cleaning
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Martin Diehl
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26fbf5084d
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@ -69,7 +69,7 @@ module crystallite
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crystallite_subS0, & !< 2nd Piola-Kirchhoff stress vector at start of crystallite inc
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crystallite_invFp, & !< inverse of current plastic def grad (end of converged time step)
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crystallite_subFp0,& !< plastic def grad at start of crystallite inc
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crystallite_invFi, & !< inverse of current intermediate def grad (end of converged time step)
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crystallite_invFi, & !< inverse of current intermediate def grad
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crystallite_subFi0,& !< intermediate def grad at start of crystallite inc
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crystallite_subF, & !< def grad to be reached at end of crystallite inc
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crystallite_subF0, & !< def grad at start of crystallite inc
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@ -78,12 +78,11 @@ module crystallite
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real(pReal), dimension(:,:,:,:,:,:,:), allocatable, public :: &
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crystallite_dPdF !< current individual dPdF per grain (end of converged time step)
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logical, dimension(:,:,:), allocatable, public :: &
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crystallite_requested !< flag to request crystallite calculation
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logical, dimension(:,:,:), allocatable, public, protected :: &
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crystallite_converged !< convergence flag
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crystallite_requested !< used by upper level (homogenization) to request crystallite calculation
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logical, dimension(:,:,:), allocatable, private :: &
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crystallite_localPlasticity, & !< indicates this grain to have purely local constitutive law
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crystallite_todo !< flag to indicate need for further computation
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crystallite_converged, & !< convergence flag
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crystallite_todo, & !< flag to indicate need for further computation
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crystallite_localPlasticity !< indicates this grain to have purely local constitutive law
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enum, bind(c)
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enumerator :: undefined_ID, &
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@ -999,13 +998,11 @@ function crystallite_postResults(ipc, ip, el)
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mySize, &
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n
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crystID = microstructure_crystallite(mesh_element(4,el))
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crystallite_postResults = 0.0_pReal
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c = 0_pInt
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crystallite_postResults(c+1) = real(crystallite_sizePostResults(crystID),pReal) ! size of results from cryst
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c = c + 1_pInt
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crystallite_postResults(1) = real(crystallite_sizePostResults(crystID),pReal) ! header-like information (length)
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c = 1_pInt
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do o = 1_pInt,crystallite_Noutput(crystID)
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mySize = 0_pInt
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@ -1612,12 +1609,6 @@ subroutine integrateStateFPI()
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singleRun = (eIter(1) == eIter(2) .and. iIter(1,eIter(1)) == iIter(2,eIter(2)))
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
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write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_todo(:,:,:)),' grains todo at start of state integration'
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#endif
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! --+>> PREGUESS FOR STATE <<+--
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call update_dotState(1.0_pReal)
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call update_state(1.0_pReal)
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@ -1807,11 +1798,6 @@ subroutine integrateStateFPI()
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!$OMP ENDDO
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!$OMP END PARALLEL
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
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write(6,'(a,i8,a,i2)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), &
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' grains converged after state integration #', NiterationState
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#endif
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! --- NON-LOCAL CONVERGENCE CHECK ---
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@ -1820,20 +1806,11 @@ subroutine integrateStateFPI()
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crystallite_converged = crystallite_converged .and. crystallite_localPlasticity ! ...restart all non-local as not converged
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endif
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
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write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), &
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' grains converged after non-local check'
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write(6,'(a,i8,a,i2,/)') '<< CRYST >> ', count(crystallite_todo(:,:,:)), &
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' grains todo after state integration #', NiterationState
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endif
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#endif
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! --- CHECK IF DONE WITH INTEGRATION ---
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doneWithIntegration = .true.
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elemLoop: do e = eIter(1),eIter(2)
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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 i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e)
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if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
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doneWithIntegration = .false.
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exit elemLoop
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@ -1843,6 +1820,29 @@ subroutine integrateStateFPI()
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enddo crystalliteLooping
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief calculate the damping for correction of state and dot state
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!--------------------------------------------------------------------------------------------------
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real(pReal) pure function damper(current,previous,previous2)
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implicit none
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real(pReal), dimension(:), intent(in) ::&
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current, previous, previous2
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real(pReal) :: dot_prod12, dot_prod22
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dot_prod12 = dot_product(current - previous, previous - previous2)
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dot_prod22 = dot_product(current - previous2, previous - previous2)
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if (dot_prod22 > 0.0_pReal .and. (dot_prod12 < 0.0_pReal .or. dot_product(current,previous) < 0.0_pReal)) then
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damper = 0.75_pReal + 0.25_pReal * tanh(2.0_pReal + 4.0_pReal * dot_prod12 / dot_prod22)
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else
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damper = 1.0_pReal
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endif
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end function damper
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end subroutine integrateStateFPI
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@ -2119,17 +2119,6 @@ end subroutine integrateStateAdaptiveEuler
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subroutine integrateStateRK4()
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use, intrinsic :: &
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IEEE_arithmetic
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#ifdef DEBUG
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use debug, only: &
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debug_e, &
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debug_i, &
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debug_g, &
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debug_level, &
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debug_crystallite, &
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debug_levelBasic, &
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debug_levelExtensive, &
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debug_levelSelective
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#endif
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use mesh, only: &
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mesh_element, &
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mesh_NcpElems
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@ -2331,10 +2320,6 @@ subroutine integrateStateRKCK45()
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singleRun ! flag indicating computation for single (g,i,e) triple
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eIter = FEsolving_execElem(1:2)
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
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write(6,'(a,1x,i1)') '<< CRYST >> Runge--Kutta step',1
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#endif
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! --- LOOP ITERATOR FOR ELEMENT, GRAIN, IP ---
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do e = eIter(1),eIter(2)
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@ -2483,22 +2468,6 @@ subroutine integrateStateRKCK45()
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abs(sourceStateResiduum(1:mySizeSourceDotState,mySource,g,i,e)) < &
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sourceState(p)%p(mySource)%aTolState(1:mySizeSourceDotState))
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enddo
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#ifdef DEBUG
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if (iand(debug_level(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_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
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write(6,'(a,i8,1x,i3,1x,i3,/)') '<< CRYST >> updateState at el ip ipc ',e,i,g
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write(6,'(a,/,(12x,12(f12.1,1x)),/)') '<< CRYST >> absolute residuum tolerance', &
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plasticStateResiduum(1:mySizePlasticDotState,g,i,e) / plasticState(p)%aTolState(1:mySizePlasticDotState)
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write(6,'(a,/,(12x,12(f12.1,1x)),/)') '<< CRYST >> relative residuum tolerance', &
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relPlasticStateResiduum(1:mySizePlasticDotState,g,i,e) / rTol_crystalliteState
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write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> dotState', &
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plasticState(p)%dotState(1:mySizePlasticDotState,cc)
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write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', &
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plasticState(p)%state(1:mySizePlasticDotState,cc)
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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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@ -2511,10 +2480,6 @@ subroutine integrateStateRKCK45()
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! --- nonlocal convergence check ---
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) &
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write(6,'(a,i8,a,i2,/)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), ' grains converged' ! if not requesting Integration of just a single IP
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#endif
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if ((.not. singleRun) .and. any(.not. crystallite_converged .and. .not. crystallite_localPlasticity)) & ! 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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