNgrains), intent(in) :: P
real(pReal), dimension (3,3,3,3,homogenization_maxNgrains), intent(in) :: dPdF real(pReal), dimension (3,3,3,3,homogenization_maxNgrains), intent(in) :: dPdF
integer(pInt), intent(in) :: ip,el integer(pInt), intent(in) :: ip,el
logical homogenization_isostrain_stateUpdate logical homogenization_isostrain_stateUpdate
integer(pInt) homID, i, Ngrains integer(pInt) homID, i, Ngrains
! homID = homogenization_typeInstance(mesh_element(3,el)) ! homID = homogenization_typeInstance(mesh_element(3,el))
Ngrains = homogenization_Ngrains(mesh_element(3,el)) Ngrains = homogenization_Ngrains(mesh_element(3,el))
avgP = sum(P,3)/dble(Ngrains) avgP = sum(P,3)/dble(Ngrains)
dAvgPdAvgF = sum(dPdF,5)/dble(Ngrains) dAvgPdAvgF = sum(dPdF,5)/dble(Ngrains)
return return
endsubroutine endsubroutine
!******************************************************************** !********************************************************************
! derive average stress and stiffness from constituent quantities ! derive average stress and stiffness from constituent quantities
!******************************************************************** !********************************************************************
function homogenization_isostrain_averageTemperature(& function homogenization_isostrain_averageTemperature(&
Temperature, & ! temperature Temperature, & ! temperature
ip, & ! my integration point ip, & ! my integration point
el & ! my element el & ! my element
) )
use prec, only: pReal,pInt,p_vec use prec, only: pReal,pInt,p_vec
use mesh, only: mesh_element,mesh_NcpElems,mesh_maxNips use mesh, only: mesh_element,mesh_NcpElems,mesh_maxNips
use material, only: homogenization_maxNgrains, homogenization_Ngrains use material, only: homogenization_maxNgrains, homogenization_Ngrains
implicit none implicit none
!* Definition of variables !* Definition of variables
real(pReal), dimension (homogenization_maxNgrains), intent(in) :: Temperature real(pReal), dimension (homogenization_maxNgrains), intent(in) :: Temperature
integer(pInt), intent(in) :: ip,el integer(pInt), intent(in) :: ip,el
real(pReal) homogenization_isostrain_averageTemperature real(pReal) homogenization_isostrain_averageTemperature
integer(pInt) homID, i, Ngrains integer(pInt) homID, i, Ngrains
! homID = homogenization_typeInstance(mesh_element(3,el)) ! homID = homogenization_typeInstance(mesh_element(3,el))
Ngrains = homogenization_Ngrains(mesh_element(3,el)) Ngrains = homogenization_Ngrains(mesh_element(3,el))
homogenization_isostrain_averageTemperature = sum(Temperature(1:Ngrains))/dble(Ngrains) homogenization_isostrain_averageTemperature = sum(Temperature(1:Ngrains))/dble(Ngrains)
return return
endfunction endfunction
!******************************************************************** !********************************************************************
! return array of homogenization results for post file inclusion ! return array of homogenization results for post file inclusion
!******************************************************************** !********************************************************************
pure function homogenization_isostrain_postResults(& pure function homogenization_isostrain_postResults(&
state, & ! my state state, & ! my state
ip, & ! my integration point ip, & ! my integration point
el & ! my element el & ! my element
) )
use prec, only: pReal,pInt,p_vec use prec, only: pReal,pInt,p_vec
use mesh, only: mesh_element use mesh, only: mesh_element
use material, only: homogenization_typeInstance,homogenization_Noutput use material, only: homogenization_typeInstance,homogenization_Noutput
implicit none implicit none
!* Definition of variables !* Definition of variables
type(p_vec), intent(in) :: state type(p_vec), intent(in) :: state
integer(pInt), intent(in) :: ip,el integer(pInt), intent(in) :: ip,el
integer(pInt) homID,o,c integer(pInt) homID,o,c
real(pReal), dimension(homogenization_isostrain_sizePostResults(homogenization_typeInstance(mesh_element(3,el)))) :: & real(pReal), dimension(homogenization_isostrain_sizePostResults(homogenization_typeInstance(mesh_element(3,el)))) :: &
homogenization_isostrain_postResults homogenization_isostrain_postResults
homID = homogenization_typeInstance(mesh_element(3,el)) homID = homogenization_typeInstance(mesh_element(3,el))
c = 0_pInt c = 0_pInt
homogenization_isostrain_postResults = 0.0_pReal homogenization_isostrain_postResults = 0.0_pReal
do o = 1,homogenization_Noutput(mesh_element(3,el)) do o = 1,homogenization_Noutput(mesh_element(3,el))
select case(homogenization_isostrain_output(o,homID)) select case(homogenization_isostrain_output(o,homID))
case ('ngrains') case ('ngrains')
homogenization_isostrain_postResults(c+1) = homogenization_isostrain_Ngrains(homID) homogenization_isostrain_postResults(c+1) = homogenization_isostrain_Ngrains(homID)
c = c + 1 c = c + 1
end select end select
enddo enddo
return return
endfunction endfunction
END MODULE END MODULE

39
code/material.config
View File

@ -1,8 +1,17 @@
##################### #####################
# $Id$ # $Id$
##################### #####################
#-------------------#
<global>
#-------------------#
[crystallite]
results 14
#-------------------#
<homogenization> <homogenization>
##################### #-------------------#
[SX] [SX]
type isostrain type isostrain
@ -23,28 +32,42 @@ overproportionality 1.0e+1 1.0e+1 1.0e+1 # typical range between 0.1 (very lar
type isostrain type isostrain
Ngrains 2 Ngrains 2
##################### #-------------------#
<microstructure> <microstructure>
##################### #-------------------#
[Aluminum_Poly] [Aluminum_Poly]
/elementhomogeneous/ # put this flag to set ips identical in one element (something like reduced integration) /elementhomogeneous/ # put this flag to set ips identical in one element (something like reduced integration)
crystallite 1
(constituent) phase 3 texture 1 fraction 1.0 (constituent) phase 3 texture 1 fraction 1.0
[Aluminum_001] [Aluminum_001]
crystallite 1
(constituent) phase 3 texture 2 fraction 1.0 (constituent) phase 3 texture 2 fraction 1.0
[Aluminum_j2] [Aluminum_j2]
crystallite 1
(constituent) phase 1 texture 1 fraction 1.0 (constituent) phase 1 texture 1 fraction 1.0
[DP_Steel] [DP_Steel]
/elementhomogeneous/ /elementhomogeneous/
(constituent) phase 1 texture 1 fraction 0.82 crystallite 1
(constituent) phase 1 texture 1 fraction 0.82
(constituent) phase 2 texture 1 fraction 0.18 (constituent) phase 2 texture 1 fraction 0.18
##################### #-------------------#
<crystallite>
#-------------------#
[all]
(output) phase
(output) volume
(output) orientation
(output) defgrad
#-------------------#
<phase> <phase>
##################### #-------------------#
[Aluminum_J2isotropic] [Aluminum_J2isotropic]
@ -320,9 +343,9 @@ Cthresholdtwin 1.0 # Adj. parameter controlling slip threshold stress
interactionSlipTwin 0.0 1.0 # Dislocation interaction coefficients interactionSlipTwin 0.0 1.0 # Dislocation interaction coefficients
interactionTwinTwin 0.0 1.0 # Dislocation interaction coefficients interactionTwinTwin 0.0 1.0 # Dislocation interaction coefficients
##################### #-------------------#
<texture> <texture>
##################### #-------------------#
[Rolling] [Rolling]
hybridIA DP_EBSD.linearODF hybridIA DP_EBSD.linearODF

80
code/material.f90
View File

@ -15,6 +15,7 @@ implicit none
character(len=64), parameter :: material_configFile = 'material.config' character(len=64), parameter :: material_configFile = 'material.config'
character(len=32), parameter :: material_partHomogenization = 'homogenization' character(len=32), parameter :: material_partHomogenization = 'homogenization'
character(len=32), parameter :: material_partMicrostructure = 'microstructure' character(len=32), parameter :: material_partMicrostructure = 'microstructure'
character(len=32), parameter :: material_partCrystallite = 'crystallite'
character(len=32), parameter :: material_partPhase = 'phase' character(len=32), parameter :: material_partPhase = 'phase'
character(len=32), parameter :: material_partTexture = 'texture' character(len=32), parameter :: material_partTexture = 'texture'
@ -25,6 +26,7 @@ character(len=32), parameter :: material_partTexture = 'texture'
!* Number of materials !* Number of materials
integer(pInt) material_Nhomogenization, & ! number of homogenizations integer(pInt) material_Nhomogenization, & ! number of homogenizations
material_Nmicrostructure, & ! number of microstructures material_Nmicrostructure, & ! number of microstructures
material_Ncrystallite, & ! number of crystallite settings
material_Nphase, & ! number of phases material_Nphase, & ! number of phases
material_Ntexture, & ! number of textures material_Ntexture, & ! number of textures
microstructure_maxNconstituents, & ! max number of constituents in any phase microstructure_maxNconstituents, & ! max number of constituents in any phase
@ -34,6 +36,7 @@ integer(pInt) material_Nhomogenization, &
character(len=64), dimension(:), allocatable :: homogenization_name, & ! name of each homogenization character(len=64), dimension(:), allocatable :: homogenization_name, & ! name of each homogenization
homogenization_type, & ! type of each homogenization homogenization_type, & ! type of each homogenization
microstructure_name, & ! name of each microstructure microstructure_name, & ! name of each microstructure
crystallite_name, & ! name of each crystallite setting
phase_name, & ! name of each phase phase_name, & ! name of each phase
phase_constitution, & ! constitution of each phase phase_constitution, & ! constitution of each phase
texture_name ! name of each texture texture_name ! name of each texture
@ -42,6 +45,7 @@ integer(pInt), dimension(:), allocatable :: homogenization_Ngrains, &
homogenization_typeInstance, & ! instance of particular type of each homogenization homogenization_typeInstance, & ! instance of particular type of each homogenization
homogenization_Noutput, & ! number of '(output)' items per homogenization homogenization_Noutput, & ! number of '(output)' items per homogenization
microstructure_Nconstituents, & ! number of constituents in each microstructure microstructure_Nconstituents, & ! number of constituents in each microstructure
crystallite_Noutput, & ! number of '(output)' items per crystallite setting
phase_constitutionInstance, & ! instance of particular constitution of each phase phase_constitutionInstance, & ! instance of particular constitution of each phase
phase_Noutput, & ! number of '(output)' items per phase phase_Noutput, & ! number of '(output)' items per phase
texture_symmetry, & ! number of symmetric orientations per texture texture_symmetry, & ! number of symmetric orientations per texture
@ -51,6 +55,7 @@ logical, dimension(:), allocatable :: homogenization_active, &
microstructure_active, & ! microstructure_active, & !
microstructure_elemhomo, & ! flag to indicate homogeneous microstructure distribution over element's IPs microstructure_elemhomo, & ! flag to indicate homogeneous microstructure distribution over element's IPs
phase_localConstitution ! flags phases with local constitutive law phase_localConstitution ! flags phases with local constitutive law
integer(pInt), dimension(:), allocatable :: microstructure_crystallite ! crystallite setting ID of each microstructure
integer(pInt), dimension(:,:), allocatable :: microstructure_phase, & ! phase IDs of each microstructure integer(pInt), dimension(:,:), allocatable :: microstructure_phase, & ! phase IDs of each microstructure
microstructure_texture ! texture IDs of each microstructure microstructure_texture ! texture IDs of each microstructure
real(pReal), dimension(:,:), allocatable :: microstructure_fraction ! vol fraction of each constituent in microstructure real(pReal), dimension(:,:), allocatable :: microstructure_fraction ! vol fraction of each constituent in microstructure
@ -84,13 +89,20 @@ subroutine material_init()
if(.not. IO_open_file(fileunit,material_configFile)) call IO_error(100) ! cannot open config file if(.not. IO_open_file(fileunit,material_configFile)) call IO_error(100) ! cannot open config file
call material_parseHomogenization(fileunit,material_partHomogenization) call material_parseHomogenization(fileunit,material_partHomogenization)
call material_parseMicrostructure(fileunit,material_partMicrostructure) call material_parseMicrostructure(fileunit,material_partMicrostructure)
call material_parseCrystallite(fileunit,material_partCrystallite)
call material_parseTexture(fileunit,material_partTexture) call material_parseTexture(fileunit,material_partTexture)
call material_parsePhase(fileunit,material_partPhase) call material_parsePhase(fileunit,material_partPhase)
close(fileunit) close(fileunit)
write(6,*) '<<<+- done -+>>>'; call flush(6)
write(6,*) 'material_Nmicrostructure',material_Nmicrostructure
write(6,*) 'microstructure_crystallite',microstructure_crystallite
write(6,*) 'material_Ncrystallite',material_Ncrystallite
do i = 1,material_Nmicrostructure do i = 1,material_Nmicrostructure
if (microstructure_crystallite(i) < 1 .or. &
microstructure_crystallite(i) > material_Ncrystallite) call IO_error(150,i)
if (minval(microstructure_phase(1:microstructure_Nconstituents(i),i)) < 1 .or. & if (minval(microstructure_phase(1:microstructure_Nconstituents(i),i)) < 1 .or. &
maxval(microstructure_phase(1:microstructure_Nconstituents(i),i)) > material_Nphase) call IO_error(150,i) maxval(microstructure_phase(1:microstructure_Nconstituents(i),i)) > material_Nphase) call IO_error(155,i)
if (minval(microstructure_texture(1:microstructure_Nconstituents(i),i)) < 1 .or. & if (minval(microstructure_texture(1:microstructure_Nconstituents(i),i)) < 1 .or. &
maxval(microstructure_texture(1:microstructure_Nconstituents(i),i)) > material_Ntexture) call IO_error(160,i) maxval(microstructure_texture(1:microstructure_Nconstituents(i),i)) > material_Ntexture) call IO_error(160,i)
if (abs(sum(microstructure_fraction(:,i)) - 1.0_pReal) >= 1.0e-10_pReal) then if (abs(sum(microstructure_fraction(:,i)) - 1.0_pReal) >= 1.0e-10_pReal) then
@ -106,9 +118,12 @@ subroutine material_init()
write (6,'(x,a32,x,a16,x,i4)') homogenization_name(i),homogenization_type(i),homogenization_Ngrains(i) write (6,'(x,a32,x,a16,x,i4)') homogenization_name(i),homogenization_type(i),homogenization_Ngrains(i)
enddo enddo
write (6,*) write (6,*)
write (6,'(a32,x,a12,x,a13)') 'microstructure ','constituents','homogeneous' write (6,'(a32,x,a11,x,a12,x,a13)') 'microstructure ','crystallite','constituents','homogeneous'
do i = 1,material_Nmicrostructure do i = 1,material_Nmicrostructure
write (6,'(a32,4x,i4,8x,l)') microstructure_name(i),microstructure_Nconstituents(i),microstructure_elemhomo(i) write (6,'(a32,4x,i4,8x,i4,8x,l)') microstructure_name(i), &
microstructure_crystallite(i), &
microstructure_Nconstituents(i), &
microstructure_elemhomo(i)
if (microstructure_Nconstituents(i) > 0_pInt) then if (microstructure_Nconstituents(i) > 0_pInt) then
do j = 1,microstructure_Nconstituents(i) do j = 1,microstructure_Nconstituents(i)
write (6,'(a1,x,a32,x,a32,x,f6.4)') '>',phase_name(microstructure_phase(j,i)),& write (6,'(a1,x,a32,x,a32,x,f6.4)') '>',phase_name(microstructure_phase(j,i)),&
@ -143,6 +158,7 @@ subroutine material_parseHomogenization(file,myPart)
Nsections = IO_countSections(file,myPart) Nsections = IO_countSections(file,myPart)
material_Nhomogenization = Nsections material_Nhomogenization = Nsections
if (Nsections < 1_pInt) call IO_error(125,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 = ''
@ -211,7 +227,10 @@ subroutine material_parseMicrostructure(file,myPart)
Nsections = IO_countSections(file,myPart) Nsections = IO_countSections(file,myPart)
material_Nmicrostructure = Nsections material_Nmicrostructure = Nsections
allocate(microstructure_name(Nsections)); microstructure_name = '' if (Nsections < 1_pInt) call IO_error(125,ext_msg=myPart)
allocate(microstructure_name(Nsections)); microstructure_name = ''
allocate(microstructure_crystallite(Nsections)); microstructure_crystallite = 0_pInt
allocate(microstructure_Nconstituents(Nsections)) allocate(microstructure_Nconstituents(Nsections))
allocate(microstructure_active(Nsections)) allocate(microstructure_active(Nsections))
allocate(microstructure_elemhomo(Nsections)) allocate(microstructure_elemhomo(Nsections))
@ -247,6 +266,8 @@ subroutine material_parseMicrostructure(file,myPart)
positions = IO_stringPos(line,maxNchunks) positions = IO_stringPos(line,maxNchunks)
tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key tag = IO_lc(IO_stringValue(line,positions,1)) ! extract key
select case(tag) select case(tag)
case ('crystallite')
microstructure_crystallite(section) = IO_intValue(line,positions,2)
case ('(constituent)') case ('(constituent)')
constituent = constituent + 1 constituent = constituent + 1
do i=2,6,2 do i=2,6,2
@ -269,6 +290,53 @@ subroutine material_parseMicrostructure(file,myPart)
endsubroutine endsubroutine
!*********************************************************************
subroutine material_parseCrystallite(file,myPart)
!*********************************************************************
use prec, only: pInt
use IO
use mesh, only: mesh_element
implicit none
character(len=*), intent(in) :: myPart
integer(pInt), intent(in) :: file
integer(pInt) Nsections, section
character(len=64) tag
character(len=1024) line
Nsections = IO_countSections(file,myPart)
material_Ncrystallite = Nsections
if (Nsections < 1_pInt) call IO_error(125,ext_msg=myPart)
allocate(crystallite_name(Nsections)); crystallite_name = ''
allocate(crystallite_Noutput(Nsections)); crystallite_Noutput = 0_pInt
crystallite_Noutput = IO_countTagInPart(file,myPart,'(output)',Nsections)
rewind(file)
line = ''
section = 0
do while (IO_lc(IO_getTag(line,'<','>')) /= myPart) ! wind forward to myPart
read(file,'(a1024)',END=100) line
enddo
do
read(file,'(a1024)',END=100) line
if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') exit ! stop at next part
if (IO_getTag(line,'[',']') /= '') then ! next section
section = section + 1
crystallite_name(section) = IO_getTag(line,'[',']')
endif
enddo
100 return
endsubroutine
!********************************************************************* !*********************************************************************
subroutine material_parsePhase(file,myPart) subroutine material_parsePhase(file,myPart)
!********************************************************************* !*********************************************************************
@ -287,6 +355,8 @@ subroutine material_parsePhase(file,myPart)
Nsections = IO_countSections(file,myPart) Nsections = IO_countSections(file,myPart)
material_Nphase = Nsections material_Nphase = Nsections
if (Nsections < 1_pInt) call IO_error(125,ext_msg=myPart)
allocate(phase_name(Nsections)); phase_name = '' allocate(phase_name(Nsections)); phase_name = ''
allocate(phase_constitution(Nsections)); phase_constitution = '' allocate(phase_constitution(Nsections)); phase_constitution = ''
allocate(phase_constitutionInstance(Nsections)); phase_constitutionInstance = 0_pInt allocate(phase_constitutionInstance(Nsections)); phase_constitutionInstance = 0_pInt
@ -351,6 +421,8 @@ subroutine material_parseTexture(file,myPart)
Nsections = IO_countSections(file,myPart) Nsections = IO_countSections(file,myPart)
material_Ntexture = Nsections material_Ntexture = Nsections
if (Nsections < 1_pInt) call IO_error(125,ext_msg=myPart)
allocate(texture_name(Nsections)); texture_name = '' allocate(texture_name(Nsections)); texture_name = ''
allocate(texture_ODFfile(Nsections)); texture_ODFfile = '' allocate(texture_ODFfile(Nsections)); texture_ODFfile = ''
allocate(texture_symmetry(Nsections)); texture_symmetry = 1_pInt allocate(texture_symmetry(Nsections)); texture_symmetry = 1_pInt

4
code/mpie_cpfem_abaqus_exp.f
View File

@ -1,4 +1,4 @@
!* $Id: mpie_cpfem_abaqus.f 431 2009-10-13 06:55:15Z MPIE\f.roters $ !* $Id$
!******************************************************************** !********************************************************************
! Material subroutine for Abaqus ! Material subroutine for Abaqus
! !
@ -25,7 +25,7 @@ subroutine mpie_cpfem_init ()
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write(6,*) write(6,*)
write(6,*) '<<<+- mpie_cpfem_abaqus_exp init -+>>>' write(6,*) '<<<+- mpie_cpfem_abaqus_exp init -+>>>'
write(6,*) '$Id: mpie_cpfem_abaqus.f 431 2009-10-13 06:55:15Z MPIE\f.roters $' write(6,*) '$Id$'
write(6,*) write(6,*)
call flush(6) call flush(6)
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)

2
code/numerics.f90
View File

@ -43,7 +43,7 @@ real(pReal) relevantStrain, & ! strain
volDiscrPow_RGC ! powerlaw penalty for volume discrepancy volDiscrPow_RGC ! powerlaw penalty for volume discrepancy
!* Random seeding parameters: added <<<updated 27.08.2009>>> !* Random seeding parameters: added <<<updated 27.08.2009>>>
integer(pInt) fixedSeed ! fixed seeding for pseudo-random number generator integer(pInt) fixedSeed ! fixed seeding for pseudo-random number generator
CONTAINS CONTAINS

10
code/todo.txt
View File

@ -1,8 +1,8 @@
$Id$ $Id$
Things to be implemented into the code Things to be implemented into the code
# make OpenMP parallelization work again # make OpenMP parallelization work again
# define set of test problems with known solution # define set of test problems with known solution
# check out # check out
@phdthesis{Bal98, @phdthesis{Bal98,