instantaneous jumps in the state by constitutive_deltaState are now incorporated for all state integrators. still they (should) not influence the result, since all constitutive laws simply return zero for the deltaState
This commit is contained in:
Christoph Kords
parent
351c2c6e65
commit
abbae76c51
|
|
@ -39,9 +39,8 @@ private :: crystallite_integrateStateFPI, &
|
|||
crystallite_integrateStateEuler, &
|
||||
crystallite_integrateStateAdaptiveEuler, &
|
||||
crystallite_integrateStateRK4, &
|
||||
crystallite_integrateStateRKCK45, &
|
||||
crystallite_updateTemperature, &
|
||||
crystallite_updateState
|
||||
crystallite_integrateStateRKCK45
|
||||
|
||||
! ****************************************************************
|
||||
! *** General variables for the crystallite calculation ***
|
||||
! ****************************************************************
|
||||
|
|
@ -58,7 +57,6 @@ real(pReal), dimension (:,:,:), allocatable :: &
|
|||
crystallite_subdt, & ! substepped time increment of each grain
|
||||
crystallite_subFrac, & ! already calculated fraction of increment
|
||||
crystallite_subStep, & ! size of next integration step
|
||||
crystallite_statedamper, & ! damping for state update
|
||||
crystallite_Temperature, & ! Temp of each grain
|
||||
crystallite_partionedTemperature0, & ! Temp of each grain at start of homog inc
|
||||
crystallite_subTemperature0, & ! Temp of each grain at start of crystallite inc
|
||||
|
|
@ -219,7 +217,6 @@ allocate(crystallite_dt(gMax,iMax,eMax));
|
|||
allocate(crystallite_subdt(gMax,iMax,eMax)); crystallite_subdt = 0.0_pReal
|
||||
allocate(crystallite_subFrac(gMax,iMax,eMax)); crystallite_subFrac = 0.0_pReal
|
||||
allocate(crystallite_subStep(gMax,iMax,eMax)); crystallite_subStep = 0.0_pReal
|
||||
allocate(crystallite_statedamper(gMax,iMax,eMax)); crystallite_statedamper = 1.0_pReal
|
||||
allocate(crystallite_orientation(4,gMax,iMax,eMax)); crystallite_orientation = 0.0_pReal
|
||||
allocate(crystallite_orientation0(4,gMax,iMax,eMax)); crystallite_orientation0 = 0.0_pReal
|
||||
allocate(crystallite_rotation(4,gMax,iMax,eMax)); crystallite_rotation = 0.0_pReal
|
||||
|
|
@ -429,8 +426,7 @@ if (iand(debug_what(debug_crystallite), debug_levelBasic) /= 0_pInt) then
|
|||
write(6,'(a35,1x,7(i8,1x))') 'crystallite_subdt: ', shape(crystallite_subdt)
|
||||
write(6,'(a35,1x,7(i8,1x))') 'crystallite_subFrac: ', shape(crystallite_subFrac)
|
||||
write(6,'(a35,1x,7(i8,1x))') 'crystallite_subStep: ', shape(crystallite_subStep)
|
||||
write(6,'(a35,1x,7(i8,1x))') 'crystallite_stateDamper: ', shape(crystallite_stateDamper)
|
||||
write(6,'(a35,1x,7(i8,1x))') 'crystallite_localPlasticity: ', shape(crystallite_localPlasticity)
|
||||
write(6,'(a35,1x,7(i8,1x))') 'crystallite_localPlasticity: ', shape(crystallite_localPlasticity)
|
||||
write(6,'(a35,1x,7(i8,1x))') 'crystallite_requested: ', shape(crystallite_requested)
|
||||
write(6,'(a35,1x,7(i8,1x))') 'crystallite_todo: ', shape(crystallite_todo)
|
||||
write(6,'(a35,1x,7(i8,1x))') 'crystallite_converged: ', shape(crystallite_converged)
|
||||
|
|
@ -1041,6 +1037,8 @@ use constitutive, only: constitutive_sizeDotState, &
|
|||
constitutive_dotState, &
|
||||
constitutive_RK4dotState, &
|
||||
constitutive_collectDotState, &
|
||||
constitutive_deltaState, &
|
||||
constitutive_collectDeltaState, &
|
||||
constitutive_dotTemperature, &
|
||||
constitutive_microstructure
|
||||
|
||||
|
|
@ -1208,6 +1206,54 @@ do n = 1_pInt,4_pInt
|
|||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- delta state ---
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Temperature(g,i,e), g,i,e)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- update state ---
|
||||
|
||||
!$OMP DO PRIVATE(mySizeDotState)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
mySizeDotState = constitutive_sizeDotState(g,i,e)
|
||||
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) &
|
||||
+ constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
|
||||
#ifndef _OPENMP
|
||||
if (iand(debug_what(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
|
||||
.or. .not. iand(debug_what(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> update state at el ip g ',e,i,g
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> deltaState', constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
|
||||
write(6,*)
|
||||
endif
|
||||
#endif
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- update dependent states ---
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
|
||||
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- dot state and RK dot state---
|
||||
|
||||
|
|
@ -1294,6 +1340,8 @@ use constitutive, only: constitutive_sizeDotState, &
|
|||
constitutive_dotState, &
|
||||
constitutive_RKCK45dotState, &
|
||||
constitutive_collectDotState, &
|
||||
constitutive_deltaState, &
|
||||
constitutive_collectDeltaState, &
|
||||
constitutive_dotTemperature, &
|
||||
constitutive_microstructure
|
||||
|
||||
|
|
@ -1521,6 +1569,42 @@ do n = 1_pInt,5_pInt
|
|||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- delta state ---
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Temperature(g,i,e), g,i,e)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- update state ---
|
||||
|
||||
!$OMP DO PRIVATE(mySizeDotState)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
mySizeDotState = constitutive_sizeDotState(g,i,e)
|
||||
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) &
|
||||
+ constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- update dependent state ---
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
|
||||
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- dot state and RK dot state---
|
||||
#ifndef _OPENMP
|
||||
if (iand(debug_what(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
|
||||
|
|
@ -1687,19 +1771,10 @@ relTemperatureResiduum = 0.0_pReal
|
|||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
if (crystallite_integrateStress(g,i,e)) then
|
||||
crystallite_converged(g,i,e) = .true. ! ... converged per definitionem
|
||||
crystallite_todo(g,i,e) = .false. ! ... integration done
|
||||
if (iand(debug_what(debug_crystallite), debug_levelBasic) /= 0_pInt) then
|
||||
!$OMP CRITICAL (distributionState)
|
||||
debug_StateLoopDistribution(6,numerics_integrationMode) =&
|
||||
debug_StateLoopDistribution(6,numerics_integrationMode) + 1_pInt
|
||||
!$OMP END CRITICAL (distributionState)
|
||||
endif
|
||||
else
|
||||
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
|
||||
if (.not. crystallite_integrateStress(g,i,e)) then ! if broken ...
|
||||
if (.not. crystallite_localPlasticity(g,i,e)) then ! ... and non-local...
|
||||
!$OMP CRITICAL (checkTodo)
|
||||
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
|
||||
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
|
||||
!$OMP END CRITICAL (checkTodo)
|
||||
endif
|
||||
endif
|
||||
|
|
@ -1707,8 +1782,75 @@ relTemperatureResiduum = 0.0_pReal
|
|||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- DELTA STATE ---
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Temperature(g,i,e), g,i,e)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- UPDATE STATE ---
|
||||
|
||||
!$OMP DO PRIVATE(mySizeDotState)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
mySizeDotState = constitutive_sizeDotState(g,i,e)
|
||||
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) &
|
||||
+ constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
|
||||
#ifndef _OPENMP
|
||||
if (iand(debug_what(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
|
||||
.or. .not. iand(debug_what(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> update state at el ip g ',e,i,g
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> deltaState', constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
|
||||
write(6,*)
|
||||
endif
|
||||
#endif
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- UPDATE DEPENDENT STATES ---
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
|
||||
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- SET CONVERGENCE FLAG ---
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
crystallite_converged(g,i,e) = .true. ! if still "to do" then converged per definitionem
|
||||
crystallite_todo(g,i,e) = .false. ! ... integration done
|
||||
if (iand(debug_what(debug_crystallite), debug_levelBasic) /= 0_pInt) then
|
||||
!$OMP CRITICAL (distributionState)
|
||||
debug_StateLoopDistribution(6,numerics_integrationMode) = &
|
||||
debug_StateLoopDistribution(6,numerics_integrationMode) + 1_pInt
|
||||
!$OMP END CRITICAL (distributionState)
|
||||
endif
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
!$OMP END PARALLEL
|
||||
|
||||
|
||||
! --- nonlocal convergence check ---
|
||||
|
||||
#ifndef _OPENMP
|
||||
|
|
@ -1760,7 +1902,9 @@ use constitutive, only: constitutive_sizeDotState, &
|
|||
constitutive_aTolState, &
|
||||
constitutive_subState0, &
|
||||
constitutive_dotState, &
|
||||
constitutive_deltaState, &
|
||||
constitutive_collectDotState, &
|
||||
constitutive_collectDeltaState, &
|
||||
constitutive_dotTemperature, &
|
||||
constitutive_microstructure
|
||||
|
||||
|
|
@ -1891,34 +2035,86 @@ endif
|
|||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- DOT STATE AND TEMPERATURE (HEUN METHOD) ---
|
||||
if (numerics_integrationMode < 2) then
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, crystallite_Fp, &
|
||||
crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_orientation, g,i,e)
|
||||
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e), &
|
||||
crystallite_Temperature(g,i,e),g,i,e)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
if ( any(constitutive_dotState(g,i,e)%p /= constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
|
||||
.or. crystallite_dotTemperature(g,i,e) /= crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
|
||||
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
|
||||
!$OMP CRITICAL (checkTodo)
|
||||
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
|
||||
!$OMP END CRITICAL (checkTodo)
|
||||
else ! if broken local...
|
||||
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
|
||||
! --- DELTA STATE (EULER INTEGRATION) ---
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Temperature(g,i,e), g,i,e)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- UPDATE STATE (EULER INTEGRATION) ---
|
||||
|
||||
!$OMP DO PRIVATE(mySizeDotState)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
mySizeDotState = constitutive_sizeDotState(g,i,e)
|
||||
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) &
|
||||
+ constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
|
||||
#ifndef _OPENMP
|
||||
if (iand(debug_what(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
|
||||
.or. .not. iand(debug_what(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> update state at el ip g ',e,i,g
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> deltaState', constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
|
||||
write(6,*)
|
||||
endif
|
||||
endif
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
#endif
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- UPDATE DEPENDENT STATES (EULER INTEGRATION) ---
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
|
||||
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- DOT STATE AND TEMPERATURE (HEUN METHOD) ---
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, crystallite_Fp, &
|
||||
crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_orientation, g,i,e)
|
||||
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e), &
|
||||
crystallite_Temperature(g,i,e),g,i,e)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
if ( any(constitutive_dotState(g,i,e)%p /= constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
|
||||
.or. crystallite_dotTemperature(g,i,e) /= crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
|
||||
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
|
||||
!$OMP CRITICAL (checkTodo)
|
||||
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
|
||||
!$OMP END CRITICAL (checkTodo)
|
||||
else ! if broken local...
|
||||
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
|
||||
endif
|
||||
endif
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
endif
|
||||
|
||||
|
||||
! --- ERROR ESTIMATE FOR STATE AND TEMPERATURE (HEUN METHOD) ---
|
||||
|
|
@ -1976,7 +2172,8 @@ relTemperatureResiduum = 0.0_pReal
|
|||
crystallite_todo(g,i,e) = .false. ! ... integration done
|
||||
if (iand(debug_what(debug_crystallite), debug_levelBasic) /= 0_pInt) then
|
||||
!$OMP CRITICAL (distributionState)
|
||||
debug_StateLoopDistribution(2,numerics_integrationMode) = debug_StateLoopDistribution(2,numerics_integrationMode) + 1
|
||||
debug_StateLoopDistribution(2,numerics_integrationMode) = &
|
||||
debug_StateLoopDistribution(2,numerics_integrationMode) + 1_pInt
|
||||
!$OMP END CRITICAL (distributionState)
|
||||
endif
|
||||
endif
|
||||
|
|
@ -2007,7 +2204,17 @@ end subroutine crystallite_integrateStateAdaptiveEuler
|
|||
|
||||
!********************************************************************
|
||||
! integrate stress, state and Temperature with
|
||||
! 1st order explicit Euler method
|
||||
! 1st order explicit Euler method:
|
||||
! - calculate evolution rate of the state according to applied stress
|
||||
! and initial state
|
||||
! - integrate evolution rates over time step giving rise to new
|
||||
! "intermediate" state
|
||||
! - update dependent state variables
|
||||
! - integrate stress to be consistent with state
|
||||
! - calculate jumps in the state according to applied new stress
|
||||
! and intermediate state
|
||||
! - add the jumps to the intermediate state and get final state
|
||||
! - update dependent state variables
|
||||
!********************************************************************
|
||||
subroutine crystallite_integrateStateEuler(gg,ii,ee)
|
||||
|
||||
|
|
@ -2031,7 +2238,9 @@ use constitutive, only: constitutive_sizeDotState, &
|
|||
constitutive_state, &
|
||||
constitutive_subState0, &
|
||||
constitutive_dotState, &
|
||||
constitutive_deltaState, &
|
||||
constitutive_collectDotState, &
|
||||
constitutive_collectDeltaState, &
|
||||
constitutive_dotTemperature, &
|
||||
constitutive_microstructure
|
||||
|
||||
|
|
@ -2066,9 +2275,9 @@ else
|
|||
endif
|
||||
|
||||
|
||||
!$OMP PARALLEL PRIVATE(mySizeDotState)
|
||||
!$OMP PARALLEL
|
||||
|
||||
if (numerics_integrationMode < 2) then
|
||||
if (numerics_integrationMode < 2) then ! in stiffness calculation mode we do not need to do the state integration again, since this is not influenced by a small perturbation in F
|
||||
|
||||
! --- DOT STATE AND TEMPERATURE ---
|
||||
|
||||
|
|
@ -2102,7 +2311,7 @@ if (numerics_integrationMode < 2) then
|
|||
|
||||
! --- UPDATE STATE AND TEMPERATURE ---
|
||||
|
||||
!$OMP DO
|
||||
!$OMP DO PRIVATE(mySizeDotState)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
mySizeDotState = constitutive_sizeDotState(g,i,e)
|
||||
|
|
@ -2111,11 +2320,10 @@ if (numerics_integrationMode < 2) then
|
|||
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
|
||||
+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
|
||||
#ifndef _OPENMP
|
||||
|
||||
if (iand(debug_what(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
|
||||
.or. .not. iand(debug_what(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> updateState at el ip g ',e,i,g
|
||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> update state at el ip g ',e,i,g
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> dotState', constitutive_dotState(g,i,e)%p(1:mySizeDotState)
|
||||
write(6,*)
|
||||
|
|
@ -2147,14 +2355,7 @@ endif
|
|||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
if (crystallite_integrateStress(g,i,e)) then
|
||||
crystallite_converged(g,i,e) = .true.
|
||||
if (iand(debug_what(debug_crystallite), debug_levelBasic) /= 0_pInt) then
|
||||
!$OMP CRITICAL (distributionState)
|
||||
debug_StateLoopDistribution(1,numerics_integrationMode) = debug_StateLoopDistribution(1,numerics_integrationMode) + 1
|
||||
!$OMP END CRITICAL (distributionState)
|
||||
endif
|
||||
else ! broken stress integration
|
||||
if (.not. crystallite_integrateStress(g,i,e)) then ! broken stress integration
|
||||
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
|
||||
!$OMP CRITICAL (checkTodo)
|
||||
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
|
||||
|
|
@ -2165,12 +2366,81 @@ endif
|
|||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
if (numerics_integrationMode < 2) then ! in stiffness calculation mode we do not need to do the state integration again, since this is not influenced by a small perturbation in F
|
||||
|
||||
! --- DELTA STATE ---
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Temperature(g,i,e), g,i,e)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- UPDATE STATE ---
|
||||
|
||||
!$OMP DO PRIVATE(mySizeDotState)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
mySizeDotState = constitutive_sizeDotState(g,i,e)
|
||||
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) &
|
||||
+ constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
|
||||
#ifndef _OPENMP
|
||||
if (iand(debug_what(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
|
||||
.or. .not. iand(debug_what(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> update state at el ip g ',e,i,g
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> deltaState', constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
|
||||
write(6,*)
|
||||
endif
|
||||
#endif
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- UPDATE DEPENDENT STATES ---
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
|
||||
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
endif
|
||||
|
||||
|
||||
! --- SET CONVERGENCE FLAG ---
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
crystallite_converged(g,i,e) = .true. ! if still "to do" then converged per definitionem
|
||||
crystallite_todo(g,i,e) = .false. ! done with integration
|
||||
if (iand(debug_what(debug_crystallite), debug_levelBasic) /= 0_pInt) then
|
||||
!$OMP CRITICAL (distributionState)
|
||||
debug_StateLoopDistribution(1,numerics_integrationMode) = &
|
||||
debug_StateLoopDistribution(1,numerics_integrationMode) + 1_pInt
|
||||
!$OMP END CRITICAL (distributionState)
|
||||
endif
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
!$OMP END PARALLEL
|
||||
|
||||
|
||||
! --- CHECK NON-LOCAL CONVERGENCE ---
|
||||
|
||||
crystallite_todo = .false. ! done with integration
|
||||
if (.not. singleRun) then ! if not requesting Integration of just a single IP
|
||||
if (any(.not. crystallite_converged .and. .not. crystallite_localPlasticity)) then ! any non-local not yet converged (or broken)...
|
||||
crystallite_converged = crystallite_converged .and. crystallite_localPlasticity ! ...restart all non-local as not converged
|
||||
|
|
@ -2189,24 +2459,37 @@ end subroutine crystallite_integrateStateEuler
|
|||
subroutine crystallite_integrateStateFPI(gg,ii,ee)
|
||||
|
||||
!*** variables and functions from other modules ***!
|
||||
use debug, only: debug_what,&
|
||||
use debug, only: debug_e, &
|
||||
debug_i, &
|
||||
debug_g, &
|
||||
debug_what,&
|
||||
debug_crystallite, &
|
||||
debug_levelBasic, &
|
||||
debug_levelExtensive, &
|
||||
debug_levelSelective, &
|
||||
debug_StateLoopDistribution
|
||||
use numerics, only: nState, &
|
||||
numerics_integrationMode
|
||||
numerics_integrationMode, &
|
||||
rTol_crystalliteState, &
|
||||
rTol_crystalliteTemperature
|
||||
use FEsolving, only: FEsolving_execElem, &
|
||||
FEsolving_execIP
|
||||
use mesh, only: mesh_element, &
|
||||
mesh_NcpElems
|
||||
use material, only: homogenization_Ngrains
|
||||
use constitutive, only: constitutive_dotState, &
|
||||
use constitutive, only: constitutive_subState0, &
|
||||
constitutive_state, &
|
||||
constitutive_sizeDotState, &
|
||||
constitutive_maxSizeDotState, &
|
||||
constitutive_dotState, &
|
||||
constitutive_deltaState, &
|
||||
constitutive_collectDotState, &
|
||||
constitutive_collectDeltaState, &
|
||||
constitutive_dotTemperature, &
|
||||
constitutive_microstructure, &
|
||||
constitutive_previousDotState, &
|
||||
constitutive_previousDotState2
|
||||
constitutive_previousDotState2, &
|
||||
constitutive_aTolState
|
||||
|
||||
implicit none
|
||||
|
||||
|
|
@ -2221,17 +2504,18 @@ integer(pInt), optional, intent(in):: ee, & ! elemen
|
|||
integer(pInt) NiterationState, & ! number of iterations in state loop
|
||||
e, & ! element index in element loop
|
||||
i, & ! integration point index in ip loop
|
||||
g ! grain index in grain loop
|
||||
g, & ! grain index in grain loop
|
||||
mySizeDotState
|
||||
integer(pInt), dimension(2) :: eIter ! bounds for element iteration
|
||||
integer(pInt), dimension(2,mesh_NcpElems) :: iIter, & ! bounds for ip iteration
|
||||
gIter ! bounds for grain iteration
|
||||
real(pReal) dot_prod12, &
|
||||
dot_prod22
|
||||
logical singleRun, & ! flag indicating computation for single (g,i,e) triple
|
||||
stateConverged, & ! flag indicating convergence of state integration
|
||||
temperatureConverged, & ! flag indicating convergence of temperature integration
|
||||
stateUpdateDone, & ! flag indicating successfull state update
|
||||
temperatureUpdateDone ! flag indicating successfull temperature update
|
||||
dot_prod22, &
|
||||
stateDamper, & ! damper for integration of state
|
||||
temperatureResiduum
|
||||
real(pReal), dimension(constitutive_maxSizeDotState) :: &
|
||||
stateResiduum
|
||||
logical singleRun ! flag indicating computation for single (g,i,e) triple
|
||||
|
||||
|
||||
if (present(ee) .and. present(ii) .and. present(gg)) then
|
||||
|
|
@ -2268,28 +2552,39 @@ endif
|
|||
if (crystallite_todo(g,i,e)) then
|
||||
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, crystallite_Fp, &
|
||||
crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_orientation, g,i,e)
|
||||
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e), &
|
||||
crystallite_Temperature(g,i,e),g,i,e)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
|
||||
.or. crystallite_dotTemperature(g,i,e)/=crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
|
||||
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
|
||||
!$OMP CRITICAL (checkTodo)
|
||||
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
|
||||
!$OMP END CRITICAL (checkTodo)
|
||||
else ! if broken local...
|
||||
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
|
||||
endif
|
||||
endif
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- STATE & TEMPERATURE UPDATE ---
|
||||
! --- UPDATE STATE AND TEMPERATURE ---
|
||||
|
||||
!$OMP SINGLE
|
||||
crystallite_statedamper = 1.0_pReal
|
||||
!$OMP END SINGLE
|
||||
!$OMP DO PRIVATE(stateUpdateDone,temperatureUpdateDone,stateConverged,temperatureConverged)
|
||||
!$OMP DO PRIVATE(mySizeDotState)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
call crystallite_updateState(stateUpdateDone, stateConverged, g,i,e) ! update state
|
||||
call crystallite_updateTemperature(temperatureUpdateDone, temperatureConverged, g,i,e) ! update temperature
|
||||
crystallite_todo(g,i,e) = stateUpdateDone .and. temperatureUpdateDone
|
||||
if ( (.not. stateUpdateDone .or. .not. temperatureUpdateDone) &
|
||||
.and. .not. crystallite_localPlasticity(g,i,e) ) then ! if updateState or updateTemperature signals broken non-local...
|
||||
!$OMP CRITICAL (checkTodo)
|
||||
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
|
||||
!$OMP END CRITICAL (checkTodo)
|
||||
endif
|
||||
mySizeDotState = constitutive_sizeDotState(g,i,e)
|
||||
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_subState0(g,i,e)%p(1:mySizeDotState) &
|
||||
+ constitutive_dotState(g,i,e)%p * crystallite_subdt(g,i,e)
|
||||
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
|
||||
+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
|
@ -2345,25 +2640,88 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
|
|||
#endif
|
||||
|
||||
|
||||
! --- DOT STATES ---
|
||||
|
||||
! --- DELTA STATE ---
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, crystallite_Fp, &
|
||||
crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_orientation, g,i,e)
|
||||
call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Temperature(g,i,e), g,i,e)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- STATE & TEMPERATURE UPDATE ---
|
||||
! --- UPDATE STATE ---
|
||||
|
||||
!$OMP SINGLE
|
||||
crystallite_statedamper = 1.0_pReal
|
||||
!$OMP END SINGLE
|
||||
!$OMP DO PRIVATE(dot_prod12,dot_prod22,stateUpdateDone,temperatureUpdateDone,stateConverged,temperatureConverged)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
!$OMP DO PRIVATE(mySizeDotState)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
mySizeDotState = constitutive_sizeDotState(g,i,e)
|
||||
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_subState0(g,i,e)%p(1:mySizeDotState) &
|
||||
+ constitutive_deltaState(g,i,e)%p
|
||||
#ifndef _OPENMP
|
||||
if (iand(debug_what(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
|
||||
.or. .not. iand(debug_what(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> update state at el ip g ',e,i,g
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> deltaState', constitutive_deltaState(g,i,e)%p
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
|
||||
write(6,*)
|
||||
endif
|
||||
#endif
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- UPDATE DEPENDENT STATES ---
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
|
||||
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- DOT STATE AND TEMPERATURE ---
|
||||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, crystallite_Fp, &
|
||||
crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_orientation, g,i,e)
|
||||
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e), &
|
||||
crystallite_Temperature(g,i,e),g,i,e)
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
if ( any(constitutive_dotState(g,i,e)%p/=constitutive_dotState(g,i,e)%p) & ! NaN occured in dotState
|
||||
.or. crystallite_dotTemperature(g,i,e)/=crystallite_dotTemperature(g,i,e) ) then ! NaN occured in dotTemperature
|
||||
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
|
||||
!$OMP CRITICAL (checkTodo)
|
||||
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
|
||||
!$OMP END CRITICAL (checkTodo)
|
||||
else ! if broken local...
|
||||
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
|
||||
endif
|
||||
endif
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
||||
|
||||
! --- UPDATE STATE AND TEMPERATURE ---
|
||||
|
||||
!$OMP DO PRIVATE(dot_prod12,dot_prod22,statedamper,mySizeDotState,stateResiduum,temperatureResiduum)
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
|
||||
! --- state damper ---
|
||||
|
|
@ -2375,22 +2733,55 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
|
|||
if ( dot_prod22 > 0.0_pReal &
|
||||
.and. ( dot_prod12 < 0.0_pReal &
|
||||
.or. dot_product(constitutive_dotState(g,i,e)%p, constitutive_previousDotState(g,i,e)%p) < 0.0_pReal) ) then
|
||||
crystallite_statedamper(g,i,e) = 0.75_pReal + 0.25_pReal * tanh(2.0_pReal + 4.0_pReal * dot_prod12 / dot_prod22)
|
||||
!$OMP FLUSH(crystallite_statedamper)
|
||||
statedamper = 0.75_pReal + 0.25_pReal * tanh(2.0_pReal + 4.0_pReal * dot_prod12 / dot_prod22)
|
||||
endif
|
||||
|
||||
! --- updates ---
|
||||
! --- get residui ---
|
||||
|
||||
call crystallite_updateState(stateUpdateDone, stateConverged, g,i,e) ! update state
|
||||
call crystallite_updateTemperature(temperatureUpdateDone, temperatureConverged, g,i,e) ! update temperature
|
||||
crystallite_todo(g,i,e) = stateUpdateDone .and. temperatureUpdateDone
|
||||
crystallite_converged(g,i,e) = stateConverged .and. temperatureConverged
|
||||
if ( (.not. stateUpdateDone .or. .not. temperatureUpdateDone) &
|
||||
.and. .not. crystallite_localPlasticity(g,i,e) ) then ! if updateState or updateTemperature signals broken non-local...
|
||||
!$OMP CRITICAL (checkTodo)
|
||||
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
|
||||
!$OMP END CRITICAL (checkTodo)
|
||||
elseif (stateConverged .and. temperatureConverged) then ! check (private) logicals "stateConverged" and "temperatureConverged" instead of (shared) "crystallite_converged", so no need to flush the "crystallite_converged" array
|
||||
mySizeDotState = constitutive_sizeDotState(g,i,e)
|
||||
stateResiduum(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) &
|
||||
- constitutive_subState0(g,i,e)%p(1:mySizeDotState) &
|
||||
- (constitutive_dotState(g,i,e)%p * statedamper &
|
||||
+ constitutive_previousDotState(g,i,e)%p * (1.0_pReal - statedamper)) * crystallite_subdt(g,i,e)
|
||||
temperatureResiduum = crystallite_Temperature(g,i,e) &
|
||||
- crystallite_subTemperature0(g,i,e) &
|
||||
- crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e)
|
||||
|
||||
! --- correct state and temperature with residuum ---
|
||||
|
||||
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) &
|
||||
- stateResiduum(1:mySizeDotState) &
|
||||
+ constitutive_deltaState(g,i,e)%p
|
||||
crystallite_Temperature(g,i,e) = crystallite_Temperature(g,i,e) - temperatureResiduum
|
||||
#ifndef _OPENMP
|
||||
if (iand(debug_what(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
|
||||
.or. .not. iand(debug_what(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> update state at el ip g ',e,i,g
|
||||
write(6,*)
|
||||
write(6,'(a,f6.1)') '<< CRYST >> statedamper ',statedamper
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> state residuum',stateResiduum(1:mySizeDotState)
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> new state',constitutive_state(g,i,e)%p(1:mySizeDotState)
|
||||
write(6,*)
|
||||
endif
|
||||
#endif
|
||||
|
||||
! --- store corrected dotState --- (cannot do this before state update, because not sure how to flush pointers in openmp)
|
||||
|
||||
constitutive_dotState(g,i,e)%p = constitutive_dotState(g,i,e)%p * statedamper &
|
||||
+ constitutive_previousDotState(g,i,e)%p * (1.0_pReal - statedamper)
|
||||
|
||||
! --- converged ? ---
|
||||
|
||||
if ( all( abs(stateResiduum(1:mySizeDotState)) < constitutive_aTolState(g,i,e)%p(1:mySizeDotState) &
|
||||
.or. abs(stateResiduum(1:mySizeDotState)) < rTol_crystalliteState &
|
||||
* abs(constitutive_state(g,i,e)%p(1:mySizeDotState)) ) &
|
||||
.and. (abs(temperatureResiduum) < rTol_crystalliteTemperature * crystallite_Temperature(g,i,e) &
|
||||
.or. crystallite_Temperature(g,i,e) == 0.0_pReal) ) then
|
||||
crystallite_converged(g,i,e) = .true. ! ... converged per definitionem
|
||||
crystallite_todo(g,i,e) = .false. ! ... integration done
|
||||
if (iand(debug_what(debug_crystallite), debug_levelBasic) /= 0_pInt) then
|
||||
!$OMP CRITICAL (distributionState)
|
||||
debug_StateLoopDistribution(NiterationState,numerics_integrationMode) = &
|
||||
|
|
@ -2398,6 +2789,7 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
|
|||
!$OMP END CRITICAL (distributionState)
|
||||
endif
|
||||
endif
|
||||
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP ENDDO
|
||||
|
|
@ -2427,7 +2819,7 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
|
|||
#endif
|
||||
|
||||
|
||||
! --- CONVERGENCE CHECK ---
|
||||
! --- NON-LOCAL CONVERGENCE CHECK ---
|
||||
|
||||
if (.not. singleRun) then ! if not requesting Integration of just a single IP
|
||||
if (any(.not. crystallite_converged .and. .not. crystallite_localPlasticity)) then ! any non-local not yet converged (or broken)...
|
||||
|
|
@ -2451,168 +2843,6 @@ end subroutine crystallite_integrateStateFPI
|
|||
|
||||
|
||||
|
||||
!********************************************************************
|
||||
! update the internal state of the constitutive law
|
||||
! and tell whether state has converged
|
||||
!********************************************************************
|
||||
subroutine crystallite_updateState(done, converged, g, i, e)
|
||||
|
||||
!*** variables and functions from other modules ***!
|
||||
use numerics, only: rTol_crystalliteState
|
||||
use constitutive, only: constitutive_dotState, &
|
||||
constitutive_previousDotState, &
|
||||
constitutive_sizeDotState, &
|
||||
constitutive_subState0, &
|
||||
constitutive_state, &
|
||||
constitutive_aTolState, &
|
||||
constitutive_microstructure
|
||||
use debug, only: debug_what, &
|
||||
debug_crystallite, &
|
||||
debug_levelBasic, &
|
||||
debug_levelExtensive, &
|
||||
debug_levelSelective, &
|
||||
debug_e, &
|
||||
debug_i, &
|
||||
debug_g
|
||||
|
||||
!*** input variables ***!
|
||||
integer(pInt), intent(in):: e, & ! element index
|
||||
i, & ! integration point index
|
||||
g ! grain index
|
||||
|
||||
!*** output variables ***!
|
||||
logical, intent(out) :: converged, & ! flag indicating if state converged
|
||||
done ! flag indicating if state was updated
|
||||
|
||||
!*** local variables ***!
|
||||
real(pReal), dimension(constitutive_sizeDotState(g,i,e)) :: &
|
||||
residuum, & ! residuum from evolution of microstructure
|
||||
dotState, & ! local copy of dotState
|
||||
state ! local copy of relevant part of state
|
||||
integer(pInt) mySize
|
||||
|
||||
|
||||
!* start out as not done and not converged
|
||||
!* and make local copies of state and dotState (needed for parallelization, since no chance of flushing a pointer)
|
||||
|
||||
done = .false.
|
||||
converged = .false.
|
||||
mySize = constitutive_sizeDotState(g,i,e)
|
||||
dotState(1:mySize) = constitutive_dotState(g,i,e)%p(1:mySize)
|
||||
state(1:mySize) = constitutive_state(g,i,e)%p(1:mySize)
|
||||
|
||||
|
||||
!* correct dotState, calculate residuum and check if it is valid
|
||||
|
||||
dotState(1:mySize) = constitutive_dotState(g,i,e)%p(1:mySize) * crystallite_statedamper(g,i,e) &
|
||||
+ constitutive_previousDotState(g,i,e)%p(1:mySize) * (1.0_pReal - crystallite_statedamper(g,i,e))
|
||||
residuum = constitutive_state(g,i,e)%p(1:mySize) - constitutive_subState0(g,i,e)%p(1:mySize) &
|
||||
- dotState(1:mySize) * crystallite_subdt(g,i,e)
|
||||
if (any(residuum /= residuum)) then ! if NaN occured then return without changing the state
|
||||
#ifndef _OPENMP
|
||||
if (iand(debug_what(debug_crystallite), debug_levelBasic) /= 0_pInt) then
|
||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> updateState encountered NaN at el ip g ',e,i,g
|
||||
endif
|
||||
#endif
|
||||
return
|
||||
endif
|
||||
|
||||
|
||||
!* update state and set convergence flag to true if residuum is below relative/absolute tolerance, otherwise set it to false
|
||||
|
||||
state(1:mySize) = state(1:mySize) - residuum
|
||||
done = .true.
|
||||
converged = all( abs(residuum) < constitutive_aTolState(g,i,e)%p(1:mySize) &
|
||||
.or. abs(residuum) < rTol_crystalliteState * abs(state(1:mySize)) )
|
||||
|
||||
#ifndef _OPENMP
|
||||
if (iand(debug_what(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
|
||||
.or. .not. iand(debug_what(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
||||
if (converged) then
|
||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> updateState converged at el ip g ',e,i,g
|
||||
else
|
||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> updateState did not converge at el ip g ',e,i,g
|
||||
endif
|
||||
write(6,*)
|
||||
write(6,'(a,f6.1)') '<< CRYST >> crystallite_statedamper ',crystallite_statedamper(g,i,e)
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> dotState',dotState(1:mySize)
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> new state',state(1:mySize)
|
||||
write(6,*)
|
||||
endif
|
||||
#endif
|
||||
|
||||
|
||||
!* sync global state and dotState with local copies
|
||||
|
||||
constitutive_dotState(g,i,e)%p(1:mySize) = dotState(1:mySize)
|
||||
constitutive_state(g,i,e)%p(1:mySize) = state(1:mySize)
|
||||
|
||||
end subroutine crystallite_updateState
|
||||
|
||||
|
||||
|
||||
!********************************************************************
|
||||
! update the temperature of the grain
|
||||
! and tell whether it has converged
|
||||
!********************************************************************
|
||||
subroutine crystallite_updateTemperature(done, converged, g, i, e)
|
||||
|
||||
!*** variables and functions from other modules ***!
|
||||
use numerics, only: rTol_crystalliteTemperature
|
||||
use constitutive, only: constitutive_dotTemperature
|
||||
use debug, only: debug_what, &
|
||||
debug_crystallite, &
|
||||
debug_levelBasic
|
||||
!*** input variables ***!
|
||||
integer(pInt), intent(in):: e, & ! element index
|
||||
i, & ! integration point index
|
||||
g ! grain index
|
||||
|
||||
!*** output variables ***!
|
||||
logical, intent(out) :: converged, & ! flag indicating if temperature converged
|
||||
done ! flag indicating if temperature was updated
|
||||
|
||||
!*** local variables ***!
|
||||
real(pReal) residuum ! residuum from evolution of temperature
|
||||
|
||||
|
||||
!* start out as not done and not converged
|
||||
|
||||
done = .false.
|
||||
converged = .false.
|
||||
|
||||
|
||||
!* correct dotState, calculate residuum and check if it is valid
|
||||
!* (if NaN occured then return without changing the temperature)
|
||||
|
||||
residuum = crystallite_Temperature(g,i,e) - crystallite_subTemperature0(g,i,e) &
|
||||
- constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e),crystallite_Temperature(g,i,e),g,i,e) &
|
||||
* crystallite_subdt(g,i,e)
|
||||
if (residuum /= residuum) then
|
||||
#ifndef _OPENMP
|
||||
if (iand(debug_what(debug_crystallite), debug_levelBasic) /= 0_pInt) then
|
||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> updateTemperature encountered NaN at el ip g ',e,i,g
|
||||
endif
|
||||
#endif
|
||||
return
|
||||
endif
|
||||
|
||||
|
||||
!* update temperature and set convergence flag to true if residuum is below relative tolerance (or zero Kelvin), otherwise set it to false
|
||||
|
||||
crystallite_Temperature(g,i,e) = crystallite_Temperature(g,i,e) - residuum
|
||||
done = .true.
|
||||
!$OMP FLUSH(crystallite_Temperature)
|
||||
converged = ( crystallite_Temperature(g,i,e) == 0.0_pReal &
|
||||
.or. abs(residuum) < rTol_crystalliteTemperature * crystallite_Temperature(g,i,e))
|
||||
|
||||
end subroutine crystallite_updateTemperature
|
||||
|
||||
|
||||
|
||||
!***********************************************************************
|
||||
!*** calculation of stress (P) with time integration ***
|
||||
!*** based on a residuum in Lp and intermediate ***
|
||||
|
|
|
|||
Loading…
Reference in New Issue