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DAMASK_EICMD
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new function stateJump, which takes care of immediate changes in the state (deltaState); this introduces discontinuities in the state evolution; therefore this is always and only once done after each integration step, so no evaluation of deltaState for intermediate steps of e.g. the Runge-Kutta integrator; otherwise integration becomes a pain without significant gain in accuracy 

deltaState now successfully tested for nonlocal model; was not correct for integrators 1,4,5 before
This commit is contained in:
Christoph Kords 2012-06-06 15:11:30 +00:00
parent 9bbdf32365
commit fc7b4d6471
1 changed files with 202 additions and 338 deletions
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536
code/crystallite.f90
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@ -39,7 +39,9 @@ private :: crystallite_integrateStateFPI, &
crystallite_integrateStateEuler, &
crystallite_integrateStateAdaptiveEuler, &
crystallite_integrateStateRK4, &
crystallite_integrateStateRKCK45
crystallite_integrateStateRKCK45, &
crystallite_integrateStress, &
crystallite_stateJump
! ****************************************************************
! *** General variables for the crystallite calculation ***
@ -1146,6 +1148,21 @@ do n = 1_pInt,4_pInt
+ constitutive_dotState(g,i,e)%p(1:mySizeDotState) * crystallite_subdt(g,i,e) * timeStepFraction(n)
crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e) * timeStepFraction(n)
if (n == 4) then ! final integration step
#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
mySizeDotState = constitutive_sizeDotState(g,i,e)
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> updateState 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,*)
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
write(6,*)
endif
#endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
@ -1168,32 +1185,7 @@ do n = 1_pInt,4_pInt
!$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,timeStepFraction(n))) then ! fraction of original times step
if (n == 4) then ! final integration step
#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
mySizeDotState = constitutive_sizeDotState(g,i,e)
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> updateState 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,*)
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
write(6,*)
endif
#endif
crystallite_converged(g,i,e) = .true. ! ... converged per definition
crystallite_todo(g,i,e) = .false. ! ... integration done
if (iand(debug_what(debug_crystallite), debug_levelBasic) /= 0_pInt) then
!$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(n,numerics_integrationMode) = &
debug_StateLoopDistribution(n,numerics_integrationMode) + 1
!$OMP END CRITICAL (distributionState)
endif
endif
else ! broken stress integration
if (.not. crystallite_integrateStress(g,i,e,timeStepFraction(n))) then ! fraction of original times step
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
@ -1207,54 +1199,6 @@ do n = 1_pInt,4_pInt
!$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 ---
!$OMP DO PRIVATE(mySizeDotState)
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
mySizeDotState = constitutive_sizeDotState(g,i,e)
constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) &
+ constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
#ifndef _OPENMP
if (iand(debug_what(debug_crystallite), debug_levelExtensive) /= 0_pInt &
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
.or. .not. iand(debug_what(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> update state at el ip g ',e,i,g
write(6,*)
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> deltaState', constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
write(6,*)
write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
write(6,*)
endif
#endif
endif
enddo; enddo; enddo
!$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---
if (n < 4) then
@ -1289,12 +1233,48 @@ do n = 1_pInt,4_pInt
enddo
! --- STATE JUMP ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e) .and. crystallite_converged(g,i,e)) then
if (.not. crystallite_stateJump(g,i,e)) then
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
else ! broken local ...
crystallite_todo(g,i,e) = .false. ! ... skip this one next time
endif
endif
endif
enddo; enddo; enddo
!$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
!$OMP END PARALLEL
! --- CHECK CONVERGENCE ---
! --- CHECK NONLOCAL CONVERGENCE ---
crystallite_todo = .false. ! done with integration
if (.not. singleRun) then ! if not requesting Integration of just a single IP
if (any(.not. crystallite_converged .and. .not. crystallite_localPlasticity)) then ! any non-local not yet converged (or broken)...
crystallite_converged = crystallite_converged .and. crystallite_localPlasticity ! ...restart all non-local as not converged
@ -1569,42 +1549,6 @@ do n = 1_pInt,5_pInt
!$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
@ -1782,49 +1726,20 @@ relTemperatureResiduum = 0.0_pReal
!$OMP ENDDO
! --- DELTA STATE ---
! --- STATE JUMP ---
!$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,*)
if (.not. crystallite_stateJump(g,i,e)) then
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 ! brken local...
crystallite_todo(g,i,e) = .false. ! ...skip this one next time
endif
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
!$OMP ENDDO
@ -1901,9 +1816,7 @@ use constitutive, only: constitutive_sizeDotState, &
constitutive_aTolState, &
constitutive_subState0, &
constitutive_dotState, &
constitutive_deltaState, &
constitutive_collectDotState, &
constitutive_collectDeltaState, &
constitutive_dotTemperature, &
constitutive_microstructure
@ -2036,54 +1949,6 @@ endif
if (numerics_integrationMode < 2) then
! --- DELTA STATE (EULER INTEGRATION) ---
!$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
!$OMP ENDDO
! --- UPDATE DEPENDENT STATES (EULER INTEGRATION) ---
!$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
@ -2168,7 +2033,6 @@ relTemperatureResiduum = 0.0_pReal
.or. abs(stateResiduum(1:mySizeDotState,g,i,e)) < constitutive_aTolState(g,i,e)%p(1:mySizeDotState)) &
.and. abs(relTemperatureResiduum(g,i,e)) < rTol_crystalliteTemperature ) 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
!$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(2,numerics_integrationMode) = &
@ -2181,8 +2045,28 @@ relTemperatureResiduum = 0.0_pReal
enddo; enddo; enddo
!$OMP ENDDO
! --- STATE JUMP ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e) .and. crystallite_converged(g,i,e)) then ! converged and still alive...
crystallite_todo(g,i,e) = .false. ! ... integration done
crystallite_converged(g,i,e) = crystallite_stateJump(g,i,e) ! if state jump fails, then convergence is broken
if (.not. crystallite_converged(g,i,e)) then
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
!$OMP END PARALLEL
! --- NONLOCAL CONVERGENCE CHECK ---
#ifndef _OPENMP
@ -2203,17 +2087,7 @@ end subroutine crystallite_integrateStateAdaptiveEuler
!********************************************************************
! integrate stress, state and Temperature with
! 1st order explicit Euler method:
! - calculate evolution rate of the state according to applied stress
! and initial state
! - integrate evolution rates over time step giving rise to new
! "intermediate" state
! - update dependent state variables
! - integrate stress to be consistent with state
! - calculate jumps in the state according to applied new stress
! and intermediate state
! - add the jumps to the intermediate state and get final state
! - update dependent state variables
! 1st order explicit Euler method
!********************************************************************
subroutine crystallite_integrateStateEuler(gg,ii,ee)
@ -2237,9 +2111,7 @@ use constitutive, only: constitutive_sizeDotState, &
constitutive_state, &
constitutive_subState0, &
constitutive_dotState, &
constitutive_deltaState, &
constitutive_collectDotState, &
constitutive_collectDeltaState, &
constitutive_dotTemperature, &
constitutive_microstructure
@ -2365,56 +2237,20 @@ endif
!$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
! --- STATE JUMP ---
! --- DELTA STATE ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Temperature(g,i,e), g,i,e)
!$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_todo(g,i,e) = crystallite_stateJump(g,i,e)
if (.not. crystallite_todo(g,i,e) .and. .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)
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
!$OMP ENDDO
endif
endif
enddo; enddo; enddo
!$OMP ENDDO
! --- SET CONVERGENCE FLAG ---
@ -2480,9 +2316,7 @@ use constitutive, only: constitutive_subState0, &
constitutive_sizeDotState, &
constitutive_maxSizeDotState, &
constitutive_dotState, &
constitutive_deltaState, &
constitutive_collectDotState, &
constitutive_collectDeltaState, &
constitutive_dotTemperature, &
constitutive_microstructure, &
constitutive_previousDotState, &
@ -2587,19 +2421,6 @@ 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
constitutive_previousDotState2(g,i,e)%p = constitutive_previousDotState(g,i,e)%p ! age previous dotState
constitutive_previousDotState(g,i,e)%p = constitutive_dotState(g,i,e)%p ! age previous dotState
enddo; enddo; enddo
!$OMP ENDDO
!$OMP END PARALLEL
@ -2612,6 +2433,19 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
!$OMP PARALLEL
! --- UPDATE DEPENDENT STATES ---
!$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
constitutive_previousDotState2(g,i,e)%p = constitutive_previousDotState(g,i,e)%p ! age previous dotState
constitutive_previousDotState(g,i,e)%p = constitutive_dotState(g,i,e)%p ! age previous dotState
enddo; enddo; enddo
!$OMP ENDDO
! --- STRESS INTEGRATION ---
@ -2639,54 +2473,6 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
#endif
! --- DELTA STATE ---
!$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
#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
@ -2739,7 +2525,6 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
mySizeDotState = constitutive_sizeDotState(g,i,e)
stateResiduum(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) &
- constitutive_deltaState(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)
@ -2772,6 +2557,7 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
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) &
@ -2780,7 +2566,6 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
.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
!$OMP CRITICAL (distributionState)
debug_StateLoopDistribution(NiterationState,numerics_integrationMode) = &
@ -2794,17 +2579,22 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
!$OMP ENDDO
! --- UPDATE DEPENDENT STATES ---
! --- STATE JUMP ---
!$OMP DO
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e)) then
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
if (crystallite_todo(g,i,e) .and. crystallite_converged(g,i,e)) then ! converged and still alive...
crystallite_todo(g,i,e) = .false. ! ... integration done
crystallite_converged(g,i,e) = crystallite_stateJump(g,i,e) ! if state jump fails, then convergence is broken
if (.not. crystallite_converged(g,i,e)) then
if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
!$OMP CRITICAL (checkTodo)
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
!$OMP END CRITICAL (checkTodo)
endif
endif
endif
constitutive_previousDotState2(g,i,e)%p = constitutive_previousDotState(g,i,e)%p ! age previous dotState
constitutive_previousDotState(g,i,e)%p = constitutive_dotState(g,i,e)%p ! age previous dotState
enddo; enddo; enddo
enddo; enddo; enddo
!$OMP ENDDO
!$OMP END PARALLEL
@ -2838,10 +2628,84 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
enddo ! crystallite convergence loop
end subroutine crystallite_integrateStateFPI
!***********************************************************
!* calculates a jump in the state according to the current *
!* state and the current stress *
!***********************************************************
function crystallite_stateJump(g,i,e)
!*** variables and functions from other modules ***!
use debug, only: debug_what, &
debug_crystallite, &
debug_levelExtensive, &
debug_levelSelective, &
debug_e, &
debug_i, &
debug_g
use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP
use mesh, only: mesh_element, &
mesh_NcpElems
use material, only: homogenization_Ngrains
use constitutive, only: constitutive_sizeDotState, &
constitutive_state, &
constitutive_deltaState, &
constitutive_collectDeltaState, &
constitutive_microstructure
implicit none
!*** input variables ***!
integer(pInt), intent(in):: e, & ! element index
i, & ! integration point index
g ! grain index
!*** output variables ***!
logical crystallite_stateJump
!*** local variables ***!
integer(pInt) mySizeDotState
crystallite_stateJump = .false.
call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Temperature(g,i,e), g,i,e)
mySizeDotState = constitutive_sizeDotState(g,i,e)
if (any(constitutive_deltaState(g,i,e)%p(1:mySizeDotState) /= constitutive_deltaState(g,i,e)%p(1:mySizeDotState))) then
return
endif
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
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
crystallite_stateJump = .true.
end function crystallite_stateJump
!***********************************************************************
!*** calculation of stress (P) with time integration ***
!*** based on a residuum in Lp and intermediate ***