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
parent
9bbdf32365
commit
fc7b4d6471
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@ -39,7 +39,9 @@ private :: crystallite_integrateStateFPI, &
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crystallite_integrateStateEuler, &
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crystallite_integrateStateEuler, &
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crystallite_integrateStateAdaptiveEuler, &
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crystallite_integrateStateAdaptiveEuler, &
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crystallite_integrateStateRK4, &
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crystallite_integrateStateRK4, &
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crystallite_integrateStateRKCK45
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crystallite_integrateStateRKCK45, &
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crystallite_integrateStress, &
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crystallite_stateJump
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! ****************************************************************
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! ****************************************************************
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! *** General variables for the crystallite calculation ***
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! *** General variables for the crystallite calculation ***
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@ -1146,6 +1148,21 @@ do n = 1_pInt,4_pInt
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+ constitutive_dotState(g,i,e)%p(1:mySizeDotState) * crystallite_subdt(g,i,e) * timeStepFraction(n)
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+ constitutive_dotState(g,i,e)%p(1:mySizeDotState) * crystallite_subdt(g,i,e) * timeStepFraction(n)
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crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
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crystallite_Temperature(g,i,e) = crystallite_subTemperature0(g,i,e) &
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+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e) * timeStepFraction(n)
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+ crystallite_dotTemperature(g,i,e) * crystallite_subdt(g,i,e) * timeStepFraction(n)
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if (n == 4) then ! final integration step
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#ifndef _OPENMP
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if (iand(debug_what(debug_crystallite), debug_levelExtensive) /= 0_pInt &
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.and. ((e == debug_e .and. i == debug_i .and. g == debug_g)&
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.or. .not. iand(debug_what(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
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mySizeDotState = constitutive_sizeDotState(g,i,e)
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write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> updateState at el ip g ',e,i,g
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write(6,*)
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write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> dotState', constitutive_dotState(g,i,e)%p(1:mySizeDotState)
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write(6,*)
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write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
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write(6,*)
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endif
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#endif
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endif
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endif
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endif
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enddo; enddo; enddo
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enddo; enddo; enddo
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!$OMP ENDDO
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!$OMP ENDDO
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@ -1168,32 +1185,7 @@ do n = 1_pInt,4_pInt
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!$OMP DO
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!$OMP DO
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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
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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
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if (crystallite_todo(g,i,e)) then
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if (crystallite_todo(g,i,e)) then
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if (crystallite_integrateStress(g,i,e,timeStepFraction(n))) then ! fraction of original times step
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if (.not. crystallite_integrateStress(g,i,e,timeStepFraction(n))) then ! fraction of original times step
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if (n == 4) then ! final integration step
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#ifndef _OPENMP
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if (iand(debug_what(debug_crystallite), debug_levelExtensive) /= 0_pInt &
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.and. ((e == debug_e .and. i == debug_i .and. g == debug_g)&
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.or. .not. iand(debug_what(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
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mySizeDotState = constitutive_sizeDotState(g,i,e)
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write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> updateState at el ip g ',e,i,g
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write(6,*)
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write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> dotState', constitutive_dotState(g,i,e)%p(1:mySizeDotState)
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write(6,*)
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write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
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write(6,*)
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endif
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#endif
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crystallite_converged(g,i,e) = .true. ! ... converged per definition
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crystallite_todo(g,i,e) = .false. ! ... integration done
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if (iand(debug_what(debug_crystallite), debug_levelBasic) /= 0_pInt) then
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!$OMP CRITICAL (distributionState)
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debug_StateLoopDistribution(n,numerics_integrationMode) = &
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debug_StateLoopDistribution(n,numerics_integrationMode) + 1
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!$OMP END CRITICAL (distributionState)
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endif
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endif
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else ! broken stress integration
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if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
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if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
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!$OMP CRITICAL (checkTodo)
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!$OMP CRITICAL (checkTodo)
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crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
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crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
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@ -1207,54 +1199,6 @@ do n = 1_pInt,4_pInt
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!$OMP ENDDO
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!$OMP ENDDO
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! --- delta state ---
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!$OMP DO
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do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
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if (crystallite_todo(g,i,e)) then
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call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Temperature(g,i,e), g,i,e)
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endif
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enddo; enddo; enddo
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!$OMP ENDDO
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! --- update state ---
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!$OMP DO PRIVATE(mySizeDotState)
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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
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if (crystallite_todo(g,i,e)) then
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mySizeDotState = constitutive_sizeDotState(g,i,e)
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constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) &
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+ constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
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#ifndef _OPENMP
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if (iand(debug_what(debug_crystallite), debug_levelExtensive) /= 0_pInt &
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.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
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.or. .not. iand(debug_what(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
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write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> update state at el ip g ',e,i,g
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write(6,*)
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write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> deltaState', constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
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write(6,*)
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write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
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write(6,*)
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endif
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#endif
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endif
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enddo; enddo; enddo
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!$OMP ENDDO
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! --- update dependent states ---
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!$OMP DO
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do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
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if (crystallite_todo(g,i,e)) then
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call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
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crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
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endif
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enddo; enddo; enddo
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!$OMP ENDDO
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! --- dot state and RK dot state---
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! --- dot state and RK dot state---
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if (n < 4) then
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if (n < 4) then
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@ -1289,12 +1233,48 @@ do n = 1_pInt,4_pInt
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enddo
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enddo
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! --- STATE JUMP ---
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!$OMP DO
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do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
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if (crystallite_todo(g,i,e) .and. crystallite_converged(g,i,e)) then
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if (.not. crystallite_stateJump(g,i,e)) then
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if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
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!$OMP CRITICAL (checkTodo)
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crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
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!$OMP END CRITICAL (checkTodo)
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else ! broken local ...
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crystallite_todo(g,i,e) = .false. ! ... skip this one next time
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endif
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endif
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endif
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enddo; enddo; enddo
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!$OMP ENDDO
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! --- SET CONVERGENCE FLAG ---
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!$OMP DO
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do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
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if (crystallite_todo(g,i,e)) then
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crystallite_converged(g,i,e) = .true. ! if still "to do" then converged per definitionem
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crystallite_todo(g,i,e) = .false. ! ... integration done
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if (iand(debug_what(debug_crystallite), debug_levelBasic) /= 0_pInt) then
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!$OMP CRITICAL (distributionState)
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debug_StateLoopDistribution(6,numerics_integrationMode) = &
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debug_StateLoopDistribution(6,numerics_integrationMode) + 1_pInt
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!$OMP END CRITICAL (distributionState)
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endif
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endif
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enddo; enddo; enddo
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!$OMP ENDDO
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!$OMP END PARALLEL
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!$OMP END PARALLEL
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! --- CHECK CONVERGENCE ---
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! --- CHECK NONLOCAL CONVERGENCE ---
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crystallite_todo = .false. ! done with integration
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if (.not. singleRun) then ! if not requesting Integration of just a single IP
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if (.not. singleRun) then ! if not requesting Integration of just a single IP
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if (any(.not. crystallite_converged .and. .not. crystallite_localPlasticity)) then ! any non-local not yet converged (or broken)...
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if (any(.not. crystallite_converged .and. .not. crystallite_localPlasticity)) then ! any non-local not yet converged (or broken)...
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crystallite_converged = crystallite_converged .and. crystallite_localPlasticity ! ...restart all non-local as not converged
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crystallite_converged = crystallite_converged .and. crystallite_localPlasticity ! ...restart all non-local as not converged
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@ -1569,42 +1549,6 @@ do n = 1_pInt,5_pInt
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!$OMP ENDDO
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!$OMP ENDDO
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! --- delta state ---
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!$OMP DO
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do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
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if (crystallite_todo(g,i,e)) then
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call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Temperature(g,i,e), g,i,e)
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endif
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enddo; enddo; enddo
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!$OMP ENDDO
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! --- update state ---
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!$OMP DO PRIVATE(mySizeDotState)
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do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
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if (crystallite_todo(g,i,e)) then
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mySizeDotState = constitutive_sizeDotState(g,i,e)
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constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) &
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+ constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
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endif
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enddo; enddo; enddo
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!$OMP ENDDO
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! --- update dependent state ---
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!$OMP DO
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do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
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if (crystallite_todo(g,i,e)) then
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call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
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crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
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endif
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enddo; enddo; enddo
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!$OMP ENDDO
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! --- dot state and RK dot state---
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! --- dot state and RK dot state---
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#ifndef _OPENMP
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#ifndef _OPENMP
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if (iand(debug_what(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
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if (iand(debug_what(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
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@ -1782,49 +1726,20 @@ relTemperatureResiduum = 0.0_pReal
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!$OMP ENDDO
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!$OMP ENDDO
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! --- DELTA STATE ---
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! --- STATE JUMP ---
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!$OMP DO
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!$OMP DO
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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
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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
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if (crystallite_todo(g,i,e)) then
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if (crystallite_todo(g,i,e)) then
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call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Temperature(g,i,e), g,i,e)
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if (.not. crystallite_stateJump(g,i,e)) then
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endif
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if (.not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
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enddo; enddo; enddo
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!$OMP CRITICAL (checkTodo)
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!$OMP ENDDO
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crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
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!$OMP END CRITICAL (checkTodo)
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else ! brken local...
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! --- UPDATE STATE ---
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crystallite_todo(g,i,e) = .false. ! ...skip this one next time
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endif
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!$OMP DO PRIVATE(mySizeDotState)
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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
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if (crystallite_todo(g,i,e)) then
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mySizeDotState = constitutive_sizeDotState(g,i,e)
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constitutive_state(g,i,e)%p(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) &
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+ constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
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#ifndef _OPENMP
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if (iand(debug_what(debug_crystallite), debug_levelExtensive) /= 0_pInt &
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.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
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.or. .not. iand(debug_what(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
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write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> update state at el ip g ',e,i,g
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write(6,*)
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write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> deltaState', constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
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write(6,*)
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write(6,'(a,/,(12x,12(e12.5,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
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write(6,*)
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endif
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endif
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#endif
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endif
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enddo; enddo; enddo
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!$OMP ENDDO
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! --- UPDATE DEPENDENT STATES ---
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!$OMP DO
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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
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if (crystallite_todo(g,i,e)) then
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call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
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crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
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endif
|
endif
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
!$OMP ENDDO
|
!$OMP ENDDO
|
||||||
|
|
@ -1901,9 +1816,7 @@ use constitutive, only: constitutive_sizeDotState, &
|
||||||
constitutive_aTolState, &
|
constitutive_aTolState, &
|
||||||
constitutive_subState0, &
|
constitutive_subState0, &
|
||||||
constitutive_dotState, &
|
constitutive_dotState, &
|
||||||
constitutive_deltaState, &
|
|
||||||
constitutive_collectDotState, &
|
constitutive_collectDotState, &
|
||||||
constitutive_collectDeltaState, &
|
|
||||||
constitutive_dotTemperature, &
|
constitutive_dotTemperature, &
|
||||||
constitutive_microstructure
|
constitutive_microstructure
|
||||||
|
|
||||||
|
|
@ -2036,54 +1949,6 @@ endif
|
||||||
|
|
||||||
if (numerics_integrationMode < 2) then
|
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) ---
|
! --- DOT STATE AND TEMPERATURE (HEUN METHOD) ---
|
||||||
|
|
||||||
!$OMP DO
|
!$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)) &
|
.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
|
.and. abs(relTemperatureResiduum(g,i,e)) < rTol_crystalliteTemperature ) then
|
||||||
crystallite_converged(g,i,e) = .true. ! ... converged per definitionem
|
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
|
if (iand(debug_what(debug_crystallite), debug_levelBasic) /= 0_pInt) then
|
||||||
!$OMP CRITICAL (distributionState)
|
!$OMP CRITICAL (distributionState)
|
||||||
debug_StateLoopDistribution(2,numerics_integrationMode) = &
|
debug_StateLoopDistribution(2,numerics_integrationMode) = &
|
||||||
|
|
@ -2181,8 +2045,28 @@ relTemperatureResiduum = 0.0_pReal
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
!$OMP ENDDO
|
!$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
|
||||||
|
|
||||||
!$OMP END PARALLEL
|
!$OMP END PARALLEL
|
||||||
|
|
||||||
|
|
||||||
! --- NONLOCAL CONVERGENCE CHECK ---
|
! --- NONLOCAL CONVERGENCE CHECK ---
|
||||||
|
|
||||||
#ifndef _OPENMP
|
#ifndef _OPENMP
|
||||||
|
|
@ -2203,17 +2087,7 @@ end subroutine crystallite_integrateStateAdaptiveEuler
|
||||||
|
|
||||||
!********************************************************************
|
!********************************************************************
|
||||||
! integrate stress, state and Temperature with
|
! 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)
|
subroutine crystallite_integrateStateEuler(gg,ii,ee)
|
||||||
|
|
||||||
|
|
@ -2237,9 +2111,7 @@ use constitutive, only: constitutive_sizeDotState, &
|
||||||
constitutive_state, &
|
constitutive_state, &
|
||||||
constitutive_subState0, &
|
constitutive_subState0, &
|
||||||
constitutive_dotState, &
|
constitutive_dotState, &
|
||||||
constitutive_deltaState, &
|
|
||||||
constitutive_collectDotState, &
|
constitutive_collectDotState, &
|
||||||
constitutive_collectDeltaState, &
|
|
||||||
constitutive_dotTemperature, &
|
constitutive_dotTemperature, &
|
||||||
constitutive_microstructure
|
constitutive_microstructure
|
||||||
|
|
||||||
|
|
@ -2365,56 +2237,20 @@ endif
|
||||||
!$OMP ENDDO
|
!$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
|
! --- STATE JUMP ---
|
||||||
|
|
||||||
! --- DELTA STATE ---
|
!$OMP DO
|
||||||
|
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||||
!$OMP DO
|
if (crystallite_todo(g,i,e)) then
|
||||||
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
|
crystallite_todo(g,i,e) = crystallite_stateJump(g,i,e)
|
||||||
if (crystallite_todo(g,i,e)) then
|
if (.not. crystallite_todo(g,i,e) .and. .not. crystallite_localPlasticity(g,i,e)) then ! if broken non-local...
|
||||||
call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Temperature(g,i,e), g,i,e)
|
!$OMP CRITICAL (checkTodo)
|
||||||
|
crystallite_todo = crystallite_todo .and. crystallite_localPlasticity ! ...all non-locals skipped
|
||||||
|
!$OMP END CRITICAL (checkTodo)
|
||||||
endif
|
endif
|
||||||
enddo; enddo; enddo
|
endif
|
||||||
!$OMP ENDDO
|
enddo; enddo; enddo
|
||||||
|
!$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 ---
|
! --- SET CONVERGENCE FLAG ---
|
||||||
|
|
@ -2480,9 +2316,7 @@ use constitutive, only: constitutive_subState0, &
|
||||||
constitutive_sizeDotState, &
|
constitutive_sizeDotState, &
|
||||||
constitutive_maxSizeDotState, &
|
constitutive_maxSizeDotState, &
|
||||||
constitutive_dotState, &
|
constitutive_dotState, &
|
||||||
constitutive_deltaState, &
|
|
||||||
constitutive_collectDotState, &
|
constitutive_collectDotState, &
|
||||||
constitutive_collectDeltaState, &
|
|
||||||
constitutive_dotTemperature, &
|
constitutive_dotTemperature, &
|
||||||
constitutive_microstructure, &
|
constitutive_microstructure, &
|
||||||
constitutive_previousDotState, &
|
constitutive_previousDotState, &
|
||||||
|
|
@ -2587,19 +2421,6 @@ endif
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
!$OMP ENDDO
|
!$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
|
|
||||||
!$OMP END PARALLEL
|
!$OMP END PARALLEL
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -2612,6 +2433,19 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
|
||||||
|
|
||||||
!$OMP PARALLEL
|
!$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 ---
|
! --- STRESS INTEGRATION ---
|
||||||
|
|
||||||
|
|
@ -2639,54 +2473,6 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
|
||||||
#endif
|
#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 ---
|
! --- DOT STATE AND TEMPERATURE ---
|
||||||
|
|
||||||
!$OMP DO
|
!$OMP DO
|
||||||
|
|
@ -2739,7 +2525,6 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
|
||||||
|
|
||||||
mySizeDotState = constitutive_sizeDotState(g,i,e)
|
mySizeDotState = constitutive_sizeDotState(g,i,e)
|
||||||
stateResiduum(1:mySizeDotState) = constitutive_state(g,i,e)%p(1:mySizeDotState) &
|
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_subState0(g,i,e)%p(1:mySizeDotState) &
|
||||||
- (constitutive_dotState(g,i,e)%p * statedamper &
|
- (constitutive_dotState(g,i,e)%p * statedamper &
|
||||||
+ constitutive_previousDotState(g,i,e)%p * (1.0_pReal - statedamper)) * crystallite_subdt(g,i,e)
|
+ 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_dotState(g,i,e)%p = constitutive_dotState(g,i,e)%p * statedamper &
|
||||||
+ constitutive_previousDotState(g,i,e)%p * (1.0_pReal - statedamper)
|
+ constitutive_previousDotState(g,i,e)%p * (1.0_pReal - statedamper)
|
||||||
|
|
||||||
|
|
||||||
! --- converged ? ---
|
! --- converged ? ---
|
||||||
|
|
||||||
if ( all( abs(stateResiduum(1:mySizeDotState)) < constitutive_aTolState(g,i,e)%p(1:mySizeDotState) &
|
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) &
|
.and. (abs(temperatureResiduum) < rTol_crystalliteTemperature * crystallite_Temperature(g,i,e) &
|
||||||
.or. crystallite_Temperature(g,i,e) == 0.0_pReal) ) then
|
.or. crystallite_Temperature(g,i,e) == 0.0_pReal) ) then
|
||||||
crystallite_converged(g,i,e) = .true. ! ... converged per definitionem
|
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
|
if (iand(debug_what(debug_crystallite), debug_levelBasic) /= 0_pInt) then
|
||||||
!$OMP CRITICAL (distributionState)
|
!$OMP CRITICAL (distributionState)
|
||||||
debug_StateLoopDistribution(NiterationState,numerics_integrationMode) = &
|
debug_StateLoopDistribution(NiterationState,numerics_integrationMode) = &
|
||||||
|
|
@ -2794,17 +2579,22 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
|
||||||
!$OMP ENDDO
|
!$OMP ENDDO
|
||||||
|
|
||||||
|
|
||||||
! --- UPDATE DEPENDENT STATES ---
|
! --- STATE JUMP ---
|
||||||
|
|
||||||
!$OMP DO
|
!$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
|
if (crystallite_todo(g,i,e) .and. crystallite_converged(g,i,e)) then ! converged and still alive...
|
||||||
call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
|
crystallite_todo(g,i,e) = .false. ! ... integration done
|
||||||
crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
|
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
|
endif
|
||||||
constitutive_previousDotState2(g,i,e)%p = constitutive_previousDotState(g,i,e)%p ! age previous dotState
|
enddo; enddo; enddo
|
||||||
constitutive_previousDotState(g,i,e)%p = constitutive_dotState(g,i,e)%p ! age previous dotState
|
|
||||||
enddo; enddo; enddo
|
|
||||||
!$OMP ENDDO
|
!$OMP ENDDO
|
||||||
|
|
||||||
!$OMP END PARALLEL
|
!$OMP END PARALLEL
|
||||||
|
|
@ -2838,10 +2628,84 @@ do while (any(crystallite_todo) .and. NiterationState < nState )
|
||||||
|
|
||||||
enddo ! crystallite convergence loop
|
enddo ! crystallite convergence loop
|
||||||
|
|
||||||
|
|
||||||
end subroutine crystallite_integrateStateFPI
|
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 ***
|
!*** calculation of stress (P) with time integration ***
|
||||||
!*** based on a residuum in Lp and intermediate ***
|
!*** based on a residuum in Lp and intermediate ***
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue