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DAMASK_EICMD
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Merge remote-tracking branch 'origin/development' into python-improvements

This commit is contained in:
Martin Diehl 2021-01-13 12:23:21 +01:00
parent 4c35da8627 66af1f1818
commit 61204dcd93
28 changed files with 1745 additions and 1263 deletions
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2
PRIVATE

@ -1 +1 @@
Subproject commit 45ef93dbfa3e0e6fa830914b3632e188c308a099 Subproject commit 7846c71126705cc5d41dd79f2d595f4864434068

2
VERSION
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@ -1 +1 @@
v3.0.0-alpha2-173-g584c7cc3a v3.0.0-alpha2-258-g715504ee5

30
src/CPFEM2.f90
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@ -74,9 +74,23 @@ end subroutine CPFEM_initAll
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine CPFEM_init subroutine CPFEM_init
integer(HID_T) :: fileHandle
character(len=pStringLen) :: fileName
print'(/,a)', ' <<<+- CPFEM init -+>>>'; flush(IO_STDOUT) print'(/,a)', ' <<<+- CPFEM init -+>>>'; flush(IO_STDOUT)
if (interface_restartInc > 0) call crystallite_restartRead
if (interface_restartInc > 0) then
print'(/,a,i0,a)', ' reading restart information of increment from file'; flush(IO_STDOUT)
write(fileName,'(a,i0,a)') trim(getSolverJobName())//'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName)
call homogenization_restartRead(fileHandle)
call constitutive_restartRead(fileHandle)
call HDF5_closeFile(fileHandle)
endif
end subroutine CPFEM_init end subroutine CPFEM_init
@ -86,7 +100,19 @@ end subroutine CPFEM_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine CPFEM_restartWrite subroutine CPFEM_restartWrite
call crystallite_restartWrite integer(HID_T) :: fileHandle
character(len=pStringLen) :: fileName
print*, ' writing field and constitutive data required for restart to file';flush(IO_STDOUT)
write(fileName,'(a,i0,a)') trim(getSolverJobName())//'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName,'a')
call homogenization_restartWrite(fileHandle)
call constitutive_restartWrite(fileHandle)
call HDF5_closeFile(fileHandle)
end subroutine CPFEM_restartWrite end subroutine CPFEM_restartWrite

2
src/C_routines.c
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@ -43,7 +43,7 @@ void gethostname_c(char hostname[], int *stat){
void getusername_c(char username[], int *stat){ void getusername_c(char username[], int *stat){
struct passwd *pw = getpwuid(geteuid()); struct passwd *pw = getpwuid(getuid());
if(pw && strlen(pw->pw_name) <= STRLEN){ if(pw && strlen(pw->pw_name) <= STRLEN){
strncpy(username,pw->pw_name,STRLEN+1); strncpy(username,pw->pw_name,STRLEN+1);
*stat = 0; *stat = 0;

3
src/DAMASK_marc.f90
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@ -364,7 +364,8 @@ subroutine flux(f,ts,n,time)
real(pReal), dimension(2), intent(out) :: & real(pReal), dimension(2), intent(out) :: &
f f
call thermal_conduction_getSourceAndItsTangent(f(1), f(2), ts(3), n(3),mesh_FEM2DAMASK_elem(n(1))) f(2) = 0.0_pReal
call thermal_conduction_getSource(f(1), ts(3), n(3),mesh_FEM2DAMASK_elem(n(1)))
end subroutine flux end subroutine flux

5
src/commercialFEM_fileList.f90
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@ -32,8 +32,8 @@
#include "constitutive_plastic_disloTungsten.f90" #include "constitutive_plastic_disloTungsten.f90"
#include "constitutive_plastic_nonlocal.f90" #include "constitutive_plastic_nonlocal.f90"
#include "constitutive_thermal.f90" #include "constitutive_thermal.f90"
#include "source_thermal_dissipation.f90" #include "constitutive_thermal_dissipation.f90"
#include "source_thermal_externalheat.f90" #include "constitutive_thermal_externalheat.f90"
#include "kinematics_thermal_expansion.f90" #include "kinematics_thermal_expansion.f90"
#include "constitutive_damage.f90" #include "constitutive_damage.f90"
#include "source_damage_isoBrittle.f90" #include "source_damage_isoBrittle.f90"
@ -51,4 +51,5 @@
#include "homogenization_mech_none.f90" #include "homogenization_mech_none.f90"
#include "homogenization_mech_isostrain.f90" #include "homogenization_mech_isostrain.f90"
#include "homogenization_mech_RGC.f90" #include "homogenization_mech_RGC.f90"
#include "homogenization_thermal.f90"
#include "CPFEM.f90" #include "CPFEM.f90"

956
src/constitutive.f90
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File diff suppressed because it is too large Load Diff

274
src/constitutive_damage.f90
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@ -2,6 +2,16 @@
!> @brief internal microstructure state for all damage sources and kinematics constitutive models !> @brief internal microstructure state for all damage sources and kinematics constitutive models
!---------------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------------
submodule(constitutive) constitutive_damage submodule(constitutive) constitutive_damage
enum, bind(c); enumerator :: &
DAMAGE_UNDEFINED_ID, &
DAMAGE_ISOBRITTLE_ID, &
DAMAGE_ISODUCTILE_ID, &
DAMAGE_ANISOBRITTLE_ID, &
DAMAGE_ANISODUCTILE_ID
end enum
integer(kind(DAMAGE_UNDEFINED_ID)), dimension(:,:), allocatable :: &
phase_source !< active sources mechanisms of each phase
interface interface
@ -119,24 +129,24 @@ module subroutine damage_init
phases => config_material%get('phase') phases => config_material%get('phase')
allocate(sourceState (phases%length)) allocate(damageState (phases%length))
allocate(phase_Nsources(phases%length),source = 0) ! same for kinematics allocate(phase_Nsources(phases%length),source = 0) ! same for kinematics
do ph = 1,phases%length do ph = 1,phases%length
phase => phases%get(ph) phase => phases%get(ph)
sources => phase%get('source',defaultVal=emptyList) sources => phase%get('source',defaultVal=emptyList)
phase_Nsources(ph) = sources%length phase_Nsources(ph) = sources%length
allocate(sourceState(ph)%p(phase_Nsources(ph))) allocate(damageState(ph)%p(phase_Nsources(ph)))
enddo enddo
allocate(phase_source(maxval(phase_Nsources),phases%length), source = SOURCE_undefined_ID) allocate(phase_source(maxval(phase_Nsources),phases%length), source = DAMAGE_UNDEFINED_ID)
! initialize source mechanisms ! initialize source mechanisms
if(maxval(phase_Nsources) /= 0) then if(maxval(phase_Nsources) /= 0) then
where(source_damage_isoBrittle_init (maxval(phase_Nsources))) phase_source = SOURCE_damage_isoBrittle_ID where(source_damage_isoBrittle_init (maxval(phase_Nsources))) phase_source = DAMAGE_ISOBRITTLE_ID
where(source_damage_isoDuctile_init (maxval(phase_Nsources))) phase_source = SOURCE_damage_isoDuctile_ID where(source_damage_isoDuctile_init (maxval(phase_Nsources))) phase_source = DAMAGE_ISODUCTILE_ID
where(source_damage_anisoBrittle_init (maxval(phase_Nsources))) phase_source = SOURCE_damage_anisoBrittle_ID where(source_damage_anisoBrittle_init (maxval(phase_Nsources))) phase_source = DAMAGE_ANISOBRITTLE_ID
where(source_damage_anisoDuctile_init (maxval(phase_Nsources))) phase_source = SOURCE_damage_anisoDuctile_ID where(source_damage_anisoDuctile_init (maxval(phase_Nsources))) phase_source = DAMAGE_ANISODUCTILE_ID
endif endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -189,16 +199,16 @@ module subroutine constitutive_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi
constituent = material_phasememberAt(grain,ip,el) constituent = material_phasememberAt(grain,ip,el)
do source = 1, phase_Nsources(phase) do source = 1, phase_Nsources(phase)
select case(phase_source(source,phase)) select case(phase_source(source,phase))
case (SOURCE_damage_isoBrittle_ID) case (DAMAGE_ISOBRITTLE_ID)
call source_damage_isobrittle_getRateAndItsTangent (localphiDot, dLocalphiDot_dPhi, phi, phase, constituent) call source_damage_isobrittle_getRateAndItsTangent (localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
case (SOURCE_damage_isoDuctile_ID) case (DAMAGE_ISODUCTILE_ID)
call source_damage_isoductile_getRateAndItsTangent (localphiDot, dLocalphiDot_dPhi, phi, phase, constituent) call source_damage_isoductile_getRateAndItsTangent (localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
case (SOURCE_damage_anisoBrittle_ID) case (DAMAGE_ANISOBRITTLE_ID)
call source_damage_anisobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent) call source_damage_anisobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
case (SOURCE_damage_anisoDuctile_ID) case (DAMAGE_ANISODUCTILE_ID)
call source_damage_anisoductile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent) call source_damage_anisoductile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
case default case default
@ -214,6 +224,111 @@ module subroutine constitutive_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi
end subroutine constitutive_damage_getRateAndItsTangents end subroutine constitutive_damage_getRateAndItsTangents
!--------------------------------------------------------------------------------------------------
!> @brief integrate stress, state with adaptive 1st order explicit Euler method
!> using Fixed Point Iteration to adapt the stepsize
!--------------------------------------------------------------------------------------------------
module function integrateDamageState(dt,co,ip,el) result(broken)
real(pReal), intent(in) :: dt
integer, intent(in) :: &
el, & !< element index in element loop
ip, & !< integration point index in ip loop
co !< grain index in grain loop
logical :: broken
integer :: &
NiterationState, & !< number of iterations in state loop
ph, &
me, &
so
integer, dimension(maxval(phase_Nsources)) :: &
size_so
real(pReal) :: &
zeta
real(pReal), dimension(constitutive_source_maxSizeDotState) :: &
r ! state residuum
real(pReal), dimension(constitutive_source_maxSizeDotState,2,maxval(phase_Nsources)) :: source_dotState
logical :: &
converged_
ph = material_phaseAt(co,el)
me = material_phaseMemberAt(co,ip,el)
converged_ = .true.
broken = constitutive_damage_collectDotState(co,ip,el,ph,me)
if(broken) return
do so = 1, phase_Nsources(ph)
size_so(so) = damageState(ph)%p(so)%sizeDotState
damageState(ph)%p(so)%state(1:size_so(so),me) = damageState(ph)%p(so)%subState0(1:size_so(so),me) &
+ damageState(ph)%p(so)%dotState (1:size_so(so),me) * dt
source_dotState(1:size_so(so),2,so) = 0.0_pReal
enddo
iteration: do NiterationState = 1, num%nState
do so = 1, phase_Nsources(ph)
if(nIterationState > 1) source_dotState(1:size_so(so),2,so) = source_dotState(1:size_so(so),1,so)
source_dotState(1:size_so(so),1,so) = damageState(ph)%p(so)%dotState(:,me)
enddo
broken = constitutive_damage_collectDotState(co,ip,el,ph,me)
if(broken) exit iteration
do so = 1, phase_Nsources(ph)
zeta = damper(damageState(ph)%p(so)%dotState(:,me), &
source_dotState(1:size_so(so),1,so),&
source_dotState(1:size_so(so),2,so))
damageState(ph)%p(so)%dotState(:,me) = damageState(ph)%p(so)%dotState(:,me) * zeta &
+ source_dotState(1:size_so(so),1,so)* (1.0_pReal - zeta)
r(1:size_so(so)) = damageState(ph)%p(so)%state (1:size_so(so),me) &
- damageState(ph)%p(so)%subState0(1:size_so(so),me) &
- damageState(ph)%p(so)%dotState (1:size_so(so),me) * dt
damageState(ph)%p(so)%state(1:size_so(so),me) = damageState(ph)%p(so)%state(1:size_so(so),me) &
- r(1:size_so(so))
converged_ = converged_ .and. converged(r(1:size_so(so)), &
damageState(ph)%p(so)%state(1:size_so(so),me), &
damageState(ph)%p(so)%atol(1:size_so(so)))
enddo
if(converged_) then
broken = constitutive_damage_deltaState(mech_F_e(ph,me),co,ip,el,ph,me)
exit iteration
endif
enddo iteration
broken = broken .or. .not. converged_
contains
!--------------------------------------------------------------------------------------------------
!> @brief calculate the damping for correction of state and dot state
!--------------------------------------------------------------------------------------------------
real(pReal) pure function damper(current,previous,previous2)
real(pReal), dimension(:), intent(in) ::&
current, previous, previous2
real(pReal) :: dot_prod12, dot_prod22
dot_prod12 = dot_product(current - previous, previous - previous2)
dot_prod22 = dot_product(previous - previous2, previous - previous2)
if ((dot_product(current,previous) < 0.0_pReal .or. dot_prod12 < 0.0_pReal) .and. dot_prod22 > 0.0_pReal) then
damper = 0.75_pReal + 0.25_pReal * tanh(2.0_pReal + 4.0_pReal * dot_prod12 / dot_prod22)
else
damper = 1.0_pReal
endif
end function damper
end function integrateDamageState
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
!< @brief writes damage sources results to HDF5 output file !< @brief writes damage sources results to HDF5 output file
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
@ -226,23 +341,23 @@ module subroutine damage_results(group,ph)
sourceLoop: do so = 1, phase_Nsources(ph) sourceLoop: do so = 1, phase_Nsources(ph)
if (phase_source(so,ph) /= SOURCE_UNDEFINED_ID) & if (phase_source(so,ph) /= DAMAGE_UNDEFINED_ID) &
call results_closeGroup(results_addGroup(group//'sources/')) ! should be 'damage' call results_closeGroup(results_addGroup(group//'sources/')) ! should be 'damage'
sourceType: select case (phase_source(so,ph)) sourceType: select case (phase_source(so,ph))
case (SOURCE_damage_anisoBrittle_ID) sourceType case (DAMAGE_ISOBRITTLE_ID) sourceType
call source_damage_anisoBrittle_results(ph,group//'sources/')
case (SOURCE_damage_anisoDuctile_ID) sourceType
call source_damage_anisoDuctile_results(ph,group//'sources/')
case (SOURCE_damage_isoBrittle_ID) sourceType
call source_damage_isoBrittle_results(ph,group//'sources/') call source_damage_isoBrittle_results(ph,group//'sources/')
case (SOURCE_damage_isoDuctile_ID) sourceType case (DAMAGE_ISODUCTILE_ID) sourceType
call source_damage_isoDuctile_results(ph,group//'sources/') call source_damage_isoDuctile_results(ph,group//'sources/')
case (DAMAGE_ANISOBRITTLE_ID) sourceType
call source_damage_anisoBrittle_results(ph,group//'sources/')
case (DAMAGE_ANISODUCTILE_ID) sourceType
call source_damage_anisoDuctile_results(ph,group//'sources/')
end select sourceType end select sourceType
enddo SourceLoop enddo SourceLoop
@ -250,4 +365,123 @@ module subroutine damage_results(group,ph)
end subroutine damage_results end subroutine damage_results
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the rate of change of microstructure
!--------------------------------------------------------------------------------------------------
function constitutive_damage_collectDotState(co,ip,el,ph,of) result(broken)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el, & !< element
ph, &
of
integer :: &
so !< counter in source loop
logical :: broken
broken = .false.
SourceLoop: do so = 1, phase_Nsources(ph)
sourceType: select case (phase_source(so,ph))
case (DAMAGE_ISODUCTILE_ID) sourceType
call source_damage_isoDuctile_dotState(co, ip, el)
case (DAMAGE_ANISODUCTILE_ID) sourceType
call source_damage_anisoDuctile_dotState(co, ip, el)
case (DAMAGE_ANISOBRITTLE_ID) sourceType
call source_damage_anisoBrittle_dotState(mech_S(material_phaseAt(co,el),material_phaseMemberAt(co,ip,el)),&
co, ip, el) ! correct stress?
end select sourceType
broken = broken .or. any(IEEE_is_NaN(damageState(ph)%p(so)%dotState(:,of)))
enddo SourceLoop
end function constitutive_damage_collectDotState
!--------------------------------------------------------------------------------------------------
!> @brief for constitutive models having an instantaneous change of state
!> will return false if delta state is not needed/supported by the constitutive model
!--------------------------------------------------------------------------------------------------
function constitutive_damage_deltaState(Fe, co, ip, el, ph, of) result(broken)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el, & !< element
ph, &
of
real(pReal), intent(in), dimension(3,3) :: &
Fe !< elastic deformation gradient
integer :: &
so, &
myOffset, &
mySize
logical :: &
broken
broken = .false.
sourceLoop: do so = 1, phase_Nsources(ph)
sourceType: select case (phase_source(so,ph))
case (DAMAGE_ISOBRITTLE_ID) sourceType
call source_damage_isoBrittle_deltaState (constitutive_homogenizedC(co,ip,el), Fe, &
co, ip, el)
broken = any(IEEE_is_NaN(damageState(ph)%p(so)%deltaState(:,of)))
if(.not. broken) then
myOffset = damageState(ph)%p(so)%offsetDeltaState
mySize = damageState(ph)%p(so)%sizeDeltaState
damageState(ph)%p(so)%state(myOffset + 1: myOffset + mySize,of) = &
damageState(ph)%p(so)%state(myOffset + 1: myOffset + mySize,of) + damageState(ph)%p(so)%deltaState(1:mySize,of)
endif
end select sourceType
enddo SourceLoop
end function constitutive_damage_deltaState
!--------------------------------------------------------------------------------------------------
!> @brief checks if a source mechanism is active or not
!--------------------------------------------------------------------------------------------------
function source_active(source_label,src_length) result(active_source)
character(len=*), intent(in) :: source_label !< name of source mechanism
integer, intent(in) :: src_length !< max. number of sources in system
logical, dimension(:,:), allocatable :: active_source
class(tNode), pointer :: &
phases, &
phase, &
sources, &
src
integer :: p,s
phases => config_material%get('phase')
allocate(active_source(src_length,phases%length), source = .false. )
do p = 1, phases%length
phase => phases%get(p)
sources => phase%get('source',defaultVal=emptyList)
do s = 1, sources%length
src => sources%get(s)
if(src%get_asString('type') == source_label) active_source(s,p) = .true.
enddo
enddo
end function source_active
end submodule constitutive_damage end submodule constitutive_damage

779
src/constitutive_mech.f90
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20
src/constitutive_plastic_nonlocal.f90
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@ -552,10 +552,8 @@ end function plastic_nonlocal_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates quantities characterizing the microstructure !> @brief calculates quantities characterizing the microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine plastic_nonlocal_dependentState(F, instance, of, ip, el) module subroutine plastic_nonlocal_dependentState(instance, of, ip, el)
real(pReal), dimension(3,3), intent(in) :: &
F
integer, intent(in) :: & integer, intent(in) :: &
instance, & instance, &
of, & of, &
@ -647,7 +645,7 @@ module subroutine plastic_nonlocal_dependentState(F, instance, of, ip, el)
ph = material_phaseAt(1,el) ph = material_phaseAt(1,el)
me = material_phaseMemberAt(1,ip,el) me = material_phaseMemberAt(1,ip,el)
invFp = math_inv33(constitutive_mech_Fp(ph)%data(1:3,1:3,me)) invFp = math_inv33(constitutive_mech_Fp(ph)%data(1:3,1:3,me))
invFe = matmul(constitutive_mech_Fp(ph)%data(1:3,1:3,me),math_inv33(F)) invFe = math_inv33(constitutive_mech_Fe(ph)%data(1:3,1:3,me))
rho_edg_delta = rho0(:,mob_edg_pos) - rho0(:,mob_edg_neg) rho_edg_delta = rho0(:,mob_edg_pos) - rho0(:,mob_edg_neg)
rho_scr_delta = rho0(:,mob_scr_pos) - rho0(:,mob_scr_neg) rho_scr_delta = rho0(:,mob_scr_pos) - rho0(:,mob_scr_neg)
@ -976,13 +974,11 @@ end subroutine plastic_nonlocal_deltaState
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
!> @brief calculates the rate of change of microstructure !> @brief calculates the rate of change of microstructure
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
module subroutine plastic_nonlocal_dotState(Mp, F, Temperature,timestep, & module subroutine plastic_nonlocal_dotState(Mp, Temperature,timestep, &
instance,of,ip,el) instance,of,ip,el)
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
Mp !< MandelStress Mp !< MandelStress
real(pReal), dimension(3,3,homogenization_maxNconstituents,discretization_nIPs,discretization_Nelems), intent(in) :: &
F !< Deformation gradient
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
Temperature, & !< temperature Temperature, & !< temperature
timestep !< substepped crystallite time increment timestep !< substepped crystallite time increment
@ -1149,7 +1145,7 @@ module subroutine plastic_nonlocal_dotState(Mp, F, Temperature,timestep, &
- rhoDip(s,1) / timestep - rhoDotAthermalAnnihilation(s,9) & - rhoDip(s,1) / timestep - rhoDotAthermalAnnihilation(s,9) &
- rhoDotSingle2DipoleGlide(s,9)) ! make sure that we do not annihilate more dipoles than we have - rhoDotSingle2DipoleGlide(s,9)) ! make sure that we do not annihilate more dipoles than we have
rhoDot = rhoDotFlux(F,timestep, instance,of,ip,el) & rhoDot = rhoDotFlux(timestep, instance,of,ip,el) &
+ rhoDotMultiplication & + rhoDotMultiplication &
+ rhoDotSingle2DipoleGlide & + rhoDotSingle2DipoleGlide &
+ rhoDotAthermalAnnihilation & + rhoDotAthermalAnnihilation &
@ -1178,10 +1174,8 @@ end subroutine plastic_nonlocal_dotState
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
!> @brief calculates the rate of change of microstructure !> @brief calculates the rate of change of microstructure
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
function rhoDotFlux(F,timestep, instance,of,ip,el) function rhoDotFlux(timestep,instance,of,ip,el)
real(pReal), dimension(3,3,homogenization_maxNconstituents,discretization_nIPs,discretization_Nelems), intent(in) :: &
F !< Deformation gradient
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
timestep !< substepped crystallite time increment timestep !< substepped crystallite time increment
integer, intent(in) :: & integer, intent(in) :: &
@ -1293,7 +1287,7 @@ function rhoDotFlux(F,timestep, instance,of,ip,el)
m(1:3,:,3) = -prm%slip_transverse m(1:3,:,3) = -prm%slip_transverse
m(1:3,:,4) = prm%slip_transverse m(1:3,:,4) = prm%slip_transverse
my_F = F(1:3,1:3,1,ip,el) my_F = constitutive_mech_F(ph)%data(1:3,1:3,of)
my_Fe = matmul(my_F, math_inv33(constitutive_mech_Fp(ph)%data(1:3,1:3,of))) my_Fe = matmul(my_F, math_inv33(constitutive_mech_Fp(ph)%data(1:3,1:3,of)))
neighbors: do n = 1,nIPneighbors neighbors: do n = 1,nIPneighbors
@ -1311,7 +1305,7 @@ function rhoDotFlux(F,timestep, instance,of,ip,el)
if (neighbor_n > 0) then ! if neighbor exists, average deformation gradient if (neighbor_n > 0) then ! if neighbor exists, average deformation gradient
neighbor_instance = phase_plasticityInstance(material_phaseAt(1,neighbor_el)) neighbor_instance = phase_plasticityInstance(material_phaseAt(1,neighbor_el))
neighbor_F = F(1:3,1:3,1,neighbor_ip,neighbor_el) neighbor_F = constitutive_mech_F(np)%data(1:3,1:3,no)
neighbor_Fe = matmul(neighbor_F, math_inv33(constitutive_mech_Fp(np)%data(1:3,1:3,no))) neighbor_Fe = matmul(neighbor_F, math_inv33(constitutive_mech_Fp(np)%data(1:3,1:3,no)))
Favg = 0.5_pReal * (my_F + neighbor_F) Favg = 0.5_pReal * (my_F + neighbor_F)
else ! if no neighbor, take my value as average else ! if no neighbor, take my value as average

323
src/constitutive_thermal.f90
View File

@ -3,6 +3,21 @@
!---------------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------------
submodule(constitutive) constitutive_thermal submodule(constitutive) constitutive_thermal
enum, bind(c); enumerator :: &
THERMAL_UNDEFINED_ID ,&
THERMAL_DISSIPATION_ID, &
THERMAL_EXTERNALHEAT_ID
end enum
type :: tDataContainer
real(pReal), dimension(:), allocatable :: T
end type tDataContainer
integer(kind(THERMAL_UNDEFINED_ID)), dimension(:,:), allocatable :: &
thermal_source
type(tDataContainer), dimension(:), allocatable :: current
integer :: thermal_source_maxSizeDotState
interface interface
module function source_thermal_dissipation_init(source_length) result(mySources) module function source_thermal_dissipation_init(source_length) result(mySources)
@ -21,7 +36,7 @@ submodule(constitutive) constitutive_thermal
end function kinematics_thermal_expansion_init end function kinematics_thermal_expansion_init
module subroutine source_thermal_dissipation_getRateAndItsTangent(TDot, dTDot_dT, Tstar, Lp, phase) module subroutine thermal_dissipation_getRate(TDot, Tstar,Lp,phase)
integer, intent(in) :: & integer, intent(in) :: &
phase !< phase ID of element phase !< phase ID of element
real(pReal), intent(in), dimension(3,3) :: & real(pReal), intent(in), dimension(3,3) :: &
@ -29,18 +44,16 @@ submodule(constitutive) constitutive_thermal
real(pReal), intent(in), dimension(3,3) :: & real(pReal), intent(in), dimension(3,3) :: &
Lp !< plastic velocuty gradient for a given element Lp !< plastic velocuty gradient for a given element
real(pReal), intent(out) :: & real(pReal), intent(out) :: &
TDot, & TDot
dTDot_dT end subroutine thermal_dissipation_getRate
end subroutine source_thermal_dissipation_getRateAndItsTangent
module subroutine source_thermal_externalheat_getRateAndItsTangent(TDot, dTDot_dT, phase, of) module subroutine thermal_externalheat_getRate(TDot, phase,of)
integer, intent(in) :: & integer, intent(in) :: &
phase, & phase, &
of of
real(pReal), intent(out) :: & real(pReal), intent(out) :: &
TDot, & TDot
dTDot_dT end subroutine thermal_externalheat_getRate
end subroutine source_thermal_externalheat_getRateAndItsTangent
end interface end interface
@ -49,13 +62,59 @@ contains
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
!< @brief initializes thermal sources and kinematics mechanism !< @brief initializes thermal sources and kinematics mechanism
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
module subroutine thermal_init module subroutine thermal_init(phases)
! initialize source mechanisms class(tNode), pointer :: &
if(maxval(phase_Nsources) /= 0) then phases
where(source_thermal_dissipation_init (maxval(phase_Nsources))) phase_source = SOURCE_thermal_dissipation_ID
where(source_thermal_externalheat_init(maxval(phase_Nsources))) phase_source = SOURCE_thermal_externalheat_ID class(tNode), pointer :: &
phase, thermal, sources
integer :: &
ph, so, &
Nconstituents
print'(/,a)', ' <<<+- constitutive_thermal init -+>>>'
allocate(current(phases%length))
allocate(thermalState (phases%length))
allocate(thermal_Nsources(phases%length),source = 0)
do ph = 1, phases%length
Nconstituents = count(material_phaseAt == ph) * discretization_nIPs
allocate(current(ph)%T(Nconstituents))
phase => phases%get(ph)
if(phase%contains('thermal')) then
thermal => phase%get('thermal')
sources => thermal%get('source',defaultVal=emptyList)
thermal_Nsources(ph) = sources%length
endif endif
allocate(thermalstate(ph)%p(thermal_Nsources(ph)))
enddo
allocate(thermal_source(maxval(thermal_Nsources),phases%length), source = THERMAL_UNDEFINED_ID)
if(maxval(thermal_Nsources) /= 0) then
where(source_thermal_dissipation_init (maxval(thermal_Nsources))) thermal_source = THERMAL_DISSIPATION_ID
where(source_thermal_externalheat_init(maxval(thermal_Nsources))) thermal_source = THERMAL_EXTERNALHEAT_ID
endif
thermal_source_maxSizeDotState = 0
PhaseLoop2:do ph = 1,phases%length
do so = 1,thermal_Nsources(ph)
thermalState(ph)%p(so)%partitionedState0 = thermalState(ph)%p(so)%state0
thermalState(ph)%p(so)%state = thermalState(ph)%p(so)%partitionedState0
enddo
thermal_source_maxSizeDotState = max(thermal_source_maxSizeDotState, &
maxval(thermalState(ph)%p%sizeDotState))
enddo PhaseLoop2
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!initialize kinematic mechanisms !initialize kinematic mechanisms
@ -68,58 +127,236 @@ end subroutine thermal_init
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
!< @brief calculates thermal dissipation rate !< @brief calculates thermal dissipation rate
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
module subroutine constitutive_thermal_getRateAndItsTangents(TDot, dTDot_dT, T, S, Lp, ip, el) module subroutine constitutive_thermal_getRate(TDot, T, ip, el)
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< integration point number ip, & !< integration point number
el !< element number el !< element number
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
T T !< plastic velocity gradient
real(pReal), intent(in), dimension(:,:,:,:,:) :: & real(pReal), intent(out) :: &
S, & !< current 2nd Piola Kirchhoff stress TDot
Lp !< plastic velocity gradient
real(pReal), intent(inout) :: &
TDot, &
dTDot_dT
real(pReal) :: & real(pReal) :: &
my_Tdot, & my_Tdot
my_dTdot_dT
integer :: & integer :: &
phase, & ph, &
homog, & homog, &
instance, & instance, &
grain, & me, &
source, & so, &
constituent co
homog = material_homogenizationAt(el) homog = material_homogenizationAt(el)
instance = thermal_typeInstance(homog) instance = thermal_typeInstance(homog)
do grain = 1, homogenization_Nconstituents(homog) TDot = 0.0_pReal
phase = material_phaseAt(grain,el) do co = 1, homogenization_Nconstituents(homog)
constituent = material_phasememberAt(grain,ip,el) ph = material_phaseAt(co,el)
do source = 1, phase_Nsources(phase) me = material_phasememberAt(co,ip,el)
select case(phase_source(source,phase)) do so = 1, thermal_Nsources(ph)
case (SOURCE_thermal_dissipation_ID) select case(thermal_source(so,ph))
call source_thermal_dissipation_getRateAndItsTangent(my_Tdot, my_dTdot_dT, & case (THERMAL_DISSIPATION_ID)
S(1:3,1:3,grain,ip,el), & call thermal_dissipation_getRate(my_Tdot, mech_S(ph,me),mech_L_p(ph,me),ph)
Lp(1:3,1:3,grain,ip,el), &
phase)
case (SOURCE_thermal_externalheat_ID) case (THERMAL_EXTERNALHEAT_ID)
call source_thermal_externalheat_getRateAndItsTangent(my_Tdot, my_dTdot_dT, & call thermal_externalheat_getRate(my_Tdot, ph,me)
phase, constituent)
case default case default
my_Tdot = 0.0_pReal my_Tdot = 0.0_pReal
my_dTdot_dT = 0.0_pReal
end select end select
Tdot = Tdot + my_Tdot Tdot = Tdot + my_Tdot
dTdot_dT = dTdot_dT + my_dTdot_dT
enddo enddo
enddo enddo
end subroutine constitutive_thermal_getRateAndItsTangents end subroutine constitutive_thermal_getRate
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the rate of change of microstructure
!--------------------------------------------------------------------------------------------------
function constitutive_thermal_collectDotState(ph,me) result(broken)
integer, intent(in) :: ph, me
logical :: broken
integer :: i
broken = .false.
SourceLoop: do i = 1, thermal_Nsources(ph)
if (thermal_source(i,ph) == THERMAL_EXTERNALHEAT_ID) &
call source_thermal_externalheat_dotState(ph,me)
broken = broken .or. any(IEEE_is_NaN(thermalState(ph)%p(i)%dotState(:,me)))
enddo SourceLoop
end function constitutive_thermal_collectDotState
!--------------------------------------------------------------------------------------------------
!> @brief integrate state with 1st order explicit Euler method
!--------------------------------------------------------------------------------------------------
module function integrateThermalState(Delta_t,co,ip,el) result(broken)
real(pReal), intent(in) :: Delta_t
integer, intent(in) :: &
el, & !< element index in element loop
ip, & !< integration point index in ip loop
co !< grain index in grain loop
logical :: &
broken
integer :: &
ph, &
me, &
so, &
sizeDotState
ph = material_phaseAt(co,el)
me = material_phaseMemberAt(co,ip,el)
broken = constitutive_thermal_collectDotState(ph,me)
if(broken) return
do so = 1, thermal_Nsources(ph)
sizeDotState = thermalState(ph)%p(so)%sizeDotState
thermalState(ph)%p(so)%state(1:sizeDotState,me) = thermalState(ph)%p(so)%subState0(1:sizeDotState,me) &
+ thermalState(ph)%p(so)%dotState(1:sizeDotState,me) * Delta_t
enddo
end function integrateThermalState
module subroutine thermal_initializeRestorationPoints(ph,me)
integer, intent(in) :: ph, me
integer :: so
do so = 1, size(thermalState(ph)%p)
thermalState(ph)%p(so)%partitionedState0(:,me) = thermalState(ph)%p(so)%state0(:,me)
enddo
end subroutine thermal_initializeRestorationPoints
module subroutine thermal_windForward(ph,me)
integer, intent(in) :: ph, me
integer :: so
do so = 1, size(thermalState(ph)%p)
thermalState(ph)%p(so)%partitionedState0(:,me) = thermalState(ph)%p(so)%state(:,me)
enddo
end subroutine thermal_windForward
module subroutine thermal_forward()
integer :: ph, so
do ph = 1, size(thermalState)
do so = 1, size(thermalState(ph)%p)
thermalState(ph)%p(so)%state0 = thermalState(ph)%p(so)%state
enddo
enddo
end subroutine thermal_forward
module subroutine thermal_restore(ip,el)
integer, intent(in) :: ip, el
integer :: co, ph, me, so
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
ph = material_phaseAt(co,el)
me = material_phaseMemberAt(co,ip,el)
do so = 1, size(thermalState(ph)%p)
thermalState(ph)%p(so)%state(:,me) = thermalState(ph)%p(so)%partitionedState0(:,me)
enddo
enddo
end subroutine thermal_restore
!----------------------------------------------------------------------------------------------
!< @brief Get temperature (for use by non-thermal physics)
!----------------------------------------------------------------------------------------------
module function thermal_T(ph,me) result(T)
integer, intent(in) :: ph, me
real(pReal) :: T
T = current(ph)%T(me)
end function thermal_T
!----------------------------------------------------------------------------------------------
!< @brief Set temperature
!----------------------------------------------------------------------------------------------
module subroutine constitutive_thermal_setT(T,co,ip,el)
real(pReal), intent(in) :: T
integer, intent(in) :: co, ip, el
current(material_phaseAt(co,el))%T(material_phaseMemberAt(co,ip,el)) = T
end subroutine constitutive_thermal_setT
!--------------------------------------------------------------------------------------------------
!> @brief checks if a source mechanism is active or not
!--------------------------------------------------------------------------------------------------
function thermal_active(source_label,src_length) result(active_source)
character(len=*), intent(in) :: source_label !< name of source mechanism
integer, intent(in) :: src_length !< max. number of sources in system
logical, dimension(:,:), allocatable :: active_source
class(tNode), pointer :: &
phases, &
phase, &
sources, thermal, &
src
integer :: p,s
phases => config_material%get('phase')
allocate(active_source(src_length,phases%length), source = .false. )
do p = 1, phases%length
phase => phases%get(p)
if (phase%contains('thermal')) then
thermal => phase%get('thermal',defaultVal=emptyList)
sources => thermal%get('source',defaultVal=emptyList)
do s = 1, sources%length
src => sources%get(s)
if(src%get_asString('type') == source_label) active_source(s,p) = .true.
enddo
endif
enddo
end function thermal_active
end submodule constitutive_thermal end submodule constitutive_thermal

28
src/source_thermal_dissipation.f90 → src/constitutive_thermal_dissipation.f90
View File

@ -4,7 +4,7 @@
!> @brief material subroutine for thermal source due to plastic dissipation !> @brief material subroutine for thermal source due to plastic dissipation
!> @details to be done !> @details to be done
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
submodule(constitutive:constitutive_thermal) source_thermal_dissipation submodule(constitutive:constitutive_thermal) source_dissipation
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
source_thermal_dissipation_offset, & !< which source is my current thermal dissipation mechanism? source_thermal_dissipation_offset, & !< which source is my current thermal dissipation mechanism?
@ -33,13 +33,14 @@ module function source_thermal_dissipation_init(source_length) result(mySources)
class(tNode), pointer :: & class(tNode), pointer :: &
phases, & phases, &
phase, & phase, &
sources, & sources, thermal, &
src src
integer :: Ninstances,sourceOffset,Nconstituents,p integer :: Ninstances,sourceOffset,Nconstituents,p
print'(/,a)', ' <<<+- source_thermal_dissipation init -+>>>' print'(/,a)', ' <<<+- thermal_dissipation init -+>>>'
mySources = thermal_active('dissipation',source_length)
mySources = source_active('thermal_dissipation',source_length)
Ninstances = count(mySources) Ninstances = count(mySources)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT) print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return if(Ninstances == 0) return
@ -51,18 +52,19 @@ module function source_thermal_dissipation_init(source_length) result(mySources)
do p = 1, phases%length do p = 1, phases%length
phase => phases%get(p) phase => phases%get(p)
if(count(mySources(:,p)) == 0) cycle
if(any(mySources(:,p))) source_thermal_dissipation_instance(p) = count(mySources(:,1:p)) if(any(mySources(:,p))) source_thermal_dissipation_instance(p) = count(mySources(:,1:p))
sources => phase%get('source') if(count(mySources(:,p)) == 0) cycle
thermal => phase%get('thermal')
sources => thermal%get('source')
do sourceOffset = 1, sources%length do sourceOffset = 1, sources%length
if(mySources(sourceOffset,p)) then if(mySources(sourceOffset,p)) then
source_thermal_dissipation_offset(p) = sourceOffset source_thermal_dissipation_offset(p) = sourceOffset
associate(prm => param(source_thermal_dissipation_instance(p))) associate(prm => param(source_thermal_dissipation_instance(p)))
src => sources%get(sourceOffset) src => sources%get(sourceOffset)
prm%kappa = src%get_asFloat('kappa') prm%kappa = src%get_asFloat('kappa')
Nconstituents = count(material_phaseAt==p) * discretization_nIPs Nconstituents = count(material_phaseAt==p) * discretization_nIPs
call constitutive_allocateState(sourceState(p)%p(sourceOffset),Nconstituents,0,0,0) call constitutive_allocateState(thermalState(p)%p(sourceOffset),Nconstituents,0,0,0)
end associate end associate
endif endif
@ -76,7 +78,7 @@ end function source_thermal_dissipation_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Ninstancess dissipation rate !> @brief Ninstancess dissipation rate
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine source_thermal_dissipation_getRateAndItsTangent(TDot, dTDot_dT, Tstar, Lp, phase) module subroutine thermal_dissipation_getRate(TDot, Tstar, Lp, phase)
integer, intent(in) :: & integer, intent(in) :: &
phase phase
@ -86,14 +88,12 @@ module subroutine source_thermal_dissipation_getRateAndItsTangent(TDot, dTDot_dT
Lp Lp
real(pReal), intent(out) :: & real(pReal), intent(out) :: &
TDot, & TDot
dTDot_dT
associate(prm => param(source_thermal_dissipation_instance(phase))) associate(prm => param(source_thermal_dissipation_instance(phase)))
TDot = prm%kappa*sum(abs(Tstar*Lp)) TDot = prm%kappa*sum(abs(Tstar*Lp))
dTDot_dT = 0.0_pReal
end associate end associate
end subroutine source_thermal_dissipation_getRateAndItsTangent end subroutine thermal_dissipation_getRate
end submodule source_thermal_dissipation end submodule source_dissipation

29
src/source_thermal_externalheat.f90 → src/constitutive_thermal_externalheat.f90
View File

@ -4,7 +4,7 @@
!> @author Philip Eisenlohr, Michigan State University !> @author Philip Eisenlohr, Michigan State University
!> @brief material subroutine for variable heat source !> @brief material subroutine for variable heat source
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
submodule(constitutive:constitutive_thermal) source_thermal_externalheat submodule(constitutive:constitutive_thermal) source_externalheat
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
@ -37,13 +37,14 @@ module function source_thermal_externalheat_init(source_length) result(mySources
class(tNode), pointer :: & class(tNode), pointer :: &
phases, & phases, &
phase, & phase, &
sources, & sources, thermal, &
src src
integer :: Ninstances,sourceOffset,Nconstituents,p integer :: Ninstances,sourceOffset,Nconstituents,p
print'(/,a)', ' <<<+- source_thermal_externalHeat init -+>>>' print'(/,a)', ' <<<+- thermal_externalheat init -+>>>'
mySources = thermal_active('externalheat',source_length)
mySources = source_active('thermal_externalheat',source_length)
Ninstances = count(mySources) Ninstances = count(mySources)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT) print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return if(Ninstances == 0) return
@ -57,7 +58,8 @@ module function source_thermal_externalheat_init(source_length) result(mySources
phase => phases%get(p) phase => phases%get(p)
if(any(mySources(:,p))) source_thermal_externalheat_instance(p) = count(mySources(:,1:p)) if(any(mySources(:,p))) source_thermal_externalheat_instance(p) = count(mySources(:,1:p))
if(count(mySources(:,p)) == 0) cycle if(count(mySources(:,p)) == 0) cycle
sources => phase%get('source') thermal => phase%get('thermal')
sources => thermal%get('source')
do sourceOffset = 1, sources%length do sourceOffset = 1, sources%length
if(mySources(sourceOffset,p)) then if(mySources(sourceOffset,p)) then
source_thermal_externalheat_offset(p) = sourceOffset source_thermal_externalheat_offset(p) = sourceOffset
@ -70,9 +72,8 @@ module function source_thermal_externalheat_init(source_length) result(mySources
prm%f_T = src%get_asFloats('f_T',requiredSize = size(prm%t_n)) prm%f_T = src%get_asFloats('f_T',requiredSize = size(prm%t_n))
Nconstituents = count(material_phaseAt==p) * discretization_nIPs Nconstituents = count(material_phaseAt==p) * discretization_nIPs
call constitutive_allocateState(sourceState(p)%p(sourceOffset),Nconstituents,1,1,0) call constitutive_allocateState(thermalState(p)%p(sourceOffset),Nconstituents,1,1,0)
end associate end associate
endif endif
enddo enddo
enddo enddo
@ -95,7 +96,7 @@ module subroutine source_thermal_externalheat_dotState(phase, of)
sourceOffset = source_thermal_externalheat_offset(phase) sourceOffset = source_thermal_externalheat_offset(phase)
sourceState(phase)%p(sourceOffset)%dotState(1,of) = 1.0_pReal ! state is current time thermalState(phase)%p(sourceOffset)%dotState(1,of) = 1.0_pReal ! state is current time
end subroutine source_thermal_externalheat_dotState end subroutine source_thermal_externalheat_dotState
@ -103,14 +104,13 @@ end subroutine source_thermal_externalheat_dotState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns local heat generation rate !> @brief returns local heat generation rate
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine source_thermal_externalheat_getRateAndItsTangent(TDot, dTDot_dT, phase, of) module subroutine thermal_externalheat_getRate(TDot, phase, of)
integer, intent(in) :: & integer, intent(in) :: &
phase, & phase, &
of of
real(pReal), intent(out) :: & real(pReal), intent(out) :: &
TDot, & TDot
dTDot_dT
integer :: & integer :: &
sourceOffset, interval sourceOffset, interval
@ -121,7 +121,7 @@ module subroutine source_thermal_externalheat_getRateAndItsTangent(TDot, dTDot_d
associate(prm => param(source_thermal_externalheat_instance(phase))) associate(prm => param(source_thermal_externalheat_instance(phase)))
do interval = 1, prm%nIntervals ! scan through all rate segments do interval = 1, prm%nIntervals ! scan through all rate segments
frac_time = (sourceState(phase)%p(sourceOffset)%state(1,of) - prm%t_n(interval)) & frac_time = (thermalState(phase)%p(sourceOffset)%state(1,of) - prm%t_n(interval)) &
/ (prm%t_n(interval+1) - prm%t_n(interval)) ! fractional time within segment / (prm%t_n(interval+1) - prm%t_n(interval)) ! fractional time within segment
if ( (frac_time < 0.0_pReal .and. interval == 1) & if ( (frac_time < 0.0_pReal .and. interval == 1) &
.or. (frac_time >= 1.0_pReal .and. interval == prm%nIntervals) & .or. (frac_time >= 1.0_pReal .and. interval == prm%nIntervals) &
@ -130,9 +130,8 @@ module subroutine source_thermal_externalheat_getRateAndItsTangent(TDot, dTDot_d
prm%f_T(interval+1) * frac_time ! interpolate heat rate between segment boundaries... prm%f_T(interval+1) * frac_time ! interpolate heat rate between segment boundaries...
! ...or extrapolate if outside of bounds ! ...or extrapolate if outside of bounds
enddo enddo
dTDot_dT = 0.0
end associate end associate
end subroutine source_thermal_externalheat_getRateAndItsTangent end subroutine thermal_externalheat_getRate
end submodule source_thermal_externalheat end submodule source_externalheat

8
src/damage_none.f90
View File

@ -25,10 +25,10 @@ subroutine damage_none_init
if (damage_type(h) /= DAMAGE_NONE_ID) cycle if (damage_type(h) /= DAMAGE_NONE_ID) cycle
Nmaterialpoints = count(material_homogenizationAt == h) Nmaterialpoints = count(material_homogenizationAt == h)
damageState(h)%sizeState = 0 damageState_h(h)%sizeState = 0
allocate(damageState(h)%state0 (0,Nmaterialpoints)) allocate(damageState_h(h)%state0 (0,Nmaterialpoints))
allocate(damageState(h)%subState0(0,Nmaterialpoints)) allocate(damageState_h(h)%subState0(0,Nmaterialpoints))
allocate(damageState(h)%state (0,Nmaterialpoints)) allocate(damageState_h(h)%state (0,Nmaterialpoints))
allocate (damage(h)%p(Nmaterialpoints), source=1.0_pReal) allocate (damage(h)%p(Nmaterialpoints), source=1.0_pReal)

10
src/damage_nonlocal.f90
View File

@ -76,12 +76,12 @@ subroutine damage_nonlocal_init
#endif #endif
Nmaterialpoints = count(material_homogenizationAt == h) Nmaterialpoints = count(material_homogenizationAt == h)
damageState(h)%sizeState = 1 damageState_h(h)%sizeState = 1
allocate(damageState(h)%state0 (1,Nmaterialpoints), source=1.0_pReal) allocate(damageState_h(h)%state0 (1,Nmaterialpoints), source=1.0_pReal)
allocate(damageState(h)%subState0(1,Nmaterialpoints), source=1.0_pReal) allocate(damageState_h(h)%subState0(1,Nmaterialpoints), source=1.0_pReal)
allocate(damageState(h)%state (1,Nmaterialpoints), source=1.0_pReal) allocate(damageState_h(h)%state (1,Nmaterialpoints), source=1.0_pReal)
damage(h)%p => damageState(h)%state(1,:) damage(h)%p => damageState_h(h)%state(1,:)
end associate end associate
enddo enddo

4
src/grid/grid_thermal_spectral.f90
View File

@ -256,7 +256,7 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
PetscObject :: dummy PetscObject :: dummy
PetscErrorCode :: ierr PetscErrorCode :: ierr
integer :: i, j, k, cell integer :: i, j, k, cell
real(pReal) :: Tdot, dTdot_dT real(pReal) :: Tdot
T_current = x_scal T_current = x_scal
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -278,7 +278,7 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
cell = 0 cell = 0
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1) do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
cell = cell + 1 cell = cell + 1
call thermal_conduction_getSourceAndItsTangent(Tdot, dTdot_dT, T_current(i,j,k), 1, cell) call thermal_conduction_getSource(Tdot, T_current(i,j,k), 1, cell)
scalarField_real(i,j,k) = params%timeinc*(scalarField_real(i,j,k) + Tdot) & scalarField_real(i,j,k) = params%timeinc*(scalarField_real(i,j,k) + Tdot) &
+ thermal_conduction_getMassDensity (1,cell)* & + thermal_conduction_getMassDensity (1,cell)* &
thermal_conduction_getSpecificHeat(1,cell)*(T_lastInc(i,j,k) - & thermal_conduction_getSpecificHeat(1,cell)*(T_lastInc(i,j,k) - &

102
src/homogenization.f90
View File

@ -16,6 +16,7 @@ module homogenization
use thermal_conduction use thermal_conduction
use damage_none use damage_none
use damage_nonlocal use damage_nonlocal
use HDF5_utilities
use results use results
implicit none implicit none
@ -26,6 +27,8 @@ module homogenization
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! General variables for the homogenization at a material point ! General variables for the homogenization at a material point
real(pReal), dimension(:), allocatable, public :: &
homogenization_T
real(pReal), dimension(:,:,:), allocatable, public :: & real(pReal), dimension(:,:,:), allocatable, public :: &
homogenization_F0, & !< def grad of IP at start of FE increment homogenization_F0, & !< def grad of IP at start of FE increment
homogenization_F !< def grad of IP to be reached at end of FE increment homogenization_F !< def grad of IP to be reached at end of FE increment
@ -55,6 +58,9 @@ module homogenization
num_homog !< pointer to mechanical homogenization numerics data num_homog !< pointer to mechanical homogenization numerics data
end subroutine mech_init end subroutine mech_init
module subroutine thermal_init
end subroutine thermal_init
module subroutine mech_partition(subF,ip,el) module subroutine mech_partition(subF,ip,el)
real(pReal), intent(in), dimension(3,3) :: & real(pReal), intent(in), dimension(3,3) :: &
subF subF
@ -63,7 +69,15 @@ module homogenization
el !< element number el !< element number
end subroutine mech_partition end subroutine mech_partition
module subroutine mech_homogenize(ip,el) module subroutine thermal_partition(T,ip,el)
real(pReal), intent(in) :: T
integer, intent(in) :: &
ip, & !< integration point
el !< element number
end subroutine thermal_partition
module subroutine mech_homogenize(dt,ip,el)
real(pReal), intent(in) :: dt
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< integration point ip, & !< integration point
el !< element number el !< element number
@ -91,7 +105,9 @@ module homogenization
homogenization_init, & homogenization_init, &
materialpoint_stressAndItsTangent, & materialpoint_stressAndItsTangent, &
homogenization_forward, & homogenization_forward, &
homogenization_results homogenization_results, &
homogenization_restartRead, &
homogenization_restartWrite
contains contains
@ -122,9 +138,10 @@ subroutine homogenization_init
call mech_init(num_homog) call mech_init(num_homog)
call thermal_init()
if (any(thermal_type == THERMAL_isothermal_ID)) call thermal_isothermal_init if (any(thermal_type == THERMAL_isothermal_ID)) call thermal_isothermal_init(homogenization_T)
if (any(thermal_type == THERMAL_conduction_ID)) call thermal_conduction_init if (any(thermal_type == THERMAL_conduction_ID)) call thermal_conduction_init(homogenization_T)
if (any(damage_type == DAMAGE_none_ID)) call damage_none_init if (any(damage_type == DAMAGE_none_ID)) call damage_none_init
if (any(damage_type == DAMAGE_nonlocal_ID)) call damage_nonlocal_init if (any(damage_type == DAMAGE_nonlocal_ID)) call damage_nonlocal_init
@ -168,10 +185,8 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
converged = .false. ! pretend failed step ... converged = .false. ! pretend failed step ...
subStep = 1.0_pReal/num%subStepSizeHomog ! ... larger then the requested calculation subStep = 1.0_pReal/num%subStepSizeHomog ! ... larger then the requested calculation
if (homogState(ho)%sizeState > 0) & if (homogState(ho)%sizeState > 0) homogState(ho)%subState0(:,me) = homogState(ho)%State0(:,me)
homogState(ho)%subState0(:,me) = homogState(ho)%State0(:,me) if (damageState_h(ho)%sizeState > 0) damageState_h(ho)%subState0(:,me) = damageState_h(ho)%State0(:,me)
if (damageState(ho)%sizeState > 0) &
damageState(ho)%subState0(:,me) = damageState(ho)%State0(:,me)
cutBackLooping: do while (.not. terminallyIll .and. subStep > num%subStepMinHomog) cutBackLooping: do while (.not. terminallyIll .and. subStep > num%subStepMinHomog)
@ -184,10 +199,8 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
! wind forward grain starting point ! wind forward grain starting point
call constitutive_windForward(ip,el) call constitutive_windForward(ip,el)
if(homogState(ho)%sizeState > 0) & if(homogState(ho)%sizeState > 0) homogState(ho)%subState0(:,me) = homogState(ho)%State(:,me)
homogState(ho)%subState0(:,me) = homogState(ho)%State(:,me) if(damageState_h(ho)%sizeState > 0) damageState_h(ho)%subState0(:,me) = damageState_h(ho)%State(:,me)
if(damageState(ho)%sizeState > 0) &
damageState(ho)%subState0(:,me) = damageState(ho)%State(:,me)
endif steppingNeeded endif steppingNeeded
elseif ( (myNgrains == 1 .and. subStep <= 1.0 ) .or. & ! single grain already tried internal subStepping in crystallite elseif ( (myNgrains == 1 .and. subStep <= 1.0 ) .or. & ! single grain already tried internal subStepping in crystallite
@ -201,10 +214,8 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
call constitutive_restore(ip,el,subStep < 1.0_pReal) call constitutive_restore(ip,el,subStep < 1.0_pReal)
if(homogState(ho)%sizeState > 0) & if(homogState(ho)%sizeState > 0) homogState(ho)%State(:,me) = homogState(ho)%subState0(:,me)
homogState(ho)%State(:,me) = homogState(ho)%subState0(:,me) if(damageState_h(ho)%sizeState > 0) damageState_h(ho)%State(:,me) = damageState_h(ho)%subState0(:,me)
if(damageState(ho)%sizeState > 0) &
damageState(ho)%State(:,me) = damageState(ho)%subState0(:,me)
endif endif
if (subStep > num%subStepMinHomog) doneAndHappy = [.false.,.true.] if (subStep > num%subStepMinHomog) doneAndHappy = [.false.,.true.]
@ -257,7 +268,7 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
do co = 1, myNgrains do co = 1, myNgrains
call crystallite_orientations(co,ip,el) call crystallite_orientations(co,ip,el)
enddo enddo
call mech_homogenize(ip,el) call mech_homogenize(dt,ip,el)
enddo IpLooping3 enddo IpLooping3
enddo elementLooping3 enddo elementLooping3
!$OMP END PARALLEL DO !$OMP END PARALLEL DO
@ -315,9 +326,64 @@ subroutine homogenization_forward
do ho = 1, size(material_name_homogenization) do ho = 1, size(material_name_homogenization)
homogState (ho)%state0 = homogState (ho)%state homogState (ho)%state0 = homogState (ho)%state
damageState(ho)%state0 = damageState(ho)%state damageState_h(ho)%state0 = damageState_h(ho)%state
enddo enddo
end subroutine homogenization_forward end subroutine homogenization_forward
!--------------------------------------------------------------------------------------------------
!--------------------------------------------------------------------------------------------------
subroutine homogenization_restartWrite(fileHandle)
integer(HID_T), intent(in) :: fileHandle
integer(HID_T), dimension(2) :: groupHandle
integer :: ho
groupHandle(1) = HDF5_addGroup(fileHandle,'homogenization')
do ho = 1, size(material_name_homogenization)
groupHandle(2) = HDF5_addGroup(groupHandle(1),material_name_homogenization(ho))
call HDF5_read(groupHandle(2),homogState(ho)%state,'omega') ! ToDo: should be done by mech
call HDF5_closeGroup(groupHandle(2))
enddo
call HDF5_closeGroup(groupHandle(1))
end subroutine homogenization_restartWrite
!--------------------------------------------------------------------------------------------------
!--------------------------------------------------------------------------------------------------
subroutine homogenization_restartRead(fileHandle)
integer(HID_T), intent(in) :: fileHandle
integer(HID_T), dimension(2) :: groupHandle
integer :: ho
groupHandle(1) = HDF5_openGroup(fileHandle,'homogenization')
do ho = 1, size(material_name_homogenization)
groupHandle(2) = HDF5_openGroup(groupHandle(1),material_name_homogenization(ho))
call HDF5_write(groupHandle(2),homogState(ho)%state,'omega') ! ToDo: should be done by mech
call HDF5_closeGroup(groupHandle(2))
enddo
call HDF5_closeGroup(groupHandle(1))
end subroutine homogenization_restartRead
end module homogenization end module homogenization

63
src/homogenization_mech.f90
View File

@ -52,12 +52,11 @@ submodule(homogenization) homogenization_mech
end subroutine mech_RGC_averageStressAndItsTangent end subroutine mech_RGC_averageStressAndItsTangent
module function mech_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el) result(doneAndHappy) module function mech_RGC_updateState(P,F,avgF,dt,dPdF,ip,el) result(doneAndHappy)
logical, dimension(2) :: doneAndHappy logical, dimension(2) :: doneAndHappy
real(pReal), dimension(:,:,:), intent(in) :: & real(pReal), dimension(:,:,:), intent(in) :: &
P,& !< partitioned stresses P,& !< partitioned stresses
F,& !< partitioned deformation gradients F !< partitioned deformation gradients
F0 !< partitioned initial deformation gradients
real(pReal), dimension(:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses real(pReal), dimension(:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
real(pReal), dimension(3,3), intent(in) :: avgF !< average F real(pReal), dimension(3,3), intent(in) :: avgF !< average F
real(pReal), intent(in) :: dt !< time increment real(pReal), intent(in) :: dt !< time increment
@ -113,67 +112,73 @@ module subroutine mech_partition(subF,ip,el)
ip, & !< integration point ip, & !< integration point
el !< element number el !< element number
integer :: co
real(pReal), dimension (3,3,homogenization_Nconstituents(material_homogenizationAt(el))) :: Fs
chosenHomogenization: select case(homogenization_type(material_homogenizationAt(el))) chosenHomogenization: select case(homogenization_type(material_homogenizationAt(el)))
case (HOMOGENIZATION_NONE_ID) chosenHomogenization case (HOMOGENIZATION_NONE_ID) chosenHomogenization
crystallite_F(1:3,1:3,1,ip,el) = subF Fs(1:3,1:3,1) = subF
case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization
call mech_isostrain_partitionDeformation(& call mech_isostrain_partitionDeformation(Fs,subF)
crystallite_F(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), &
subF)
case (HOMOGENIZATION_RGC_ID) chosenHomogenization case (HOMOGENIZATION_RGC_ID) chosenHomogenization
call mech_RGC_partitionDeformation(& call mech_RGC_partitionDeformation(Fs,subF,ip,el)
crystallite_F(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), &
subF,&
ip, &
el)
end select chosenHomogenization end select chosenHomogenization
do co = 1,homogenization_Nconstituents(material_homogenizationAt(el))
call constitutive_mech_setF(Fs(1:3,1:3,co),co,ip,el)
enddo
end subroutine mech_partition end subroutine mech_partition
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Average P and dPdF from the individual constituents. !> @brief Average P and dPdF from the individual constituents.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine mech_homogenize(ip,el) module subroutine mech_homogenize(dt,ip,el)
real(pReal), intent(in) :: dt
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< integration point ip, & !< integration point
el !< element number el !< element number
integer :: co,ce integer :: co,ce
real(pReal) :: dPdFs(3,3,3,3,homogenization_Nconstituents(material_homogenizationAt(el))) real(pReal) :: dPdFs(3,3,3,3,homogenization_Nconstituents(material_homogenizationAt(el)))
real(pReal) :: Ps(3,3,homogenization_Nconstituents(material_homogenizationAt(el)))
ce = (el-1)* discretization_nIPs + ip ce = (el-1)* discretization_nIPs + ip
chosenHomogenization: select case(homogenization_type(material_homogenizationAt(el))) chosenHomogenization: select case(homogenization_type(material_homogenizationAt(el)))
case (HOMOGENIZATION_NONE_ID) chosenHomogenization case (HOMOGENIZATION_NONE_ID) chosenHomogenization
homogenization_P(1:3,1:3,ce) = crystallite_P(1:3,1:3,1,ip,el) homogenization_P(1:3,1:3,ce) = constitutive_mech_getP(1,ip,el)
homogenization_dPdF(1:3,1:3,1:3,1:3,ce) = crystallite_stressTangent(1,ip,el) homogenization_dPdF(1:3,1:3,1:3,1:3,ce) = constitutive_mech_dPdF(dt,1,ip,el)
case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el)) do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
dPdFs(:,:,:,:,co) = crystallite_stressTangent(co,ip,el) dPdFs(:,:,:,:,co) = constitutive_mech_dPdF(dt,co,ip,el)
Ps(:,:,co) = constitutive_mech_getP(co,ip,el)
enddo enddo
call mech_isostrain_averageStressAndItsTangent(& call mech_isostrain_averageStressAndItsTangent(&
homogenization_P(1:3,1:3,ce), & homogenization_P(1:3,1:3,ce), &
homogenization_dPdF(1:3,1:3,1:3,1:3,ce),& homogenization_dPdF(1:3,1:3,1:3,1:3,ce),&
crystallite_P(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), & Ps,dPdFs, &
dPdFs, &
homogenization_typeInstance(material_homogenizationAt(el))) homogenization_typeInstance(material_homogenizationAt(el)))
case (HOMOGENIZATION_RGC_ID) chosenHomogenization case (HOMOGENIZATION_RGC_ID) chosenHomogenization
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el)) do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
dPdFs(:,:,:,:,co) = crystallite_stressTangent(co,ip,el) dPdFs(:,:,:,:,co) = constitutive_mech_dPdF(dt,co,ip,el)
Ps(:,:,co) = constitutive_mech_getP(co,ip,el)
enddo enddo
call mech_RGC_averageStressAndItsTangent(& call mech_RGC_averageStressAndItsTangent(&
homogenization_P(1:3,1:3,ce), & homogenization_P(1:3,1:3,ce), &
homogenization_dPdF(1:3,1:3,1:3,1:3,ce),& homogenization_dPdF(1:3,1:3,1:3,1:3,ce),&
crystallite_P(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), & Ps,dPdFs, &
dPdFs, &
homogenization_typeInstance(material_homogenizationAt(el))) homogenization_typeInstance(material_homogenizationAt(el)))
end select chosenHomogenization end select chosenHomogenization
@ -198,21 +203,17 @@ module function mech_updateState(subdt,subF,ip,el) result(doneAndHappy)
integer :: co integer :: co
real(pReal) :: dPdFs(3,3,3,3,homogenization_Nconstituents(material_homogenizationAt(el))) real(pReal) :: dPdFs(3,3,3,3,homogenization_Nconstituents(material_homogenizationAt(el)))
real(pReal) :: Fs(3,3,homogenization_Nconstituents(material_homogenizationAt(el)))
real(pReal) :: Ps(3,3,homogenization_Nconstituents(material_homogenizationAt(el)))
if (homogenization_type(material_homogenizationAt(el)) == HOMOGENIZATION_RGC_ID) then if (homogenization_type(material_homogenizationAt(el)) == HOMOGENIZATION_RGC_ID) then
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el)) do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
dPdFs(:,:,:,:,co) = crystallite_stressTangent(co,ip,el) dPdFs(:,:,:,:,co) = constitutive_mech_dPdF(subdt,co,ip,el)
Fs(:,:,co) = constitutive_mech_getF(co,ip,el)
Ps(:,:,co) = constitutive_mech_getP(co,ip,el)
enddo enddo
doneAndHappy = & doneAndHappy = mech_RGC_updateState(Ps,Fs,subF,subdt,dPdFs,ip,el)
mech_RGC_updateState(crystallite_P(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), &
crystallite_F(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el), &
crystallite_partitionedF0(1:3,1:3,1:homogenization_Nconstituents(material_homogenizationAt(el)),ip,el),&
subF,&
subdt, &
dPdFs, &
ip, &
el)
else else
doneAndHappy = .true. doneAndHappy = .true.
endif endif

31
src/homogenization_mech_RGC.f90
View File

@ -24,9 +24,6 @@ submodule(homogenization:homogenization_mech) homogenization_mech_RGC
end type tParameters end type tParameters
type :: tRGCstate type :: tRGCstate
real(pReal), pointer, dimension(:) :: &
work, &
penaltyEnergy
real(pReal), pointer, dimension(:,:) :: & real(pReal), pointer, dimension(:,:) :: &
relaxationVector relaxationVector
end type tRGCstate end type tRGCstate
@ -170,8 +167,7 @@ module subroutine mech_RGC_init(num_homogMech)
nIntFaceTot = 3*( (prm%N_constituents(1)-1)*prm%N_constituents(2)*prm%N_constituents(3) & nIntFaceTot = 3*( (prm%N_constituents(1)-1)*prm%N_constituents(2)*prm%N_constituents(3) &
+ prm%N_constituents(1)*(prm%N_constituents(2)-1)*prm%N_constituents(3) & + prm%N_constituents(1)*(prm%N_constituents(2)-1)*prm%N_constituents(3) &
+ prm%N_constituents(1)*prm%N_constituents(2)*(prm%N_constituents(3)-1)) + prm%N_constituents(1)*prm%N_constituents(2)*(prm%N_constituents(3)-1))
sizeState = nIntFaceTot & sizeState = nIntFaceTot
+ size(['avg constitutive work ','average penalty energy'])
homogState(h)%sizeState = sizeState homogState(h)%sizeState = sizeState
allocate(homogState(h)%state0 (sizeState,Nmaterialpoints), source=0.0_pReal) allocate(homogState(h)%state0 (sizeState,Nmaterialpoints), source=0.0_pReal)
@ -180,8 +176,6 @@ module subroutine mech_RGC_init(num_homogMech)
stt%relaxationVector => homogState(h)%state(1:nIntFaceTot,:) stt%relaxationVector => homogState(h)%state(1:nIntFaceTot,:)
st0%relaxationVector => homogState(h)%state0(1:nIntFaceTot,:) st0%relaxationVector => homogState(h)%state0(1:nIntFaceTot,:)
stt%work => homogState(h)%state(nIntFaceTot+1,:)
stt%penaltyEnergy => homogState(h)%state(nIntFaceTot+2,:)
allocate(dst%volumeDiscrepancy( Nmaterialpoints), source=0.0_pReal) allocate(dst%volumeDiscrepancy( Nmaterialpoints), source=0.0_pReal)
allocate(dst%relaxationRate_avg( Nmaterialpoints), source=0.0_pReal) allocate(dst%relaxationRate_avg( Nmaterialpoints), source=0.0_pReal)
@ -243,12 +237,11 @@ end subroutine mech_RGC_partitionDeformation
!> @brief update the internal state of the homogenization scheme and tell whether "done" and !> @brief update the internal state of the homogenization scheme and tell whether "done" and
! "happy" with result ! "happy" with result
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module function mech_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el) result(doneAndHappy) module function mech_RGC_updateState(P,F,avgF,dt,dPdF,ip,el) result(doneAndHappy)
logical, dimension(2) :: doneAndHappy logical, dimension(2) :: doneAndHappy
real(pReal), dimension(:,:,:), intent(in) :: & real(pReal), dimension(:,:,:), intent(in) :: &
P,& !< partitioned stresses P,& !< partitioned stresses
F,& !< partitioned deformation gradients F !< partitioned deformation gradients
F0 !< partitioned initial deformation gradients
real(pReal), dimension(:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses real(pReal), dimension(:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
real(pReal), dimension(3,3), intent(in) :: avgF !< average F real(pReal), dimension(3,3), intent(in) :: avgF !< average F
real(pReal), intent(in) :: dt !< time increment real(pReal), intent(in) :: dt !< time increment
@ -346,17 +339,6 @@ module function mech_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el) result(doneAndHa
if (residMax < num%rtol*stresMax .or. residMax < num%atol) then if (residMax < num%rtol*stresMax .or. residMax < num%atol) then
doneAndHappy = .true. doneAndHappy = .true.
!--------------------------------------------------------------------------------------------------
! compute/update the state for postResult, i.e., all energy densities computed by time-integration
do iGrain = 1,product(prm%N_constituents)
do i = 1,3;do j = 1,3
stt%work(of) = stt%work(of) &
+ P(i,j,iGrain)*(F(i,j,iGrain) - F0(i,j,iGrain))/real(nGrain,pReal)
stt%penaltyEnergy(of) = stt%penaltyEnergy(of) &
+ R(i,j,iGrain)*(F(i,j,iGrain) - F0(i,j,iGrain))/real(nGrain,pReal)
enddo; enddo
enddo
dst%mismatch(1:3,of) = sum(NN,2)/real(nGrain,pReal) dst%mismatch(1:3,of) = sum(NN,2)/real(nGrain,pReal)
dst%relaxationRate_avg(of) = sum(abs(drelax))/dt/real(3*nIntFaceTot,pReal) dst%relaxationRate_avg(of) = sum(abs(drelax))/dt/real(3*nIntFaceTot,pReal)
dst%relaxationRate_max(of) = maxval(abs(drelax))/dt dst%relaxationRate_max(of) = maxval(abs(drelax))/dt
@ -523,7 +505,6 @@ module function mech_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el) result(doneAndHa
integer, dimension (3) :: iGrain3,iGNghb3,nGDim integer, dimension (3) :: iGrain3,iGNghb3,nGDim
real(pReal), dimension (3,3) :: gDef,nDef real(pReal), dimension (3,3) :: gDef,nDef
real(pReal), dimension (3) :: nVect,surfCorr real(pReal), dimension (3) :: nVect,surfCorr
real(pReal), dimension (2) :: Gmoduli
integer :: iGrain,iGNghb,iFace,i,j,k,l integer :: iGrain,iGNghb,iFace,i,j,k,l
real(pReal) :: muGrain,muGNghb,nDefNorm real(pReal) :: muGrain,muGNghb,nDefNorm
real(pReal), parameter :: & real(pReal), parameter :: &
@ -755,15 +736,9 @@ module subroutine mech_RGC_results(instance,group)
associate(stt => state(instance), dst => dependentState(instance), prm => param(instance)) associate(stt => state(instance), dst => dependentState(instance), prm => param(instance))
outputsLoop: do o = 1,size(prm%output) outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o))) select case(trim(prm%output(o)))
case('W')
call results_writeDataset(group,stt%work,trim(prm%output(o)), &
'work density','J/m³')
case('M') case('M')
call results_writeDataset(group,dst%mismatch,trim(prm%output(o)), & call results_writeDataset(group,dst%mismatch,trim(prm%output(o)), &
'average mismatch tensor','1') 'average mismatch tensor','1')
case('R')
call results_writeDataset(group,stt%penaltyEnergy,trim(prm%output(o)), &
'mismatch penalty density','J/m³')
case('Delta_V') case('Delta_V')
call results_writeDataset(group,dst%volumeDiscrepancy,trim(prm%output(o)), & call results_writeDataset(group,dst%volumeDiscrepancy,trim(prm%output(o)), &
'volume discrepancy','m³') 'volume discrepancy','m³')

39
src/homogenization_thermal.f90 Normal file
View File

@ -0,0 +1,39 @@
!--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, KU Leuven
!--------------------------------------------------------------------------------------------------
submodule(homogenization) homogenization_thermal
contains
!--------------------------------------------------------------------------------------------------
!> @brief Allocate variables and set parameters.
!--------------------------------------------------------------------------------------------------
module subroutine thermal_init()
print'(/,a)', ' <<<+- homogenization_thermal init -+>>>'
allocate(homogenization_T(discretization_nIPs*discretization_Nelems))
end subroutine thermal_init
!--------------------------------------------------------------------------------------------------
!> @brief Partition T onto the individual constituents.
!--------------------------------------------------------------------------------------------------
module subroutine thermal_partition(T,ip,el)
real(pReal), intent(in) :: T
integer, intent(in) :: &
ip, & !< integration point
el !< element number
call constitutive_thermal_setT(T,1,ip,el)
end subroutine thermal_partition
end submodule homogenization_thermal

83
src/lattice.f90
View File

@ -453,12 +453,13 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine lattice_init subroutine lattice_init
integer :: Nphases, p,i integer :: Nphases, ph,i
class(tNode), pointer :: & class(tNode), pointer :: &
phases, & phases, &
phase, & phase, &
mech, & mech, &
elasticity elasticity, &
thermal
print'(/,a)', ' <<<+- lattice init -+>>>'; flush(IO_STDOUT) print'(/,a)', ' <<<+- lattice init -+>>>'; flush(IO_STDOUT)
@ -476,67 +477,71 @@ subroutine lattice_init
lattice_mu, lattice_nu,& lattice_mu, lattice_nu,&
source=[(0.0_pReal,i=1,Nphases)]) source=[(0.0_pReal,i=1,Nphases)])
do p = 1, phases%length do ph = 1, phases%length
phase => phases%get(p) phase => phases%get(ph)
mech => phase%get('mechanics') mech => phase%get('mechanics')
elasticity => mech%get('elasticity') elasticity => mech%get('elasticity')
lattice_C66(1,1,p) = elasticity%get_asFloat('C_11') lattice_C66(1,1,ph) = elasticity%get_asFloat('C_11')
lattice_C66(1,2,p) = elasticity%get_asFloat('C_12') lattice_C66(1,2,ph) = elasticity%get_asFloat('C_12')
lattice_C66(1,3,p) = elasticity%get_asFloat('C_13',defaultVal=0.0_pReal) lattice_C66(1,3,ph) = elasticity%get_asFloat('C_13',defaultVal=0.0_pReal)
lattice_C66(2,2,p) = elasticity%get_asFloat('C_22',defaultVal=0.0_pReal) lattice_C66(2,2,ph) = elasticity%get_asFloat('C_22',defaultVal=0.0_pReal)
lattice_C66(2,3,p) = elasticity%get_asFloat('C_23',defaultVal=0.0_pReal) lattice_C66(2,3,ph) = elasticity%get_asFloat('C_23',defaultVal=0.0_pReal)
lattice_C66(3,3,p) = elasticity%get_asFloat('C_33',defaultVal=0.0_pReal) lattice_C66(3,3,ph) = elasticity%get_asFloat('C_33',defaultVal=0.0_pReal)
lattice_C66(4,4,p) = elasticity%get_asFloat('C_44',defaultVal=0.0_pReal) lattice_C66(4,4,ph) = elasticity%get_asFloat('C_44',defaultVal=0.0_pReal)
lattice_C66(5,5,p) = elasticity%get_asFloat('C_55',defaultVal=0.0_pReal) lattice_C66(5,5,ph) = elasticity%get_asFloat('C_55',defaultVal=0.0_pReal)
lattice_C66(6,6,p) = elasticity%get_asFloat('C_66',defaultVal=0.0_pReal) lattice_C66(6,6,ph) = elasticity%get_asFloat('C_66',defaultVal=0.0_pReal)
select case(phase%get_asString('lattice')) select case(phase%get_asString('lattice'))
case('cF') case('cF')
lattice_structure(p) = lattice_FCC_ID lattice_structure(ph) = lattice_FCC_ID
case('cI') case('cI')
lattice_structure(p) = lattice_BCC_ID lattice_structure(ph) = lattice_BCC_ID
case('hP') case('hP')
lattice_structure(p) = lattice_HEX_ID lattice_structure(ph) = lattice_HEX_ID
case('tI') case('tI')
lattice_structure(p) = lattice_BCT_ID lattice_structure(ph) = lattice_BCT_ID
case('oP') case('oP')
lattice_structure(p) = lattice_ORT_ID lattice_structure(ph) = lattice_ORT_ID
case('aP') case('aP')
lattice_structure(p) = lattice_ISO_ID lattice_structure(ph) = lattice_ISO_ID
case default case default
call IO_error(130,ext_msg='lattice_init: '//phase%get_asString('lattice')) call IO_error(130,ext_msg='lattice_init: '//phase%get_asString('lattice'))
end select end select
lattice_C66(1:6,1:6,p) = applyLatticeSymmetryC66(lattice_C66(1:6,1:6,p),phase%get_asString('lattice')) lattice_C66(1:6,1:6,ph) = applyLatticeSymmetryC66(lattice_C66(1:6,1:6,ph),phase%get_asString('lattice'))
lattice_nu(p) = lattice_equivalent_nu(lattice_C66(1:6,1:6,p),'voigt') lattice_nu(ph) = lattice_equivalent_nu(lattice_C66(1:6,1:6,ph),'voigt')
lattice_mu(p) = lattice_equivalent_mu(lattice_C66(1:6,1:6,p),'voigt') lattice_mu(ph) = lattice_equivalent_mu(lattice_C66(1:6,1:6,ph),'voigt')
lattice_C66(1:6,1:6,p) = math_sym3333to66(math_Voigt66to3333(lattice_C66(1:6,1:6,p))) ! Literature data is in Voigt notation lattice_C66(1:6,1:6,ph) = math_sym3333to66(math_Voigt66to3333(lattice_C66(1:6,1:6,ph))) ! Literature data is in Voigt notation
do i = 1, 6 do i = 1, 6
if (abs(lattice_C66(i,i,p))<tol_math_check) & if (abs(lattice_C66(i,i,ph))<tol_math_check) &
call IO_error(135,el=i,ip=p,ext_msg='matrix diagonal "el"ement of phase "ip"') call IO_error(135,el=i,ip=ph,ext_msg='matrix diagonal "el"ement of phase "ip"')
enddo enddo
lattice_rho(ph) = phase%get_asFloat('rho', defaultVal=0.0_pReal)
! SHOULD NOT BE PART OF LATTICE BEGIN ! SHOULD NOT BE PART OF LATTICE BEGIN
lattice_K(1,1,p) = phase%get_asFloat('K_11',defaultVal=0.0_pReal)
lattice_K(2,2,p) = phase%get_asFloat('K_22',defaultVal=0.0_pReal) if (phase%contains('thermal')) then
lattice_K(3,3,p) = phase%get_asFloat('K_33',defaultVal=0.0_pReal) thermal => phase%get('thermal')
lattice_K(1:3,1:3,p) = lattice_applyLatticeSymmetry33(lattice_K(1:3,1:3,p), & lattice_K(1,1,ph) = thermal%get_asFloat('K_11',defaultVal=0.0_pReal)
lattice_K(2,2,ph) = thermal%get_asFloat('K_22',defaultVal=0.0_pReal)
lattice_K(3,3,ph) = thermal%get_asFloat('K_33',defaultVal=0.0_pReal)
lattice_K(1:3,1:3,ph) = lattice_applyLatticeSymmetry33(lattice_K(1:3,1:3,ph), &
phase%get_asString('lattice'))
lattice_c_p(ph) = thermal%get_asFloat('c_p', defaultVal=0.0_pReal)
endif
lattice_D(1,1,ph) = phase%get_asFloat('D_11',defaultVal=0.0_pReal)
lattice_D(2,2,ph) = phase%get_asFloat('D_22',defaultVal=0.0_pReal)
lattice_D(3,3,ph) = phase%get_asFloat('D_33',defaultVal=0.0_pReal)
lattice_D(1:3,1:3,ph) = lattice_applyLatticeSymmetry33(lattice_D(1:3,1:3,ph), &
phase%get_asString('lattice')) phase%get_asString('lattice'))
lattice_c_p(p) = phase%get_asFloat('c_p', defaultVal=0.0_pReal) lattice_M(ph) = phase%get_asFloat('M',defaultVal=0.0_pReal)
lattice_rho(p) = phase%get_asFloat('rho', defaultVal=0.0_pReal)
lattice_D(1,1,p) = phase%get_asFloat('D_11',defaultVal=0.0_pReal)
lattice_D(2,2,p) = phase%get_asFloat('D_22',defaultVal=0.0_pReal)
lattice_D(3,3,p) = phase%get_asFloat('D_33',defaultVal=0.0_pReal)
lattice_D(1:3,1:3,p) = lattice_applyLatticeSymmetry33(lattice_D(1:3,1:3,p), &
phase%get_asString('lattice'))
lattice_M(p) = phase%get_asFloat('M',defaultVal=0.0_pReal)
! SHOULD NOT BE PART OF LATTICE END ! SHOULD NOT BE PART OF LATTICE END
call selfTest call selfTest

4
src/material.f90
View File

@ -61,7 +61,7 @@ module material
type(tState), allocatable, dimension(:), public :: & type(tState), allocatable, dimension(:), public :: &
homogState, & homogState, &
damageState damageState_h
type(Rotation), dimension(:,:,:), allocatable, public, protected :: & type(Rotation), dimension(:,:,:), allocatable, public, protected :: &
material_orientation0 !< initial orientation of each grain,IP,element material_orientation0 !< initial orientation of each grain,IP,element
@ -101,7 +101,7 @@ subroutine material_init(restart)
allocate(homogState (size(material_name_homogenization))) allocate(homogState (size(material_name_homogenization)))
allocate(damageState (size(material_name_homogenization))) allocate(damageState_h (size(material_name_homogenization)))
allocate(temperature (size(material_name_homogenization))) allocate(temperature (size(material_name_homogenization)))
allocate(damage (size(material_name_homogenization))) allocate(damage (size(material_name_homogenization)))

16
src/source_damage_anisoBrittle.f90
View File

@ -101,9 +101,9 @@ module function source_damage_anisoBrittle_init(source_length) result(mySources)
if (any(prm%s_crit < 0.0_pReal)) extmsg = trim(extmsg)//' s_crit' if (any(prm%s_crit < 0.0_pReal)) extmsg = trim(extmsg)//' s_crit'
Nconstituents = count(material_phaseAt==p) * discretization_nIPs Nconstituents = count(material_phaseAt==p) * discretization_nIPs
call constitutive_allocateState(sourceState(p)%p(sourceOffset),Nconstituents,1,1,0) call constitutive_allocateState(damageState(p)%p(sourceOffset),Nconstituents,1,1,0)
sourceState(p)%p(sourceOffset)%atol = src%get_asFloat('anisobrittle_atol',defaultVal=1.0e-3_pReal) damageState(p)%p(sourceOffset)%atol = src%get_asFloat('anisobrittle_atol',defaultVal=1.0e-3_pReal)
if(any(sourceState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' anisobrittle_atol' if(any(damageState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' anisobrittle_atol'
end associate end associate
@ -146,7 +146,7 @@ module subroutine source_damage_anisoBrittle_dotState(S, co, ip, el)
damageOffset = material_homogenizationMemberAt(ip,el) damageOffset = material_homogenizationMemberAt(ip,el)
associate(prm => param(source_damage_anisoBrittle_instance(phase))) associate(prm => param(source_damage_anisoBrittle_instance(phase)))
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) = 0.0_pReal damageState(phase)%p(sourceOffset)%dotState(1,constituent) = 0.0_pReal
do i = 1, prm%sum_N_cl do i = 1, prm%sum_N_cl
traction_d = math_tensordot(S,prm%cleavage_systems(1:3,1:3,1,i)) traction_d = math_tensordot(S,prm%cleavage_systems(1:3,1:3,1,i))
traction_t = math_tensordot(S,prm%cleavage_systems(1:3,1:3,2,i)) traction_t = math_tensordot(S,prm%cleavage_systems(1:3,1:3,2,i))
@ -154,8 +154,8 @@ module subroutine source_damage_anisoBrittle_dotState(S, co, ip, el)
traction_crit = prm%g_crit(i)*damage(homog)%p(damageOffset)**2.0_pReal traction_crit = prm%g_crit(i)*damage(homog)%p(damageOffset)**2.0_pReal
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) & damageState(phase)%p(sourceOffset)%dotState(1,constituent) &
= sourceState(phase)%p(sourceOffset)%dotState(1,constituent) & = damageState(phase)%p(sourceOffset)%dotState(1,constituent) &
+ prm%dot_o / prm%s_crit(i) & + prm%dot_o / prm%s_crit(i) &
* ((max(0.0_pReal, abs(traction_d) - traction_crit)/traction_crit)**prm%q + & * ((max(0.0_pReal, abs(traction_d) - traction_crit)/traction_crit)**prm%q + &
(max(0.0_pReal, abs(traction_t) - traction_crit)/traction_crit)**prm%q + & (max(0.0_pReal, abs(traction_t) - traction_crit)/traction_crit)**prm%q + &
@ -185,7 +185,7 @@ module subroutine source_damage_anisobrittle_getRateAndItsTangent(localphiDot, d
sourceOffset = source_damage_anisoBrittle_offset(phase) sourceOffset = source_damage_anisoBrittle_offset(phase)
dLocalphiDot_dPhi = -sourceState(phase)%p(sourceOffset)%state(1,constituent) dLocalphiDot_dPhi = -damageState(phase)%p(sourceOffset)%state(1,constituent)
localphiDot = 1.0_pReal & localphiDot = 1.0_pReal &
+ dLocalphiDot_dPhi*phi + dLocalphiDot_dPhi*phi
@ -204,7 +204,7 @@ module subroutine source_damage_anisoBrittle_results(phase,group)
integer :: o integer :: o
associate(prm => param(source_damage_anisoBrittle_instance(phase)), & associate(prm => param(source_damage_anisoBrittle_instance(phase)), &
stt => sourceState(phase)%p(source_damage_anisoBrittle_offset(phase))%state) stt => damageState(phase)%p(source_damage_anisoBrittle_offset(phase))%state)
outputsLoop: do o = 1,size(prm%output) outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o))) select case(trim(prm%output(o)))
case ('f_phi') case ('f_phi')

12
src/source_damage_anisoDuctile.f90
View File

@ -87,9 +87,9 @@ module function source_damage_anisoDuctile_init(source_length) result(mySources)
if (any(prm%gamma_crit < 0.0_pReal)) extmsg = trim(extmsg)//' gamma_crit' if (any(prm%gamma_crit < 0.0_pReal)) extmsg = trim(extmsg)//' gamma_crit'
Nconstituents=count(material_phaseAt==p) * discretization_nIPs Nconstituents=count(material_phaseAt==p) * discretization_nIPs
call constitutive_allocateState(sourceState(p)%p(sourceOffset),Nconstituents,1,1,0) call constitutive_allocateState(damageState(p)%p(sourceOffset),Nconstituents,1,1,0)
sourceState(p)%p(sourceOffset)%atol = src%get_asFloat('anisoDuctile_atol',defaultVal=1.0e-3_pReal) damageState(p)%p(sourceOffset)%atol = src%get_asFloat('anisoDuctile_atol',defaultVal=1.0e-3_pReal)
if(any(sourceState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' anisoductile_atol' if(any(damageState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' anisoductile_atol'
end associate end associate
@ -128,7 +128,7 @@ module subroutine source_damage_anisoDuctile_dotState(co, ip, el)
damageOffset = material_homogenizationMemberAt(ip,el) damageOffset = material_homogenizationMemberAt(ip,el)
associate(prm => param(source_damage_anisoDuctile_instance(phase))) associate(prm => param(source_damage_anisoDuctile_instance(phase)))
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) & damageState(phase)%p(sourceOffset)%dotState(1,constituent) &
= sum(plasticState(phase)%slipRate(:,constituent)/(damage(homog)%p(damageOffset)**prm%q)/prm%gamma_crit) = sum(plasticState(phase)%slipRate(:,constituent)/(damage(homog)%p(damageOffset)**prm%q)/prm%gamma_crit)
end associate end associate
@ -154,7 +154,7 @@ module subroutine source_damage_anisoDuctile_getRateAndItsTangent(localphiDot, d
sourceOffset = source_damage_anisoDuctile_offset(phase) sourceOffset = source_damage_anisoDuctile_offset(phase)
dLocalphiDot_dPhi = -sourceState(phase)%p(sourceOffset)%state(1,constituent) dLocalphiDot_dPhi = -damageState(phase)%p(sourceOffset)%state(1,constituent)
localphiDot = 1.0_pReal & localphiDot = 1.0_pReal &
+ dLocalphiDot_dPhi*phi + dLocalphiDot_dPhi*phi
@ -173,7 +173,7 @@ module subroutine source_damage_anisoDuctile_results(phase,group)
integer :: o integer :: o
associate(prm => param(source_damage_anisoDuctile_instance(phase)), & associate(prm => param(source_damage_anisoDuctile_instance(phase)), &
stt => sourceState(phase)%p(source_damage_anisoDuctile_offset(phase))%state) stt => damageState(phase)%p(source_damage_anisoDuctile_offset(phase))%state)
outputsLoop: do o = 1,size(prm%output) outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o))) select case(trim(prm%output(o)))
case ('f_phi') case ('f_phi')

24
src/source_damage_isoBrittle.f90
View File

@ -74,9 +74,9 @@ module function source_damage_isoBrittle_init(source_length) result(mySources)
if (prm%W_crit <= 0.0_pReal) extmsg = trim(extmsg)//' W_crit' if (prm%W_crit <= 0.0_pReal) extmsg = trim(extmsg)//' W_crit'
Nconstituents = count(material_phaseAt==p) * discretization_nIPs Nconstituents = count(material_phaseAt==p) * discretization_nIPs
call constitutive_allocateState(sourceState(p)%p(sourceOffset),Nconstituents,1,1,1) call constitutive_allocateState(damageState(p)%p(sourceOffset),Nconstituents,1,1,1)
sourceState(p)%p(sourceOffset)%atol = src%get_asFloat('isoBrittle_atol',defaultVal=1.0e-3_pReal) damageState(p)%p(sourceOffset)%atol = src%get_asFloat('isoBrittle_atol',defaultVal=1.0e-3_pReal)
if(any(sourceState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isobrittle_atol' if(any(damageState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isobrittle_atol'
end associate end associate
@ -124,13 +124,13 @@ module subroutine source_damage_isoBrittle_deltaState(C, Fe, co, ip, el)
strainenergy = 2.0_pReal*sum(strain*matmul(C,strain))/prm%W_crit strainenergy = 2.0_pReal*sum(strain*matmul(C,strain))/prm%W_crit
! ToDo: check strainenergy = 2.0_pReal*dot_product(strain,matmul(C,strain))/prm%W_crit ! ToDo: check strainenergy = 2.0_pReal*dot_product(strain,matmul(C,strain))/prm%W_crit
if (strainenergy > sourceState(phase)%p(sourceOffset)%subState0(1,constituent)) then if (strainenergy > damageState(phase)%p(sourceOffset)%subState0(1,constituent)) then
sourceState(phase)%p(sourceOffset)%deltaState(1,constituent) = & damageState(phase)%p(sourceOffset)%deltaState(1,constituent) = &
strainenergy - sourceState(phase)%p(sourceOffset)%state(1,constituent) strainenergy - damageState(phase)%p(sourceOffset)%state(1,constituent)
else else
sourceState(phase)%p(sourceOffset)%deltaState(1,constituent) = & damageState(phase)%p(sourceOffset)%deltaState(1,constituent) = &
sourceState(phase)%p(sourceOffset)%subState0(1,constituent) - & damageState(phase)%p(sourceOffset)%subState0(1,constituent) - &
sourceState(phase)%p(sourceOffset)%state(1,constituent) damageState(phase)%p(sourceOffset)%state(1,constituent)
endif endif
end associate end associate
@ -158,8 +158,8 @@ module subroutine source_damage_isoBrittle_getRateAndItsTangent(localphiDot, dLo
associate(prm => param(source_damage_isoBrittle_instance(phase))) associate(prm => param(source_damage_isoBrittle_instance(phase)))
localphiDot = 1.0_pReal & localphiDot = 1.0_pReal &
- phi*sourceState(phase)%p(sourceOffset)%state(1,constituent) - phi*damageState(phase)%p(sourceOffset)%state(1,constituent)
dLocalphiDot_dPhi = - sourceState(phase)%p(sourceOffset)%state(1,constituent) dLocalphiDot_dPhi = - damageState(phase)%p(sourceOffset)%state(1,constituent)
end associate end associate
end subroutine source_damage_isoBrittle_getRateAndItsTangent end subroutine source_damage_isoBrittle_getRateAndItsTangent
@ -176,7 +176,7 @@ module subroutine source_damage_isoBrittle_results(phase,group)
integer :: o integer :: o
associate(prm => param(source_damage_isoBrittle_instance(phase)), & associate(prm => param(source_damage_isoBrittle_instance(phase)), &
stt => sourceState(phase)%p(source_damage_isoBrittle_offset(phase))%state) stt => damageState(phase)%p(source_damage_isoBrittle_offset(phase))%state)
outputsLoop: do o = 1,size(prm%output) outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o))) select case(trim(prm%output(o)))
case ('f_phi') case ('f_phi')

12
src/source_damage_isoDuctile.f90
View File

@ -78,9 +78,9 @@ module function source_damage_isoDuctile_init(source_length) result(mySources)
if (prm%gamma_crit <= 0.0_pReal) extmsg = trim(extmsg)//' gamma_crit' if (prm%gamma_crit <= 0.0_pReal) extmsg = trim(extmsg)//' gamma_crit'
Nconstituents=count(material_phaseAt==p) * discretization_nIPs Nconstituents=count(material_phaseAt==p) * discretization_nIPs
call constitutive_allocateState(sourceState(p)%p(sourceOffset),Nconstituents,1,1,0) call constitutive_allocateState(damageState(p)%p(sourceOffset),Nconstituents,1,1,0)
sourceState(p)%p(sourceOffset)%atol = src%get_asFloat('isoDuctile_atol',defaultVal=1.0e-3_pReal) damageState(p)%p(sourceOffset)%atol = src%get_asFloat('isoDuctile_atol',defaultVal=1.0e-3_pReal)
if(any(sourceState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isoductile_atol' if(any(damageState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isoductile_atol'
end associate end associate
@ -119,7 +119,7 @@ module subroutine source_damage_isoDuctile_dotState(co, ip, el)
damageOffset = material_homogenizationMemberAt(ip,el) damageOffset = material_homogenizationMemberAt(ip,el)
associate(prm => param(source_damage_isoDuctile_instance(phase))) associate(prm => param(source_damage_isoDuctile_instance(phase)))
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) = & damageState(phase)%p(sourceOffset)%dotState(1,constituent) = &
sum(plasticState(phase)%slipRate(:,constituent))/(damage(homog)%p(damageOffset)**prm%q)/prm%gamma_crit sum(plasticState(phase)%slipRate(:,constituent))/(damage(homog)%p(damageOffset)**prm%q)/prm%gamma_crit
end associate end associate
@ -145,7 +145,7 @@ module subroutine source_damage_isoDuctile_getRateAndItsTangent(localphiDot, dLo
sourceOffset = source_damage_isoDuctile_offset(phase) sourceOffset = source_damage_isoDuctile_offset(phase)
dLocalphiDot_dPhi = -sourceState(phase)%p(sourceOffset)%state(1,constituent) dLocalphiDot_dPhi = -damageState(phase)%p(sourceOffset)%state(1,constituent)
localphiDot = 1.0_pReal & localphiDot = 1.0_pReal &
+ dLocalphiDot_dPhi*phi + dLocalphiDot_dPhi*phi
@ -164,7 +164,7 @@ module subroutine source_damage_isoDuctile_results(phase,group)
integer :: o integer :: o
associate(prm => param(source_damage_isoDuctile_instance(phase)), & associate(prm => param(source_damage_isoDuctile_instance(phase)), &
stt => sourceState(phase)%p(source_damage_isoDuctile_offset(phase))%state) stt => damageState(phase)%p(source_damage_isoDuctile_offset(phase))%state)
outputsLoop: do o = 1,size(prm%output) outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o))) select case(trim(prm%output(o)))
case ('f_phi') case ('f_phi')

71
src/thermal_conduction.f90
View File

@ -10,6 +10,7 @@ module thermal_conduction
use results use results
use constitutive use constitutive
use YAML_types use YAML_types
use discretization
implicit none implicit none
private private
@ -24,7 +25,7 @@ module thermal_conduction
public :: & public :: &
thermal_conduction_init, & thermal_conduction_init, &
thermal_conduction_getSourceAndItsTangent, & thermal_conduction_getSource, &
thermal_conduction_getConductivity, & thermal_conduction_getConductivity, &
thermal_conduction_getSpecificHeat, & thermal_conduction_getSpecificHeat, &
thermal_conduction_getMassDensity, & thermal_conduction_getMassDensity, &
@ -38,25 +39,28 @@ contains
!> @brief module initialization !> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine thermal_conduction_init subroutine thermal_conduction_init(T)
integer :: Ninstances,Nmaterialpoints,h real(pReal), dimension(:), intent(inout) :: T
integer :: Ninstances,Nmaterialpoints,ho,ip,el,ce
class(tNode), pointer :: & class(tNode), pointer :: &
material_homogenization, & material_homogenization, &
homog, & homog, &
homogThermal homogThermal
print'(/,a)', ' <<<+- thermal_conduction init -+>>>'; flush(6) print'(/,a)', ' <<<+- thermal_conduction init -+>>>'; flush(6)
Ninstances = count(thermal_type == THERMAL_conduction_ID) Ninstances = count(thermal_type == THERMAL_conduction_ID)
allocate(param(Ninstances)) allocate(param(Ninstances))
material_homogenization => config_material%get('homogenization') material_homogenization => config_material%get('homogenization')
do h = 1, size(material_name_homogenization) do ho = 1, size(material_name_homogenization)
if (thermal_type(h) /= THERMAL_conduction_ID) cycle if (thermal_type(ho) /= THERMAL_conduction_ID) cycle
homog => material_homogenization%get(h) homog => material_homogenization%get(ho)
homogThermal => homog%get('thermal') homogThermal => homog%get('thermal')
associate(prm => param(thermal_typeInstance(h))) associate(prm => param(thermal_typeInstance(ho)))
#if defined (__GFORTRAN__) #if defined (__GFORTRAN__)
prm%output = output_asStrings(homogThermal) prm%output = output_asStrings(homogThermal)
@ -64,21 +68,30 @@ subroutine thermal_conduction_init
prm%output = homogThermal%get_asStrings('output',defaultVal=emptyStringArray) prm%output = homogThermal%get_asStrings('output',defaultVal=emptyStringArray)
#endif #endif
Nmaterialpoints=count(material_homogenizationAt==h) Nmaterialpoints=count(material_homogenizationAt==ho)
allocate (temperature (h)%p(Nmaterialpoints), source=thermal_initialT(h)) allocate (temperature (ho)%p(Nmaterialpoints), source=thermal_initialT(ho))
allocate (temperatureRate(h)%p(Nmaterialpoints), source=0.0_pReal) allocate (temperatureRate(ho)%p(Nmaterialpoints), source=0.0_pReal)
end associate end associate
enddo enddo
ce = 0
do el = 1, discretization_Nelems
do ip = 1, discretization_nIPs
ce = ce + 1
ho = material_homogenizationAt(el)
if (thermal_type(ho) == THERMAL_conduction_ID) T(ce) = thermal_initialT(ho)
enddo
enddo
end subroutine thermal_conduction_init end subroutine thermal_conduction_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief return heat generation rate !> @brief return heat generation rate
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine thermal_conduction_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el) subroutine thermal_conduction_getSource(Tdot, T,ip,el)
integer, intent(in) :: & integer, intent(in) :: &
ip, & !< integration point number ip, & !< integration point number
@ -86,20 +99,17 @@ subroutine thermal_conduction_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el)
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
T T
real(pReal), intent(out) :: & real(pReal), intent(out) :: &
Tdot, dTdot_dT Tdot
integer :: & integer :: &
homog homog
Tdot = 0.0_pReal
dTdot_dT = 0.0_pReal
homog = material_homogenizationAt(el) homog = material_homogenizationAt(el)
call constitutive_thermal_getRateAndItsTangents(TDot, dTDot_dT, T, crystallite_S,crystallite_Lp ,ip, el) call constitutive_thermal_getRate(TDot, T,ip,el)
Tdot = Tdot/real(homogenization_Nconstituents(homog),pReal) Tdot = Tdot/real(homogenization_Nconstituents(homog),pReal)
dTdot_dT = dTdot_dT/real(homogenization_Nconstituents(homog),pReal)
end subroutine thermal_conduction_getSourceAndItsTangent end subroutine thermal_conduction_getSource
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -112,14 +122,16 @@ function thermal_conduction_getConductivity(ip,el)
el !< element number el !< element number
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
thermal_conduction_getConductivity thermal_conduction_getConductivity
integer :: & integer :: &
grain co
thermal_conduction_getConductivity = 0.0_pReal thermal_conduction_getConductivity = 0.0_pReal
do grain = 1, homogenization_Nconstituents(material_homogenizationAt(el))
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
thermal_conduction_getConductivity = thermal_conduction_getConductivity + & thermal_conduction_getConductivity = thermal_conduction_getConductivity + &
crystallite_push33ToRef(grain,ip,el,lattice_K(:,:,material_phaseAt(grain,el))) crystallite_push33ToRef(co,ip,el,lattice_K(:,:,material_phaseAt(co,el)))
enddo enddo
thermal_conduction_getConductivity = thermal_conduction_getConductivity & thermal_conduction_getConductivity = thermal_conduction_getConductivity &
@ -138,14 +150,16 @@ function thermal_conduction_getSpecificHeat(ip,el)
el !< element number el !< element number
real(pReal) :: & real(pReal) :: &
thermal_conduction_getSpecificHeat thermal_conduction_getSpecificHeat
integer :: & integer :: &
grain co
thermal_conduction_getSpecificHeat = 0.0_pReal thermal_conduction_getSpecificHeat = 0.0_pReal
do grain = 1, homogenization_Nconstituents(material_homogenizationAt(el)) do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
thermal_conduction_getSpecificHeat = thermal_conduction_getSpecificHeat & thermal_conduction_getSpecificHeat = thermal_conduction_getSpecificHeat &
+ lattice_c_p(material_phaseAt(grain,el)) + lattice_c_p(material_phaseAt(co,el))
enddo enddo
thermal_conduction_getSpecificHeat = thermal_conduction_getSpecificHeat & thermal_conduction_getSpecificHeat = thermal_conduction_getSpecificHeat &
@ -164,15 +178,16 @@ function thermal_conduction_getMassDensity(ip,el)
el !< element number el !< element number
real(pReal) :: & real(pReal) :: &
thermal_conduction_getMassDensity thermal_conduction_getMassDensity
integer :: & integer :: &
grain co
thermal_conduction_getMassDensity = 0.0_pReal thermal_conduction_getMassDensity = 0.0_pReal
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
do grain = 1, homogenization_Nconstituents(material_homogenizationAt(el))
thermal_conduction_getMassDensity = thermal_conduction_getMassDensity & thermal_conduction_getMassDensity = thermal_conduction_getMassDensity &
+ lattice_rho(material_phaseAt(grain,el)) + lattice_rho(material_phaseAt(co,el))
enddo enddo
thermal_conduction_getMassDensity = thermal_conduction_getMassDensity & thermal_conduction_getMassDensity = thermal_conduction_getMassDensity &

26
src/thermal_isothermal.f90
View File

@ -6,6 +6,7 @@ module thermal_isothermal
use prec use prec
use config use config
use material use material
use discretization
implicit none implicit none
public public
@ -15,22 +16,33 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief allocates fields, reads information from material configuration file !> @brief allocates fields, reads information from material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine thermal_isothermal_init subroutine thermal_isothermal_init(T)
integer :: h,Nmaterialpoints real(pReal), dimension(:), intent(inout) :: T
integer :: Ninstances,Nmaterialpoints,ho,ip,el,ce
print'(/,a)', ' <<<+- thermal_isothermal init -+>>>'; flush(6) print'(/,a)', ' <<<+- thermal_isothermal init -+>>>'; flush(6)
do h = 1, size(material_name_homogenization) do ho = 1, size(thermal_type)
if (thermal_type(h) /= THERMAL_isothermal_ID) cycle if (thermal_type(ho) /= THERMAL_isothermal_ID) cycle
Nmaterialpoints = count(material_homogenizationAt == h) Nmaterialpoints = count(material_homogenizationAt == ho)
allocate(temperature (h)%p(Nmaterialpoints),source=thermal_initialT(h)) allocate(temperature (ho)%p(Nmaterialpoints),source=thermal_initialT(ho))
allocate(temperatureRate(h)%p(Nmaterialpoints),source = 0.0_pReal) allocate(temperatureRate(ho)%p(Nmaterialpoints),source = 0.0_pReal)
enddo enddo
ce = 0
do el = 1, discretization_Nelems
do ip = 1, discretization_nIPs
ce = ce + 1
ho = material_homogenizationAt(el)
if (thermal_type(ho) == THERMAL_isothermal_ID) T(ce) = thermal_initialT(ho)
enddo
enddo
end subroutine thermal_isothermal_init end subroutine thermal_isothermal_init
end module thermal_isothermal end module thermal_isothermal