Merge branch 'state-integration-cleaning' into 'development'
State integration cleaning See merge request damask/DAMASK!155
This commit is contained in:
commit
289808875c
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@ -327,7 +327,7 @@ module constitutive
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constitutive_initialFi, &
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constitutive_SandItsTangents, &
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constitutive_collectDotState, &
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constitutive_collectDeltaState, &
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constitutive_deltaState, &
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constitutive_results
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contains
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@ -709,12 +709,14 @@ end subroutine constitutive_hooke_SandItsTangents
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!--------------------------------------------------------------------------------------------------
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!> @brief contains the constitutive equation for calculating the rate of change of microstructure
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!--------------------------------------------------------------------------------------------------
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subroutine constitutive_collectDotState(S, FArray, Fi, FpArray, subdt, ipc, ip, el)
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function constitutive_collectDotState(S, FArray, Fi, FpArray, subdt, ipc, ip, el,phase,of) result(broken)
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integer, intent(in) :: &
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ipc, & !< component-ID of integration point
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ip, & !< integration point
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el !< element
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el, & !< element
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phase, &
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of
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real(pReal), intent(in) :: &
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subdt !< timestep
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real(pReal), intent(in), dimension(3,3,homogenization_maxNgrains,discretization_nIP,discretization_nElem) :: &
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@ -730,16 +732,16 @@ subroutine constitutive_collectDotState(S, FArray, Fi, FpArray, subdt, ipc, ip,
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ho, & !< homogenization
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tme, & !< thermal member position
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i, & !< counter in source loop
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instance, of
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instance
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logical :: broken
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ho = material_homogenizationAt(el)
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tme = thermalMapping(ho)%p(ip,el)
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of = material_phasememberAt(ipc,ip,el)
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instance = phase_plasticityInstance(material_phaseAt(ipc,el))
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instance = phase_plasticityInstance(phase)
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Mp = matmul(matmul(transpose(Fi),Fi),S)
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plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
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plasticityType: select case (phase_plasticity(phase))
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case (PLASTICITY_ISOTROPIC_ID) plasticityType
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call plastic_isotropic_dotState (Mp,instance,of)
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@ -760,10 +762,11 @@ subroutine constitutive_collectDotState(S, FArray, Fi, FpArray, subdt, ipc, ip,
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call plastic_nonlocal_dotState (Mp,FArray,FpArray,temperature(ho)%p(tme),subdt, &
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instance,of,ip,el)
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end select plasticityType
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broken = any(IEEE_is_NaN(plasticState(phase)%dotState(:,of)))
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SourceLoop: do i = 1, phase_Nsources(material_phaseAt(ipc,el))
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SourceLoop: do i = 1, phase_Nsources(phase)
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sourceType: select case (phase_source(i,material_phaseAt(ipc,el)))
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sourceType: select case (phase_source(i,phase))
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case (SOURCE_damage_anisoBrittle_ID) sourceType
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call source_damage_anisoBrittle_dotState (S, ipc, ip, el) !< correct stress?
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@ -775,25 +778,29 @@ subroutine constitutive_collectDotState(S, FArray, Fi, FpArray, subdt, ipc, ip,
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call source_damage_anisoDuctile_dotState ( ipc, ip, el)
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case (SOURCE_thermal_externalheat_ID) sourceType
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call source_thermal_externalheat_dotState(material_phaseAt(ipc,el),of)
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call source_thermal_externalheat_dotState(phase,of)
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end select sourceType
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broken = broken .or. any(IEEE_is_NaN(sourceState(phase)%p(i)%dotState(:,of)))
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enddo SourceLoop
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end subroutine constitutive_collectDotState
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end function constitutive_collectDotState
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!--------------------------------------------------------------------------------------------------
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!> @brief for constitutive models having an instantaneous change of state
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!> will return false if delta state is not needed/supported by the constitutive model
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!--------------------------------------------------------------------------------------------------
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subroutine constitutive_collectDeltaState(S, Fe, Fi, ipc, ip, el)
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function constitutive_deltaState(S, Fe, Fi, ipc, ip, el, phase, of) result(broken)
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integer, intent(in) :: &
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ipc, & !< component-ID of integration point
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ip, & !< integration point
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el !< element
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el, & !< element
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phase, &
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of
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real(pReal), intent(in), dimension(3,3) :: &
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S, & !< 2nd Piola Kirchhoff stress
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Fe, & !< elastic deformation gradient
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@ -802,35 +809,62 @@ subroutine constitutive_collectDeltaState(S, Fe, Fi, ipc, ip, el)
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Mp
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integer :: &
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i, &
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instance, of
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instance, &
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myOffset, &
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mySize
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logical :: &
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broken
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Mp = matmul(matmul(transpose(Fi),Fi),S)
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of = material_phasememberAt(ipc,ip,el)
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instance = phase_plasticityInstance(material_phaseAt(ipc,el))
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instance = phase_plasticityInstance(phase)
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plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
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plasticityType: select case (phase_plasticity(phase))
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case (PLASTICITY_KINEHARDENING_ID) plasticityType
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call plastic_kinehardening_deltaState(Mp,instance,of)
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broken = any(IEEE_is_NaN(plasticState(phase)%deltaState(:,of)))
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case (PLASTICITY_NONLOCAL_ID) plasticityType
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call plastic_nonlocal_deltaState(Mp,instance,of,ip,el)
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broken = any(IEEE_is_NaN(plasticState(phase)%deltaState(:,of)))
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case default
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broken = .false.
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end select plasticityType
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sourceLoop: do i = 1, phase_Nsources(material_phaseAt(ipc,el))
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if(.not. broken) then
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select case(phase_plasticity(phase))
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case (PLASTICITY_NONLOCAL_ID,PLASTICITY_KINEHARDENING_ID)
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sourceType: select case (phase_source(i,material_phaseAt(ipc,el)))
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myOffset = plasticState(phase)%offsetDeltaState
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mySize = plasticState(phase)%sizeDeltaState
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plasticState(phase)%state(myOffset + 1:myOffset + mySize,of) = &
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plasticState(phase)%state(myOffset + 1:myOffset + mySize,of) + plasticState(phase)%deltaState(1:mySize,of)
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end select
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endif
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sourceLoop: do i = 1, phase_Nsources(phase)
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sourceType: select case (phase_source(i,phase))
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case (SOURCE_damage_isoBrittle_ID) sourceType
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call source_damage_isoBrittle_deltaState (constitutive_homogenizedC(ipc,ip,el), Fe, &
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ipc, ip, el)
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broken = broken .or. any(IEEE_is_NaN(sourceState(phase)%p(i)%deltaState(:,of)))
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if(.not. broken) then
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myOffset = sourceState(phase)%p(i)%offsetDeltaState
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mySize = sourceState(phase)%p(i)%sizeDeltaState
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sourceState(phase)%p(i)%state(myOffset + 1: myOffset + mySize,of) = &
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sourceState(phase)%p(i)%state(myOffset + 1: myOffset + mySize,of) + sourceState(phase)%p(i)%deltaState(1:mySize,of)
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endif
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end select sourceType
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enddo SourceLoop
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end subroutine constitutive_collectDeltaState
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end function constitutive_deltaState
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!--------------------------------------------------------------------------------------------------
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@ -209,7 +209,7 @@ module subroutine plastic_disloUCLA_init
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sizeDotState = size(['rho_mob ','rho_dip ','gamma_sl']) * prm%sum_N_sl
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sizeState = sizeDotState
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call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0)
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call material_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,0)
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!--------------------------------------------------------------------------------------------------
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! state aliases and initialization
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@ -399,7 +399,7 @@ module subroutine plastic_dislotwin_init
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+ size(['f_tr']) * prm%sum_N_tr
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sizeState = sizeDotState
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call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0)
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call material_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,0)
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!--------------------------------------------------------------------------------------------------
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! locally defined state aliases and initialization of state0 and atol
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@ -117,7 +117,7 @@ module subroutine plastic_isotropic_init
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sizeDotState = size(['xi ','accumulated_shear'])
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sizeState = sizeDotState
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call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0)
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call material_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,0)
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!--------------------------------------------------------------------------------------------------
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! state aliases and initialization
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@ -164,7 +164,7 @@ module subroutine plastic_kinehardening_init
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sizeDeltaState = size(['sense ', 'chi0 ', 'gamma0' ]) * prm%sum_N_sl
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sizeState = sizeDotState + sizeDeltaState
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call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,sizeDeltaState)
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call material_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,sizeDeltaState)
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!--------------------------------------------------------------------------------------------------
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! state aliases and initialization
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@ -29,7 +29,7 @@ module subroutine plastic_none_init
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if (phase_plasticity(p) /= PLASTICITY_NONE_ID) cycle
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NipcMyPhase = count(material_phaseAt == p) * discretization_nIP
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call material_allocatePlasticState(p,NipcMyPhase,0,0,0)
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call material_allocateState(plasticState(p),NipcMyPhase,0,0,0)
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enddo
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@ -320,6 +320,7 @@ module subroutine plastic_nonlocal_init
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prm%fEdgeMultiplication = config%getFloat('edgemultiplication')
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prm%shortRangeStressCorrection = config%keyExists('/shortrangestresscorrection/')
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!--------------------------------------------------------------------------------------------------
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! sanity checks
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if (any(prm%burgers < 0.0_pReal)) extmsg = trim(extmsg)//' burgers'
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@ -384,9 +385,9 @@ module subroutine plastic_nonlocal_init
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'maxDipoleHeightEdge ','maxDipoleHeightScrew' ]) * prm%sum_N_sl !< other dependent state variables that are not updated by microstructure
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sizeDeltaState = sizeDotState
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call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,sizeDeltaState)
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call material_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,sizeDeltaState)
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plasticState(p)%nonlocal = .true.
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plasticState(p)%nonlocal = config%KeyExists('/nonlocal/')
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plasticState(p)%offsetDeltaState = 0 ! ToDo: state structure does not follow convention
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st0%rho => plasticState(p)%state0 (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
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@ -213,7 +213,7 @@ module subroutine plastic_phenopowerlaw_init
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+ size(['xi_tw ','gamma_tw']) * prm%sum_N_tw
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sizeState = sizeDotState
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call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0)
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call material_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,0)
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!--------------------------------------------------------------------------------------------------
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! state aliases and initialization
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@ -15,7 +15,6 @@ module crystallite
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use DAMASK_interface
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use config
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use debug
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use numerics
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use rotations
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use math
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use FEsolving
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@ -70,9 +69,7 @@ module crystallite
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logical, dimension(:,:,:), allocatable, public :: &
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crystallite_requested !< used by upper level (homogenization) to request crystallite calculation
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logical, dimension(:,:,:), allocatable :: &
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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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crystallite_converged !< convergence flag
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type :: tOutput !< new requested output (per phase)
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character(len=pStringLen), allocatable, dimension(:) :: &
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@ -84,7 +81,8 @@ module crystallite
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integer :: &
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iJacoLpresiduum, & !< frequency of Jacobian update of residuum in Lp
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nState, & !< state loop limit
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nStress !< stress loop limit
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nStress, & !< stress loop limit
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integrator !< integration scheme (ToDo: better use a string)
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real(pReal) :: &
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subStepMinCryst, & !< minimum (relative) size of sub-step allowed during cutback
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subStepSizeCryst, & !< size of first substep when cutback
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@ -98,7 +96,7 @@ module crystallite
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type(tNumerics) :: num ! numerics parameters. Better name?
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procedure(), pointer :: integrateState
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procedure(integrateStateFPI), pointer :: integrateState
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public :: &
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crystallite_init, &
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@ -159,9 +157,7 @@ subroutine crystallite_init
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allocate(crystallite_orientation(cMax,iMax,eMax))
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allocate(crystallite_localPlasticity(cMax,iMax,eMax), source=.true.)
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allocate(crystallite_requested(cMax,iMax,eMax), source=.false.)
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allocate(crystallite_todo(cMax,iMax,eMax), source=.false.)
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allocate(crystallite_converged(cMax,iMax,eMax), source=.true.)
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num%subStepMinCryst = config_numerics%getFloat('substepmincryst', defaultVal=1.0e-3_pReal)
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@ -177,6 +173,8 @@ subroutine crystallite_init
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num%iJacoLpresiduum = config_numerics%getInt ('ijacolpresiduum', defaultVal=1)
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num%integrator = config_numerics%getInt ('integrator', defaultVal=1)
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num%nState = config_numerics%getInt ('nstate', defaultVal=20)
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num%nStress = config_numerics%getInt ('nstress', defaultVal=40)
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@ -193,10 +191,14 @@ subroutine crystallite_init
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if(num%iJacoLpresiduum < 1) call IO_error(301,ext_msg='iJacoLpresiduum')
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if(num%integrator < 1 .or. num%integrator > 5) &
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call IO_error(301,ext_msg='integrator')
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if(num%nState < 1) call IO_error(301,ext_msg='nState')
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if(num%nStress< 1) call IO_error(301,ext_msg='nStress')
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select case(numerics_integrator)
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select case(num%integrator)
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case(1)
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integrateState => integrateStateFPI
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case(2)
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@ -234,7 +236,6 @@ subroutine crystallite_init
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/ math_det33(crystallite_Fp0(1:3,1:3,c,i,e))**(1.0_pReal/3.0_pReal)
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crystallite_Fi0(1:3,1:3,c,i,e) = constitutive_initialFi(c,i,e)
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crystallite_F0(1:3,1:3,c,i,e) = math_I3
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crystallite_localPlasticity(c,i,e) = phase_localPlasticity(material_phaseAt(c,e))
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crystallite_Fe(1:3,1:3,c,i,e) = math_inv33(matmul(crystallite_Fi0(1:3,1:3,c,i,e), &
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crystallite_Fp0(1:3,1:3,c,i,e))) ! assuming that euler angles are given in internal strain free configuration
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crystallite_Fp(1:3,1:3,c,i,e) = crystallite_Fp0(1:3,1:3,c,i,e)
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@ -244,7 +245,7 @@ subroutine crystallite_init
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enddo
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!$OMP END PARALLEL DO
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if(any(.not. crystallite_localPlasticity) .and. .not. usePingPong) call IO_error(601) ! exit if nonlocal but no ping-pong ToDo: Why not check earlier? or in nonlocal?
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if(any(plasticState%nonlocal) .and. .not. usePingPong) call IO_error(601) ! exit if nonlocal but no ping-pong ToDo: Why not check earlier? or in nonlocal?
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crystallite_partionedFp0 = crystallite_Fp0
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crystallite_partionedFi0 = crystallite_Fi0
|
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|
@ -271,9 +272,8 @@ subroutine crystallite_init
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0) then
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write(6,'(a42,1x,i10)') ' # of elements: ', eMax
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write(6,'(a42,1x,i10)') 'max # of integration points/element: ', iMax
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write(6,'(a42,1x,i10)') ' # of integration points/element: ', iMax
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write(6,'(a42,1x,i10)') 'max # of constituents/integration point: ', cMax
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write(6,'(a42,1x,i10)') ' # of nonlocal constituents: ',count(.not. crystallite_localPlasticity)
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flush(6)
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endif
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|
@ -301,6 +301,7 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
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e, & !< counter in element loop
|
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startIP, endIP, &
|
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s
|
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logical, dimension(homogenization_maxNgrains,discretization_nIP,discretization_nElem) :: todo !ToDo: need to set some values to false for different Ngrains
|
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#ifdef DEBUG
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if (iand(debug_level(debug_crystallite),debug_levelSelective) /= 0 &
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|
@ -344,7 +345,7 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
|
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crystallite_subF0(1:3,1:3,c,i,e) = crystallite_partionedF0(1:3,1:3,c,i,e)
|
||||
crystallite_subFrac(c,i,e) = 0.0_pReal
|
||||
crystallite_subStep(c,i,e) = 1.0_pReal/num%subStepSizeCryst
|
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crystallite_todo(c,i,e) = .true.
|
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todo(c,i,e) = .true.
|
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crystallite_converged(c,i,e) = .false. ! pretend failed step of 1/subStepSizeCryst
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endif homogenizationRequestsCalculation
|
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enddo; enddo
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||||
|
@ -361,7 +362,7 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
|
|||
endif singleRun
|
||||
|
||||
NiterationCrystallite = 0
|
||||
cutbackLooping: do while (any(crystallite_todo(:,startIP:endIP,FEsolving_execELem(1):FEsolving_execElem(2))))
|
||||
cutbackLooping: do while (any(todo(:,startIP:endIP,FEsolving_execELem(1):FEsolving_execElem(2))))
|
||||
NiterationCrystallite = NiterationCrystallite + 1
|
||||
|
||||
#ifdef DEBUG
|
||||
|
@ -380,8 +381,8 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
|
|||
crystallite_subStep(c,i,e) = min(1.0_pReal - crystallite_subFrac(c,i,e), &
|
||||
num%stepIncreaseCryst * crystallite_subStep(c,i,e))
|
||||
|
||||
crystallite_todo(c,i,e) = crystallite_subStep(c,i,e) > 0.0_pReal ! still time left to integrate on?
|
||||
if (crystallite_todo(c,i,e)) then
|
||||
todo(c,i,e) = crystallite_subStep(c,i,e) > 0.0_pReal ! still time left to integrate on?
|
||||
if (todo(c,i,e)) then
|
||||
crystallite_subF0 (1:3,1:3,c,i,e) = crystallite_subF(1:3,1:3,c,i,e)
|
||||
crystallite_subLp0(1:3,1:3,c,i,e) = crystallite_Lp (1:3,1:3,c,i,e)
|
||||
crystallite_subLi0(1:3,1:3,c,i,e) = crystallite_Li (1:3,1:3,c,i,e)
|
||||
|
@ -415,12 +416,12 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
|
|||
enddo
|
||||
|
||||
! cant restore dotState here, since not yet calculated in first cutback after initialization
|
||||
crystallite_todo(c,i,e) = crystallite_subStep(c,i,e) > num%subStepMinCryst ! still on track or already done (beyond repair)
|
||||
todo(c,i,e) = crystallite_subStep(c,i,e) > num%subStepMinCryst ! still on track or already done (beyond repair)
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! prepare for integration
|
||||
if (crystallite_todo(c,i,e)) then
|
||||
if (todo(c,i,e)) then
|
||||
crystallite_subF(1:3,1:3,c,i,e) = crystallite_subF0(1:3,1:3,c,i,e) &
|
||||
+ crystallite_subStep(c,i,e) *( crystallite_partionedF (1:3,1:3,c,i,e) &
|
||||
-crystallite_partionedF0(1:3,1:3,c,i,e))
|
||||
|
@ -438,9 +439,9 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! integrate --- requires fully defined state array (basic + dependent state)
|
||||
if (any(crystallite_todo)) call integrateState ! TODO: unroll into proper elementloop to avoid N^2 for single point evaluation
|
||||
if (any(todo)) call integrateState(todo) ! TODO: unroll into proper elementloop to avoid N^2 for single point evaluation
|
||||
where(.not. crystallite_converged .and. crystallite_subStep > num%subStepMinCryst) & ! do not try non-converged but fully cutbacked any further
|
||||
crystallite_todo = .true. ! TODO: again unroll this into proper elementloop to avoid N^2 for single point evaluation
|
||||
todo = .true. ! TODO: again unroll this into proper elementloop to avoid N^2 for single point evaluation
|
||||
|
||||
|
||||
enddo cutbackLooping
|
||||
|
@ -610,14 +611,16 @@ subroutine crystallite_orientations
|
|||
enddo; enddo; enddo
|
||||
!$OMP END PARALLEL DO
|
||||
|
||||
nonlocalPresent: if (any(plasticState%nonLocal)) then
|
||||
nonlocalPresent: if (any(plasticState%nonlocal)) then
|
||||
!$OMP PARALLEL DO
|
||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
if (plasticState(material_phaseAt(1,e))%nonlocal) then
|
||||
do i = FEsolving_execIP(1),FEsolving_execIP(2)
|
||||
if (plasticState(material_phaseAt(1,e))%nonLocal) &
|
||||
call plastic_nonlocal_updateCompatibility(crystallite_orientation, &
|
||||
phase_plasticityInstance(material_phaseAt(i,e)),i,e)
|
||||
enddo; enddo
|
||||
enddo
|
||||
endif
|
||||
enddo
|
||||
!$OMP END PARALLEL DO
|
||||
endif nonlocalPresent
|
||||
|
||||
|
@ -777,7 +780,7 @@ end subroutine crystallite_results
|
|||
!> @brief calculation of stress (P) with time integration based on a residuum in Lp and
|
||||
!> intermediate acceleration of the Newton-Raphson correction
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
logical function integrateStress(ipc,ip,el,timeFraction)
|
||||
function integrateStress(ipc,ip,el,timeFraction) result(broken)
|
||||
|
||||
integer, intent(in):: el, & ! element index
|
||||
ip, & ! integration point index
|
||||
|
@ -834,9 +837,9 @@ logical function integrateStress(ipc,ip,el,timeFraction)
|
|||
p, &
|
||||
jacoCounterLp, &
|
||||
jacoCounterLi ! counters to check for Jacobian update
|
||||
logical :: error
|
||||
logical :: error,broken
|
||||
|
||||
integrateStress = .false.
|
||||
broken = .true.
|
||||
|
||||
if (present(timeFraction)) then
|
||||
dt = crystallite_subdt(ipc,ip,el) * timeFraction
|
||||
|
@ -847,6 +850,9 @@ logical function integrateStress(ipc,ip,el,timeFraction)
|
|||
F = crystallite_subF(1:3,1:3,ipc,ip,el)
|
||||
endif
|
||||
|
||||
call constitutive_dependentState(crystallite_partionedF(1:3,1:3,ipc,ip,el), &
|
||||
crystallite_Fp(1:3,1:3,ipc,ip,el),ipc,ip,el)
|
||||
|
||||
Lpguess = crystallite_Lp(1:3,1:3,ipc,ip,el) ! take as first guess
|
||||
Liguess = crystallite_Li(1:3,1:3,ipc,ip,el) ! take as first guess
|
||||
|
||||
|
@ -977,7 +983,6 @@ logical function integrateStress(ipc,ip,el,timeFraction)
|
|||
call math_invert33(Fp_new,devNull,error,invFp_new)
|
||||
if (error) return ! error
|
||||
|
||||
integrateStress = .true.
|
||||
crystallite_P (1:3,1:3,ipc,ip,el) = matmul(matmul(F,invFp_new),matmul(S,transpose(invFp_new)))
|
||||
crystallite_S (1:3,1:3,ipc,ip,el) = S
|
||||
crystallite_Lp (1:3,1:3,ipc,ip,el) = Lpguess
|
||||
|
@ -985,6 +990,7 @@ logical function integrateStress(ipc,ip,el,timeFraction)
|
|||
crystallite_Fp (1:3,1:3,ipc,ip,el) = Fp_new / math_det33(Fp_new)**(1.0_pReal/3.0_pReal) ! regularize
|
||||
crystallite_Fi (1:3,1:3,ipc,ip,el) = Fi_new
|
||||
crystallite_Fe (1:3,1:3,ipc,ip,el) = matmul(matmul(F,invFp_new),invFi_new)
|
||||
broken = .false.
|
||||
|
||||
end function integrateStress
|
||||
|
||||
|
@ -993,8 +999,9 @@ end function integrateStress
|
|||
!> @brief integrate stress, state with adaptive 1st order explicit Euler method
|
||||
!> using Fixed Point Iteration to adapt the stepsize
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine integrateStateFPI
|
||||
subroutine integrateStateFPI(todo)
|
||||
|
||||
logical, dimension(:,:,:), intent(in) :: todo
|
||||
integer :: &
|
||||
NiterationState, & !< number of iterations in state loop
|
||||
e, & !< element index in element loop
|
||||
|
@ -1003,118 +1010,107 @@ subroutine integrateStateFPI
|
|||
p, &
|
||||
c, &
|
||||
s, &
|
||||
sizeDotState
|
||||
size_pl
|
||||
integer, dimension(maxval(phase_Nsources)) :: &
|
||||
size_so
|
||||
real(pReal) :: &
|
||||
zeta
|
||||
real(pReal), dimension(max(constitutive_plasticity_maxSizeDotState,constitutive_source_maxSizeDotState)) :: &
|
||||
r ! state residuum
|
||||
real(pReal), dimension(:), allocatable :: plastic_dotState_p1, plastic_dotState_p2
|
||||
real(pReal), dimension(constitutive_plasticity_maxSizeDotState,2) :: &
|
||||
plastic_dotState
|
||||
real(pReal), dimension(constitutive_source_maxSizeDotState,2,maxval(phase_Nsources)) :: source_dotState
|
||||
logical :: &
|
||||
nonlocalBroken
|
||||
nonlocalBroken, broken
|
||||
|
||||
nonlocalBroken = .false.
|
||||
!$OMP PARALLEL DO PRIVATE(sizeDotState,r,zeta,p,c,plastic_dotState_p1, plastic_dotState_p2,source_dotState)
|
||||
!$OMP PARALLEL DO PRIVATE(size_pl,size_so,r,zeta,p,c,plastic_dotState,source_dotState,broken)
|
||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
do i = FEsolving_execIP(1),FEsolving_execIP(2)
|
||||
do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
|
||||
if(crystallite_todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
|
||||
p = material_phaseAt(g,e)
|
||||
if(todo(g,i,e) .and. .not. (nonlocalBroken .and. plasticState(p)%nonlocal)) then
|
||||
|
||||
p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
|
||||
c = material_phaseMemberAt(g,i,e)
|
||||
|
||||
call constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
broken = constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedF0, &
|
||||
crystallite_Fi(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedFp0, &
|
||||
crystallite_subdt(g,i,e), g,i,e)
|
||||
crystallite_todo(g,i,e) = all(.not. IEEE_is_NaN(plasticState(p)%dotState(:,c)))
|
||||
do s = 1, phase_Nsources(p)
|
||||
crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and. all(.not. IEEE_is_NaN(sourceState(p)%p(s)%dotState(:,c)))
|
||||
enddo
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
if(.not. crystallite_todo(g,i,e)) cycle
|
||||
crystallite_subdt(g,i,e), g,i,e,p,c)
|
||||
if(broken .and. plasticState(p)%nonlocal) nonlocalBroken = .true.
|
||||
if(broken) cycle
|
||||
|
||||
sizeDotState = plasticState(p)%sizeDotState
|
||||
plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%subState0(1:sizeDotState,c) &
|
||||
+ plasticState(p)%dotState (1:sizeDotState,c) &
|
||||
size_pl = plasticState(p)%sizeDotState
|
||||
plasticState(p)%state(1:size_pl,c) = plasticState(p)%subState0(1:size_pl,c) &
|
||||
+ plasticState(p)%dotState (1:size_pl,c) &
|
||||
* crystallite_subdt(g,i,e)
|
||||
plastic_dotState_p2 = 0.0_pReal * plasticState(p)%dotState (1:sizeDotState,c) ! ToDo can be done smarter/clearer
|
||||
plastic_dotState(1:size_pl,2) = 0.0_pReal
|
||||
do s = 1, phase_Nsources(p)
|
||||
sizeDotState = sourceState(p)%p(s)%sizeDotState
|
||||
sourceState(p)%p(s)%state(1:sizeDotState,c) = sourceState(p)%p(s)%subState0(1:sizeDotState,c) &
|
||||
+ sourceState(p)%p(s)%dotState (1:sizeDotState,c) &
|
||||
size_so(s) = sourceState(p)%p(s)%sizeDotState
|
||||
sourceState(p)%p(s)%state(1:size_so(s),c) = sourceState(p)%p(s)%subState0(1:size_so(s),c) &
|
||||
+ sourceState(p)%p(s)%dotState (1:size_so(s),c) &
|
||||
* crystallite_subdt(g,i,e)
|
||||
source_dotState(1:sizeDotState,2,s) = 0.0_pReal
|
||||
source_dotState(1:size_so(s),2,s) = 0.0_pReal
|
||||
enddo
|
||||
|
||||
iteration: do NiterationState = 1, num%nState
|
||||
|
||||
if(nIterationState > 1) plastic_dotState_p2 = plastic_dotState_p1
|
||||
plastic_dotState_p1 = plasticState(p)%dotState(:,c)
|
||||
if(nIterationState > 1) plastic_dotState(1:size_pl,2) = plastic_dotState(1:size_pl,1)
|
||||
plastic_dotState(1:size_pl,1) = plasticState(p)%dotState(:,c)
|
||||
do s = 1, phase_Nsources(p)
|
||||
sizeDotState = sourceState(p)%p(s)%sizeDotState
|
||||
if(nIterationState > 1) source_dotState(1:sizeDotState,2,s) = source_dotState(1:sizeDotState,1,s)
|
||||
source_dotState(1:sizeDotState,1,s) = sourceState(p)%p(s)%dotState(:,c)
|
||||
if(nIterationState > 1) source_dotState(1:size_so(s),2,s) = source_dotState(1:size_so(s),1,s)
|
||||
source_dotState(1:size_so(s),1,s) = sourceState(p)%p(s)%dotState(:,c)
|
||||
enddo
|
||||
|
||||
call constitutive_dependentState(crystallite_partionedF(1:3,1:3,g,i,e), &
|
||||
crystallite_Fp(1:3,1:3,g,i,e), &
|
||||
g, i, e)
|
||||
broken = integrateStress(g,i,e)
|
||||
if(broken) exit iteration
|
||||
|
||||
crystallite_todo(g,i,e) = integrateStress(g,i,e)
|
||||
if(.not. crystallite_todo(g,i,e)) exit iteration
|
||||
|
||||
call constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
broken = constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedF0, &
|
||||
crystallite_Fi(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedFp0, &
|
||||
crystallite_subdt(g,i,e), g,i,e)
|
||||
crystallite_todo(g,i,e) = all(.not. IEEE_is_NaN(plasticState(p)%dotState(:,c)))
|
||||
do s = 1, phase_Nsources(p)
|
||||
crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and. all(.not. IEEE_is_NaN(sourceState(p)%p(s)%dotState(:,c)))
|
||||
enddo
|
||||
if(.not. crystallite_todo(g,i,e)) exit iteration
|
||||
crystallite_subdt(g,i,e), g,i,e,p,c)
|
||||
if(broken) exit iteration
|
||||
|
||||
sizeDotState = plasticState(p)%sizeDotState
|
||||
zeta = damper(plasticState(p)%dotState(:,c),plastic_dotState_p1,plastic_dotState_p2)
|
||||
zeta = damper(plasticState(p)%dotState(:,c),plastic_dotState(1:size_pl,1),&
|
||||
plastic_dotState(1:size_pl,2))
|
||||
plasticState(p)%dotState(:,c) = plasticState(p)%dotState(:,c) * zeta &
|
||||
+ plastic_dotState_p1 * (1.0_pReal - zeta)
|
||||
r(1:SizeDotState) = plasticState(p)%state (1:sizeDotState,c) &
|
||||
- plasticState(p)%subState0(1:sizeDotState,c) &
|
||||
- plasticState(p)%dotState (1:sizeDotState,c) * crystallite_subdt(g,i,e)
|
||||
plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%state(1:sizeDotState,c) &
|
||||
- r(1:sizeDotState)
|
||||
crystallite_converged(g,i,e) = converged(r(1:sizeDotState), &
|
||||
plasticState(p)%state(1:sizeDotState,c), &
|
||||
plasticState(p)%atol(1:sizeDotState))
|
||||
+ plastic_dotState(1:size_pl,1) * (1.0_pReal - zeta)
|
||||
r(1:size_pl) = plasticState(p)%state (1:size_pl,c) &
|
||||
- plasticState(p)%subState0(1:size_pl,c) &
|
||||
- plasticState(p)%dotState (1:size_pl,c) * crystallite_subdt(g,i,e)
|
||||
plasticState(p)%state(1:size_pl,c) = plasticState(p)%state(1:size_pl,c) &
|
||||
- r(1:size_pl)
|
||||
crystallite_converged(g,i,e) = converged(r(1:size_pl), &
|
||||
plasticState(p)%state(1:size_pl,c), &
|
||||
plasticState(p)%atol(1:size_pl))
|
||||
do s = 1, phase_Nsources(p)
|
||||
sizeDotState = sourceState(p)%p(s)%sizeDotState
|
||||
zeta = damper(sourceState(p)%p(s)%dotState(:,c), &
|
||||
source_dotState(1:sizeDotState,1,s),&
|
||||
source_dotState(1:sizeDotState,2,s))
|
||||
source_dotState(1:size_so(s),1,s),&
|
||||
source_dotState(1:size_so(s),2,s))
|
||||
sourceState(p)%p(s)%dotState(:,c) = sourceState(p)%p(s)%dotState(:,c) * zeta &
|
||||
+ source_dotState(1:sizeDotState,1,s)* (1.0_pReal - zeta)
|
||||
r(1:sizeDotState) = sourceState(p)%p(s)%state (1:sizeDotState,c) &
|
||||
- sourceState(p)%p(s)%subState0(1:sizeDotState,c) &
|
||||
- sourceState(p)%p(s)%dotState (1:sizeDotState,c) * crystallite_subdt(g,i,e)
|
||||
sourceState(p)%p(s)%state(1:sizeDotState,c) = sourceState(p)%p(s)%state(1:sizeDotState,c) &
|
||||
- r(1:sizeDotState)
|
||||
+ source_dotState(1:size_so(s),1,s)* (1.0_pReal - zeta)
|
||||
r(1:size_so(s)) = sourceState(p)%p(s)%state (1:size_so(s),c) &
|
||||
- sourceState(p)%p(s)%subState0(1:size_so(s),c) &
|
||||
- sourceState(p)%p(s)%dotState (1:size_so(s),c) * crystallite_subdt(g,i,e)
|
||||
sourceState(p)%p(s)%state(1:size_so(s),c) = sourceState(p)%p(s)%state(1:size_so(s),c) &
|
||||
- r(1:size_so(s))
|
||||
crystallite_converged(g,i,e) = &
|
||||
crystallite_converged(g,i,e) .and. converged(r(1:sizeDotState), &
|
||||
sourceState(p)%p(s)%state(1:sizeDotState,c), &
|
||||
sourceState(p)%p(s)%atol(1:sizeDotState))
|
||||
crystallite_converged(g,i,e) .and. converged(r(1:size_so(s)), &
|
||||
sourceState(p)%p(s)%state(1:size_so(s),c), &
|
||||
sourceState(p)%p(s)%atol(1:size_so(s)))
|
||||
enddo
|
||||
|
||||
if(crystallite_converged(g,i,e)) then
|
||||
crystallite_todo(g,i,e) = stateJump(g,i,e)
|
||||
broken = constitutive_deltaState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
crystallite_Fe(1:3,1:3,g,i,e), &
|
||||
crystallite_Fi(1:3,1:3,g,i,e),g,i,e,p,c)
|
||||
exit iteration
|
||||
endif
|
||||
|
||||
enddo iteration
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
|
||||
if(broken .and. plasticState(p)%nonlocal) nonlocalBroken = .true.
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP END PARALLEL DO
|
||||
|
@ -1149,7 +1145,9 @@ end subroutine integrateStateFPI
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief integrate state with 1st order explicit Euler method
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine integrateStateEuler
|
||||
subroutine integrateStateEuler(todo)
|
||||
|
||||
logical, dimension(:,:,:), intent(in) :: todo
|
||||
|
||||
integer :: &
|
||||
e, & !< element index in element loop
|
||||
|
@ -1160,29 +1158,25 @@ subroutine integrateStateEuler
|
|||
s, &
|
||||
sizeDotState
|
||||
logical :: &
|
||||
nonlocalBroken
|
||||
nonlocalBroken, broken
|
||||
|
||||
nonlocalBroken = .false.
|
||||
!$OMP PARALLEL DO PRIVATE (sizeDotState,p,c)
|
||||
!$OMP PARALLEL DO PRIVATE (sizeDotState,p,c,broken)
|
||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
do i = FEsolving_execIP(1),FEsolving_execIP(2)
|
||||
do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
|
||||
if(crystallite_todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
|
||||
p = material_phaseAt(g,e)
|
||||
if(todo(g,i,e) .and. .not. (nonlocalBroken .and. plasticState(p)%nonlocal)) then
|
||||
|
||||
p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
|
||||
c = material_phaseMemberAt(g,i,e)
|
||||
|
||||
call constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
broken = constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedF0, &
|
||||
crystallite_Fi(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedFp0, &
|
||||
crystallite_subdt(g,i,e), g,i,e)
|
||||
crystallite_todo(g,i,e) = all(.not. IEEE_is_NaN(plasticState(p)%dotState(:,c)))
|
||||
do s = 1, phase_Nsources(p)
|
||||
crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and. all(.not. IEEE_is_NaN(sourceState(p)%p(s)%dotState(:,c)))
|
||||
enddo
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
if(.not. crystallite_todo(g,i,e)) cycle
|
||||
crystallite_subdt(g,i,e), g,i,e,p,c)
|
||||
if(broken .and. plasticState(p)%nonlocal) nonlocalBroken = .true.
|
||||
if(broken) cycle
|
||||
|
||||
sizeDotState = plasticState(p)%sizeDotState
|
||||
plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%subState0(1:sizeDotState,c) &
|
||||
|
@ -1195,21 +1189,15 @@ subroutine integrateStateEuler
|
|||
* crystallite_subdt(g,i,e)
|
||||
enddo
|
||||
|
||||
crystallite_todo(g,i,e) = stateJump(g,i,e)
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
if(.not. crystallite_todo(g,i,e)) cycle
|
||||
|
||||
call constitutive_dependentState(crystallite_partionedF(1:3,1:3,g,i,e), &
|
||||
crystallite_Fp(1:3,1:3,g,i,e), &
|
||||
g, i, e)
|
||||
|
||||
crystallite_todo(g,i,e) = integrateStress(g,i,e)
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
|
||||
crystallite_converged(g,i,e) = crystallite_todo(g,i,e)
|
||||
broken = constitutive_deltaState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
crystallite_Fe(1:3,1:3,g,i,e), &
|
||||
crystallite_Fi(1:3,1:3,g,i,e),g,i,e,p,c)
|
||||
if(broken .and. plasticState(p)%nonlocal) nonlocalBroken = .true.
|
||||
if(broken) cycle
|
||||
|
||||
broken = integrateStress(g,i,e)
|
||||
if(broken .and. plasticState(p)%nonlocal) nonlocalBroken = .true.
|
||||
crystallite_converged(g,i,e) = .not. broken
|
||||
endif
|
||||
enddo; enddo; enddo
|
||||
!$OMP END PARALLEL DO
|
||||
|
@ -1222,7 +1210,9 @@ end subroutine integrateStateEuler
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief integrate stress, state with 1st order Euler method with adaptive step size
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine integrateStateAdaptiveEuler
|
||||
subroutine integrateStateAdaptiveEuler(todo)
|
||||
|
||||
logical, dimension(:,:,:), intent(in) :: todo
|
||||
|
||||
integer :: &
|
||||
e, & ! element index in element loop
|
||||
|
@ -1233,32 +1223,28 @@ subroutine integrateStateAdaptiveEuler
|
|||
s, &
|
||||
sizeDotState
|
||||
logical :: &
|
||||
nonlocalBroken
|
||||
nonlocalBroken, broken
|
||||
|
||||
real(pReal), dimension(constitutive_plasticity_maxSizeDotState) :: residuum_plastic
|
||||
real(pReal), dimension(constitutive_source_maxSizeDotState,maxval(phase_Nsources)) :: residuum_source
|
||||
|
||||
nonlocalBroken = .false.
|
||||
!$OMP PARALLEL DO PRIVATE(sizeDotState,p,c,residuum_plastic,residuum_source)
|
||||
!$OMP PARALLEL DO PRIVATE(sizeDotState,p,c,residuum_plastic,residuum_source,broken)
|
||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
do i = FEsolving_execIP(1),FEsolving_execIP(2)
|
||||
do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
|
||||
if(crystallite_todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
|
||||
broken = .false.
|
||||
p = material_phaseAt(g,e)
|
||||
if(todo(g,i,e) .and. .not. (nonlocalBroken .and. plasticState(p)%nonlocal)) then
|
||||
|
||||
p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
|
||||
c = material_phaseMemberAt(g,i,e)
|
||||
|
||||
call constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
broken = constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedF0, &
|
||||
crystallite_Fi(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedFp0, &
|
||||
crystallite_subdt(g,i,e), g,i,e)
|
||||
crystallite_todo(g,i,e) = all(.not. IEEE_is_NaN(plasticState(p)%dotState(:,c)))
|
||||
do s = 1, phase_Nsources(p)
|
||||
crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and. all(.not. IEEE_is_NaN(sourceState(p)%p(s)%dotState(:,c)))
|
||||
enddo
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
if(.not. crystallite_todo(g,i,e)) cycle
|
||||
crystallite_subdt(g,i,e), g,i,e,p,c)
|
||||
if(broken) cycle
|
||||
|
||||
sizeDotState = plasticState(p)%sizeDotState
|
||||
|
||||
|
@ -1274,36 +1260,23 @@ subroutine integrateStateAdaptiveEuler
|
|||
+ sourceState(p)%p(s)%dotstate(1:sizeDotState,c) * crystallite_subdt(g,i,e)
|
||||
enddo
|
||||
|
||||
crystallite_todo(g,i,e) = stateJump(g,i,e)
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
if(.not. crystallite_todo(g,i,e)) cycle
|
||||
broken = constitutive_deltaState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
crystallite_Fe(1:3,1:3,g,i,e), &
|
||||
crystallite_Fi(1:3,1:3,g,i,e),g,i,e,p,c)
|
||||
if(broken) cycle
|
||||
|
||||
call constitutive_dependentState(crystallite_partionedF(1:3,1:3,g,i,e), &
|
||||
crystallite_Fp(1:3,1:3,g,i,e), &
|
||||
g, i, e)
|
||||
broken = integrateStress(g,i,e)
|
||||
if(broken) cycle
|
||||
|
||||
crystallite_todo(g,i,e) = integrateStress(g,i,e)
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
if(.not. crystallite_todo(g,i,e)) cycle
|
||||
|
||||
call constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
broken = constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedF0, &
|
||||
crystallite_Fi(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedFp0, &
|
||||
crystallite_subdt(g,i,e), g,i,e)
|
||||
crystallite_todo(g,i,e) = all(.not. IEEE_is_NaN(plasticState(p)%dotState(:,c)))
|
||||
do s = 1, phase_Nsources(p)
|
||||
crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and. all(.not. IEEE_is_NaN(sourceState(p)%p(s)%dotState(:,c)))
|
||||
enddo
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
if(.not. crystallite_todo(g,i,e)) cycle
|
||||
crystallite_subdt(g,i,e), g,i,e,p,c)
|
||||
if(broken) cycle
|
||||
|
||||
|
||||
sizeDotState = plasticState(p)%sizeDotState
|
||||
|
||||
crystallite_converged(g,i,e) = converged(residuum_plastic(1:sizeDotState) &
|
||||
+ 0.5_pReal * plasticState(p)%dotState(:,c) * crystallite_subdt(g,i,e), &
|
||||
plasticState(p)%state(1:sizeDotState,c), &
|
||||
|
@ -1311,7 +1284,6 @@ subroutine integrateStateAdaptiveEuler
|
|||
|
||||
do s = 1, phase_Nsources(p)
|
||||
sizeDotState = sourceState(p)%p(s)%sizeDotState
|
||||
|
||||
crystallite_converged(g,i,e) = &
|
||||
crystallite_converged(g,i,e) .and. converged(residuum_source(1:sizeDotState,s) &
|
||||
+ 0.5_pReal*sourceState(p)%p(s)%dotState(:,c)*crystallite_subdt(g,i,e), &
|
||||
|
@ -1320,6 +1292,7 @@ subroutine integrateStateAdaptiveEuler
|
|||
enddo
|
||||
|
||||
endif
|
||||
if(broken .and. plasticState(p)%nonlocal) nonlocalBroken = .true.
|
||||
enddo; enddo; enddo
|
||||
!$OMP END PARALLEL DO
|
||||
|
||||
|
@ -1331,7 +1304,9 @@ end subroutine integrateStateAdaptiveEuler
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief integrate stress, state with 4th order explicit Runge Kutta method
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine integrateStateRK4
|
||||
subroutine integrateStateRK4(todo)
|
||||
|
||||
logical, dimension(:,:,:), intent(in) :: todo
|
||||
|
||||
real(pReal), dimension(3,3), parameter :: &
|
||||
A = reshape([&
|
||||
|
@ -1355,31 +1330,28 @@ subroutine integrateStateRK4
|
|||
s, &
|
||||
sizeDotState
|
||||
logical :: &
|
||||
nonlocalBroken
|
||||
nonlocalBroken, broken
|
||||
|
||||
real(pReal), dimension(constitutive_plasticity_maxSizeDotState,4) :: plastic_RK4dotState
|
||||
real(pReal), dimension(constitutive_source_maxSizeDotState,4,maxval(phase_Nsources)) :: source_RK4dotState
|
||||
real(pReal), dimension(constitutive_plasticity_maxSizeDotState,4) :: plastic_RK4dotState
|
||||
nonlocalBroken = .false.
|
||||
!$OMP PARALLEL DO PRIVATE(sizeDotState,p,c,plastic_RK4dotState,source_RK4dotState)
|
||||
!$OMP PARALLEL DO PRIVATE(sizeDotState,p,c,source_RK4dotState,plastic_RK4dotState,broken)
|
||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
do i = FEsolving_execIP(1),FEsolving_execIP(2)
|
||||
do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
|
||||
if(crystallite_todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
|
||||
broken = .false.
|
||||
p = material_phaseAt(g,e)
|
||||
if(todo(g,i,e) .and. .not. (nonlocalBroken .and. plasticState(p)%nonlocal)) then
|
||||
|
||||
p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
|
||||
c = material_phaseMemberAt(g,i,e)
|
||||
|
||||
call constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
|
||||
broken = constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedF0, &
|
||||
crystallite_Fi(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedFp0, &
|
||||
crystallite_subdt(g,i,e), g,i,e)
|
||||
crystallite_todo(g,i,e) = all(.not. IEEE_is_NaN(plasticState(p)%dotState(:,c)))
|
||||
do s = 1, phase_Nsources(p)
|
||||
crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and. all(.not. IEEE_is_NaN(sourceState(p)%p(s)%dotState(:,c)))
|
||||
enddo
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
if(.not. crystallite_todo(g,i,e)) cycle
|
||||
crystallite_subdt(g,i,e), g,i,e,p,c)
|
||||
if(broken) cycle
|
||||
|
||||
do stage = 1,3
|
||||
sizeDotState = plasticState(p)%sizeDotState
|
||||
|
@ -1413,31 +1385,18 @@ subroutine integrateStateRK4
|
|||
* crystallite_subdt(g,i,e)
|
||||
enddo
|
||||
|
||||
call constitutive_dependentState(crystallite_partionedF(1:3,1:3,g,i,e), &
|
||||
crystallite_Fp(1:3,1:3,g,i,e), &
|
||||
g, i, e)
|
||||
broken = integrateStress(g,i,e,CC(stage))
|
||||
if(broken) exit
|
||||
|
||||
crystallite_todo(g,i,e) = integrateStress(g,i,e,CC(stage))
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
if(.not. crystallite_todo(g,i,e)) exit
|
||||
|
||||
call constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
broken = constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedF0, &
|
||||
crystallite_Fi(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedFp0, &
|
||||
crystallite_subdt(g,i,e)*CC(stage), g,i,e)
|
||||
crystallite_todo(g,i,e) = all(.not. IEEE_is_NaN(plasticState(p)%dotState(:,c)))
|
||||
do s = 1, phase_Nsources(p)
|
||||
crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and. all(.not. IEEE_is_NaN(sourceState(p)%p(s)%dotState(:,c)))
|
||||
enddo
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
if(.not. crystallite_todo(g,i,e)) exit
|
||||
crystallite_subdt(g,i,e)*CC(stage), g,i,e,p,c)
|
||||
if(broken) exit
|
||||
|
||||
enddo
|
||||
|
||||
if(.not. crystallite_todo(g,i,e)) cycle
|
||||
if(broken) cycle
|
||||
|
||||
sizeDotState = plasticState(p)%sizeDotState
|
||||
|
||||
|
@ -1459,25 +1418,16 @@ subroutine integrateStateRK4
|
|||
* crystallite_subdt(g,i,e)
|
||||
enddo
|
||||
|
||||
crystallite_todo(g,i,e) = stateJump(g,i,e)
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
if(.not. crystallite_todo(g,i,e)) cycle
|
||||
broken = constitutive_deltaState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
crystallite_Fe(1:3,1:3,g,i,e), &
|
||||
crystallite_Fi(1:3,1:3,g,i,e),g,i,e,p,c)
|
||||
if(broken) cycle
|
||||
|
||||
call constitutive_dependentState(crystallite_partionedF(1:3,1:3,g,i,e), &
|
||||
crystallite_Fp(1:3,1:3,g,i,e), &
|
||||
g, i, e)
|
||||
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
if(.not. crystallite_todo(g,i,e)) cycle
|
||||
|
||||
crystallite_todo(g,i,e) = integrateStress(g,i,e)
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
crystallite_converged(g,i,e) = crystallite_todo(g,i,e) ! consider converged if not broken
|
||||
broken = integrateStress(g,i,e)
|
||||
crystallite_converged(g,i,e) = .not. broken
|
||||
|
||||
endif
|
||||
if(broken .and. plasticState(p)%nonlocal) nonlocalBroken = .true.
|
||||
enddo; enddo; enddo
|
||||
!$OMP END PARALLEL DO
|
||||
|
||||
|
@ -1490,7 +1440,9 @@ end subroutine integrateStateRK4
|
|||
!> @brief integrate stress, state with 5th order Runge-Kutta Cash-Karp method with
|
||||
!> adaptive step size (use 5th order solution to advance = "local extrapolation")
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine integrateStateRKCK45
|
||||
subroutine integrateStateRKCK45(todo)
|
||||
|
||||
logical, dimension(:,:,:), intent(in) :: todo
|
||||
|
||||
real(pReal), dimension(5,5), parameter :: &
|
||||
A = reshape([&
|
||||
|
@ -1523,31 +1475,27 @@ subroutine integrateStateRKCK45
|
|||
s, &
|
||||
sizeDotState
|
||||
logical :: &
|
||||
nonlocalBroken
|
||||
real(pReal), dimension(constitutive_plasticity_maxSizeDotState,6) :: plastic_RKdotState
|
||||
nonlocalBroken, broken
|
||||
real(pReal), dimension(constitutive_source_maxSizeDotState,6,maxval(phase_Nsources)) :: source_RKdotState
|
||||
real(pReal), dimension(constitutive_plasticity_maxSizeDotState,6) :: plastic_RKdotState
|
||||
|
||||
nonlocalBroken = .false.
|
||||
!$OMP PARALLEL DO PRIVATE(sizeDotState,p,c,plastic_RKdotState,source_RKdotState)
|
||||
!$OMP PARALLEL DO PRIVATE(sizeDotState,p,c,plastic_RKdotState,source_RKdotState,broken)
|
||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
do i = FEsolving_execIP(1),FEsolving_execIP(2)
|
||||
do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
|
||||
if(crystallite_todo(g,i,e) .and. (.not. nonlocalBroken .or. crystallite_localPlasticity(g,i,e)) ) then
|
||||
broken = .false.
|
||||
p = material_phaseAt(g,e)
|
||||
if(todo(g,i,e) .and. .not. (nonlocalBroken .and. plasticState(p)%nonlocal)) then
|
||||
|
||||
p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
|
||||
c = material_phaseMemberAt(g,i,e)
|
||||
|
||||
call constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
broken = constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedF0, &
|
||||
crystallite_Fi(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedFp0, &
|
||||
crystallite_subdt(g,i,e), g,i,e)
|
||||
crystallite_todo(g,i,e) = all(.not. IEEE_is_NaN(plasticState(p)%dotState(:,c)))
|
||||
do s = 1, phase_Nsources(p)
|
||||
crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and. all(.not. IEEE_is_NaN(sourceState(p)%p(s)%dotState(:,c)))
|
||||
enddo
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
if(.not. crystallite_todo(g,i,e)) cycle
|
||||
crystallite_subdt(g,i,e), g,i,e,p,c)
|
||||
if(broken) cycle
|
||||
|
||||
do stage = 1,5
|
||||
sizeDotState = plasticState(p)%sizeDotState
|
||||
|
@ -1581,31 +1529,18 @@ subroutine integrateStateRKCK45
|
|||
* crystallite_subdt(g,i,e)
|
||||
enddo
|
||||
|
||||
call constitutive_dependentState(crystallite_partionedF(1:3,1:3,g,i,e), &
|
||||
crystallite_Fp(1:3,1:3,g,i,e), &
|
||||
g, i, e)
|
||||
broken = integrateStress(g,i,e,CC(stage))
|
||||
if(broken) exit
|
||||
|
||||
crystallite_todo(g,i,e) = integrateStress(g,i,e,CC(stage))
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
if(.not. crystallite_todo(g,i,e)) exit
|
||||
|
||||
call constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
broken = constitutive_collectDotState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedF0, &
|
||||
crystallite_Fi(1:3,1:3,g,i,e), &
|
||||
crystallite_partionedFp0, &
|
||||
crystallite_subdt(g,i,e)*CC(stage), g,i,e)
|
||||
crystallite_todo(g,i,e) = all(.not. IEEE_is_NaN(plasticState(p)%dotState(:,c)))
|
||||
do s = 1, phase_Nsources(p)
|
||||
crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and. all(.not. IEEE_is_NaN(sourceState(p)%p(s)%dotState(:,c)))
|
||||
enddo
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
if(.not. crystallite_todo(g,i,e)) exit
|
||||
crystallite_subdt(g,i,e)*CC(stage), g,i,e,p,c)
|
||||
if(broken) exit
|
||||
|
||||
enddo
|
||||
|
||||
if(.not. crystallite_todo(g,i,e)) cycle
|
||||
if(broken) cycle
|
||||
|
||||
sizeDotState = plasticState(p)%sizeDotState
|
||||
|
||||
|
@ -1614,7 +1549,7 @@ subroutine integrateStateRKCK45
|
|||
plasticState(p)%state(1:sizeDotState,c) = plasticState(p)%subState0(1:sizeDotState,c) &
|
||||
+ plasticState(p)%dotState (1:sizeDotState,c) &
|
||||
* crystallite_subdt(g,i,e)
|
||||
crystallite_todo(g,i,e) = converged( matmul(plastic_RKdotState(1:sizeDotState,1:6),DB) &
|
||||
broken = .not. converged( matmul(plastic_RKdotState(1:sizeDotState,1:6),DB) &
|
||||
* crystallite_subdt(g,i,e), &
|
||||
plasticState(p)%state(1:sizeDotState,c), &
|
||||
plasticState(p)%atol(1:sizeDotState))
|
||||
|
@ -1627,31 +1562,24 @@ subroutine integrateStateRKCK45
|
|||
sourceState(p)%p(s)%state(1:sizeDotState,c) = sourceState(p)%p(s)%subState0(1:sizeDotState,c) &
|
||||
+ sourceState(p)%p(s)%dotState (1:sizeDotState,c) &
|
||||
* crystallite_subdt(g,i,e)
|
||||
crystallite_todo(g,i,e) = crystallite_todo(g,i,e) .and. &
|
||||
broken = broken .and. .not. &
|
||||
converged(matmul(source_RKdotState(1:sizeDotState,1:6,s),DB) &
|
||||
* crystallite_subdt(g,i,e), &
|
||||
sourceState(p)%p(s)%state(1:sizeDotState,c), &
|
||||
sourceState(p)%p(s)%atol(1:sizeDotState))
|
||||
enddo
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
if(.not. crystallite_todo(g,i,e)) cycle
|
||||
if(broken) cycle
|
||||
|
||||
crystallite_todo(g,i,e) = stateJump(g,i,e)
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
if(.not. crystallite_todo(g,i,e)) cycle
|
||||
broken = constitutive_deltaState(crystallite_S(1:3,1:3,g,i,e), &
|
||||
crystallite_Fe(1:3,1:3,g,i,e), &
|
||||
crystallite_Fi(1:3,1:3,g,i,e),g,i,e,p,c)
|
||||
if(broken) cycle
|
||||
|
||||
call constitutive_dependentState(crystallite_partionedF(1:3,1:3,g,i,e), &
|
||||
crystallite_Fp(1:3,1:3,g,i,e), &
|
||||
g, i, e)
|
||||
|
||||
crystallite_todo(g,i,e) = integrateStress(g,i,e)
|
||||
if(.not. (crystallite_todo(g,i,e) .or. crystallite_localPlasticity(g,i,e))) &
|
||||
nonlocalBroken = .true.
|
||||
crystallite_converged(g,i,e) = crystallite_todo(g,i,e) ! consider converged if not broken
|
||||
broken = integrateStress(g,i,e)
|
||||
crystallite_converged(g,i,e) = .not. broken
|
||||
|
||||
endif
|
||||
if(broken .and. plasticState(p)%nonlocal) nonlocalBroken = .true.
|
||||
enddo; enddo; enddo
|
||||
!$OMP END PARALLEL DO
|
||||
|
||||
|
@ -1666,7 +1594,16 @@ end subroutine integrateStateRKCK45
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine nonlocalConvergenceCheck
|
||||
|
||||
where( .not. crystallite_localPlasticity) crystallite_converged = .false.
|
||||
integer :: e,i,p
|
||||
|
||||
!$OMP PARALLEL DO PRIVATE(p)
|
||||
do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
p = material_phaseAt(1,e)
|
||||
do i = FEsolving_execIP(1),FEsolving_execIP(2)
|
||||
if(plasticState(p)%nonlocal) crystallite_converged(1,i,e) = .false.
|
||||
enddo
|
||||
enddo
|
||||
!$OMP END PARALLEL DO
|
||||
|
||||
end subroutine nonlocalConvergenceCheck
|
||||
|
||||
|
@ -1688,59 +1625,6 @@ logical pure function converged(residuum,state,atol)
|
|||
end function converged
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates a jump in the state according to the current state and the current stress
|
||||
!> returns true, if state jump was successfull or not needed. false indicates NaN in delta state
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
logical function stateJump(ipc,ip,el)
|
||||
|
||||
integer, intent(in):: &
|
||||
el, & ! element index
|
||||
ip, & ! integration point index
|
||||
ipc ! grain index
|
||||
|
||||
integer :: &
|
||||
c, &
|
||||
p, &
|
||||
mySource, &
|
||||
myOffset, &
|
||||
mySize
|
||||
|
||||
c = material_phaseMemberAt(ipc,ip,el)
|
||||
p = material_phaseAt(ipc,el)
|
||||
|
||||
call constitutive_collectDeltaState(crystallite_S(1:3,1:3,ipc,ip,el), &
|
||||
crystallite_Fe(1:3,1:3,ipc,ip,el), &
|
||||
crystallite_Fi(1:3,1:3,ipc,ip,el), &
|
||||
ipc,ip,el)
|
||||
|
||||
myOffset = plasticState(p)%offsetDeltaState
|
||||
mySize = plasticState(p)%sizeDeltaState
|
||||
|
||||
if( any(IEEE_is_NaN(plasticState(p)%deltaState(1:mySize,c)))) then
|
||||
stateJump = .false.
|
||||
return
|
||||
endif
|
||||
|
||||
plasticState(p)%state(myOffset + 1:myOffset + mySize,c) = &
|
||||
plasticState(p)%state(myOffset + 1:myOffset + mySize,c) + plasticState(p)%deltaState(1:mySize,c)
|
||||
|
||||
do mySource = 1, phase_Nsources(p)
|
||||
myOffset = sourceState(p)%p(mySource)%offsetDeltaState
|
||||
mySize = sourceState(p)%p(mySource)%sizeDeltaState
|
||||
if (any(IEEE_is_NaN(sourceState(p)%p(mySource)%deltaState(1:mySize,c)))) then
|
||||
stateJump = .false.
|
||||
return
|
||||
endif
|
||||
sourceState(p)%p(mySource)%state(myOffset + 1: myOffset + mySize,c) = &
|
||||
sourceState(p)%p(mySource)%state(myOffset + 1: myOffset + mySize,c) + sourceState(p)%p(mySource)%deltaState(1:mySize,c)
|
||||
enddo
|
||||
|
||||
stateJump = .true.
|
||||
|
||||
end function stateJump
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Write current restart information (Field and constitutive data) to file.
|
||||
! ToDo: Merge data into one file for MPI, move state to constitutive and homogenization, respectively
|
||||
|
|
|
@ -11,7 +11,6 @@ module material
|
|||
use results
|
||||
use IO
|
||||
use debug
|
||||
use numerics
|
||||
use rotations
|
||||
use discretization
|
||||
|
||||
|
@ -174,8 +173,7 @@ module material
|
|||
|
||||
public :: &
|
||||
material_init, &
|
||||
material_allocatePlasticState, &
|
||||
material_allocateSourceState, &
|
||||
material_allocateState, &
|
||||
ELASTICITY_HOOKE_ID ,&
|
||||
PLASTICITY_NONE_ID, &
|
||||
PLASTICITY_ISOTROPIC_ID, &
|
||||
|
@ -700,63 +698,35 @@ end subroutine material_parseTexture
|
|||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief allocates the plastic state of a phase
|
||||
!> @brief Allocate the components of the state structure for a given phase
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine material_allocatePlasticState(phase,NipcMyPhase,&
|
||||
sizeState,sizeDotState,sizeDeltaState)
|
||||
subroutine material_allocateState(state, &
|
||||
NipcMyPhase,sizeState,sizeDotState,sizeDeltaState)
|
||||
|
||||
class(tState), intent(out) :: &
|
||||
state
|
||||
integer, intent(in) :: &
|
||||
phase, &
|
||||
NipcMyPhase, &
|
||||
sizeState, &
|
||||
sizeDotState, &
|
||||
sizeDeltaState
|
||||
|
||||
plasticState(phase)%sizeState = sizeState
|
||||
plasticState(phase)%sizeDotState = sizeDotState
|
||||
plasticState(phase)%sizeDeltaState = sizeDeltaState
|
||||
plasticState(phase)%offsetDeltaState = sizeState-sizeDeltaState ! deltaState occupies latter part of state by definition
|
||||
state%sizeState = sizeState
|
||||
state%sizeDotState = sizeDotState
|
||||
state%sizeDeltaState = sizeDeltaState
|
||||
state%offsetDeltaState = sizeState-sizeDeltaState ! deltaState occupies latter part of state by definition
|
||||
|
||||
allocate(plasticState(phase)%atol (sizeState), source=0.0_pReal)
|
||||
allocate(plasticState(phase)%state0 (sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(plasticState(phase)%partionedState0 (sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(plasticState(phase)%subState0 (sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(plasticState(phase)%state (sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(state%atol (sizeState), source=0.0_pReal)
|
||||
allocate(state%state0 (sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(state%partionedState0(sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(state%subState0 (sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(state%state (sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
|
||||
allocate(plasticState(phase)%dotState (sizeDotState,NipcMyPhase),source=0.0_pReal)
|
||||
allocate(state%dotState (sizeDotState,NipcMyPhase), source=0.0_pReal)
|
||||
|
||||
allocate(plasticState(phase)%deltaState (sizeDeltaState,NipcMyPhase),source=0.0_pReal)
|
||||
allocate(state%deltaState(sizeDeltaState,NipcMyPhase), source=0.0_pReal)
|
||||
|
||||
end subroutine material_allocatePlasticState
|
||||
end subroutine material_allocateState
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief allocates the source state of a phase
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine material_allocateSourceState(phase,of,NipcMyPhase,&
|
||||
sizeState,sizeDotState,sizeDeltaState)
|
||||
|
||||
integer, intent(in) :: &
|
||||
phase, &
|
||||
of, &
|
||||
NipcMyPhase, &
|
||||
sizeState, sizeDotState,sizeDeltaState
|
||||
|
||||
sourceState(phase)%p(of)%sizeState = sizeState
|
||||
sourceState(phase)%p(of)%sizeDotState = sizeDotState
|
||||
sourceState(phase)%p(of)%sizeDeltaState = sizeDeltaState
|
||||
sourceState(phase)%p(of)%offsetDeltaState = sizeState-sizeDeltaState ! deltaState occupies latter part of state by definition
|
||||
|
||||
allocate(sourceState(phase)%p(of)%atol (sizeState), source=0.0_pReal)
|
||||
allocate(sourceState(phase)%p(of)%state0 (sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(sourceState(phase)%p(of)%partionedState0 (sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(sourceState(phase)%p(of)%subState0 (sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(sourceState(phase)%p(of)%state (sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
|
||||
allocate(sourceState(phase)%p(of)%dotState (sizeDotState,NipcMyPhase),source=0.0_pReal)
|
||||
|
||||
allocate(sourceState(phase)%p(of)%deltaState (sizeDeltaState,NipcMyPhase),source=0.0_pReal)
|
||||
|
||||
end subroutine material_allocateSourceState
|
||||
|
||||
end module material
|
||||
|
|
|
@ -20,8 +20,7 @@ module numerics
|
|||
iJacoStiffness = 1, & !< frequency of stiffness update
|
||||
randomSeed = 0, & !< fixed seeding for pseudo-random number generator, Default 0: use random seed
|
||||
worldrank = 0, & !< MPI worldrank (/=0 for MPI simulations only)
|
||||
worldsize = 1, & !< MPI worldsize (/=1 for MPI simulations only)
|
||||
numerics_integrator = 1 !< method used for state integration Default 1: fix-point iteration
|
||||
worldsize = 1 !< MPI worldsize (/=1 for MPI simulations only)
|
||||
integer(4), protected, public :: &
|
||||
DAMASK_NumThreadsInt = 0 !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
|
||||
real(pReal), protected, public :: &
|
||||
|
@ -134,8 +133,6 @@ subroutine numerics_init
|
|||
defgradTolerance = IO_floatValue(line,chunkPos,2)
|
||||
case ('ijacostiffness')
|
||||
iJacoStiffness = IO_intValue(line,chunkPos,2)
|
||||
case ('integrator')
|
||||
numerics_integrator = IO_intValue(line,chunkPos,2)
|
||||
case ('usepingpong')
|
||||
usepingpong = IO_intValue(line,chunkPos,2) > 0
|
||||
case ('unitlength')
|
||||
|
@ -176,6 +173,11 @@ subroutine numerics_init
|
|||
case ('maxstaggerediter')
|
||||
stagItMax = IO_intValue(line,chunkPos,2)
|
||||
|
||||
#ifdef PETSC
|
||||
case ('petsc_options')
|
||||
petsc_options = trim(line(chunkPos(4):))
|
||||
#endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! spectral parameters
|
||||
#ifdef Grid
|
||||
|
@ -187,8 +189,6 @@ subroutine numerics_init
|
|||
err_stress_tolrel = IO_floatValue(line,chunkPos,2)
|
||||
case ('err_stress_tolabs')
|
||||
err_stress_tolabs = IO_floatValue(line,chunkPos,2)
|
||||
case ('petsc_options')
|
||||
petsc_options = trim(line(chunkPos(4):))
|
||||
case ('err_curl_tolabs')
|
||||
err_curl_tolAbs = IO_floatValue(line,chunkPos,2)
|
||||
case ('err_curl_tolrel')
|
||||
|
@ -206,8 +206,6 @@ subroutine numerics_init
|
|||
integrationorder = IO_intValue(line,chunkPos,2)
|
||||
case ('structorder')
|
||||
structorder = IO_intValue(line,chunkPos,2)
|
||||
case ('petsc_options')
|
||||
petsc_options = trim(line(chunkPos(4):))
|
||||
case ('bbarstabilisation')
|
||||
BBarStabilisation = IO_intValue(line,chunkPos,2) > 0
|
||||
#endif
|
||||
|
@ -223,7 +221,6 @@ subroutine numerics_init
|
|||
! writing parameters to output
|
||||
write(6,'(a24,1x,es8.1)') ' defgradTolerance: ',defgradTolerance
|
||||
write(6,'(a24,1x,i8)') ' iJacoStiffness: ',iJacoStiffness
|
||||
write(6,'(a24,1x,i8)') ' integrator: ',numerics_integrator
|
||||
write(6,'(a24,1x,L8)') ' use ping pong scheme: ',usepingpong
|
||||
write(6,'(a24,1x,es8.1,/)')' unitlength: ',numerics_unitlength
|
||||
|
||||
|
@ -266,7 +263,6 @@ subroutine numerics_init
|
|||
write(6,'(a24,1x,es8.1)') ' err_curl_tolRel: ',err_curl_tolRel
|
||||
write(6,'(a24,1x,es8.1)') ' polarAlpha: ',polarAlpha
|
||||
write(6,'(a24,1x,es8.1)') ' polarBeta: ',polarBeta
|
||||
write(6,'(a24,1x,a)') ' PETSc_options: ',trim(petsc_options)
|
||||
#endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
@ -274,16 +270,17 @@ subroutine numerics_init
|
|||
#ifdef FEM
|
||||
write(6,'(a24,1x,i8)') ' integrationOrder: ',integrationOrder
|
||||
write(6,'(a24,1x,i8)') ' structOrder: ',structOrder
|
||||
write(6,'(a24,1x,a)') ' PETSc_options: ',trim(petsc_options)
|
||||
write(6,'(a24,1x,L8)') ' B-Bar stabilisation: ',BBarStabilisation
|
||||
#endif
|
||||
|
||||
#ifdef PETSC
|
||||
write(6,'(a24,1x,a)') ' PETSc_options: ',trim(petsc_options)
|
||||
#endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! sanity checks
|
||||
if (defgradTolerance <= 0.0_pReal) call IO_error(301,ext_msg='defgradTolerance')
|
||||
if (iJacoStiffness < 1) call IO_error(301,ext_msg='iJacoStiffness')
|
||||
if (numerics_integrator <= 0 .or. numerics_integrator >= 6) &
|
||||
call IO_error(301,ext_msg='integrator')
|
||||
if (numerics_unitlength <= 0.0_pReal) call IO_error(301,ext_msg='unitlength')
|
||||
if (residualStiffness < 0.0_pReal) call IO_error(301,ext_msg='residualStiffness')
|
||||
if (itmax <= 1) call IO_error(301,ext_msg='itmax')
|
||||
|
|
|
@ -53,8 +53,7 @@ module prec
|
|||
logical :: &
|
||||
nonlocal = .false.
|
||||
real(pReal), pointer, dimension(:,:) :: &
|
||||
slipRate, & !< slip rate
|
||||
accumulatedSlip !< accumulated plastic slip
|
||||
slipRate !< slip rate
|
||||
end type
|
||||
|
||||
type :: tSourceState
|
||||
|
|
|
@ -107,7 +107,7 @@ subroutine source_damage_anisoBrittle_init
|
|||
if (any(prm%critDisp < 0.0_pReal)) extmsg = trim(extmsg)//' anisobrittle_critDisp'
|
||||
|
||||
NipcMyPhase = count(material_phaseAt==p) * discretization_nIP
|
||||
call material_allocateSourceState(p,sourceOffset,NipcMyPhase,1,1,0)
|
||||
call material_allocateState(sourceState(p)%p(sourceOffset),NipcMyPhase,1,1,0)
|
||||
sourceState(p)%p(sourceOffset)%atol = config%getFloat('anisobrittle_atol',defaultVal=1.0e-3_pReal)
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if(any(sourceState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' anisobrittle_atol'
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@ -89,7 +89,7 @@ subroutine source_damage_anisoDuctile_init
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if (any(prm%critPlasticStrain < 0.0_pReal)) extmsg = trim(extmsg)//' anisoductile_criticalplasticstrain'
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NipcMyPhase=count(material_phaseAt==p) * discretization_nIP
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call material_allocateSourceState(p,sourceOffset,NipcMyPhase,1,1,0)
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call material_allocateState(sourceState(p)%p(sourceOffset),NipcMyPhase,1,1,0)
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||||
sourceState(p)%p(sourceOffset)%atol = config%getFloat('anisoductile_atol',defaultVal=1.0e-3_pReal)
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||||
if(any(sourceState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' anisoductile_atol'
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||||
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||||
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@ -83,7 +83,7 @@ subroutine source_damage_isoBrittle_init
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if (prm%critStrainEnergy <= 0.0_pReal) extmsg = trim(extmsg)//' isobrittle_criticalstrainenergy'
|
||||
|
||||
NipcMyPhase = count(material_phaseAt==p) * discretization_nIP
|
||||
call material_allocateSourceState(p,sourceOffset,NipcMyPhase,1,1,1)
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||||
call material_allocateState(sourceState(p)%p(sourceOffset),NipcMyPhase,1,1,1)
|
||||
sourceState(p)%p(sourceOffset)%atol = config%getFloat('isobrittle_atol',defaultVal=1.0e-3_pReal)
|
||||
if(any(sourceState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isobrittle_atol'
|
||||
|
||||
|
|
|
@ -82,7 +82,7 @@ subroutine source_damage_isoDuctile_init
|
|||
if (prm%critPlasticStrain <= 0.0_pReal) extmsg = trim(extmsg)//' isoductile_criticalplasticstrain'
|
||||
|
||||
NipcMyPhase=count(material_phaseAt==p) * discretization_nIP
|
||||
call material_allocateSourceState(p,sourceOffset,NipcMyPhase,1,1,0)
|
||||
call material_allocateState(sourceState(p)%p(sourceOffset),NipcMyPhase,1,1,0)
|
||||
sourceState(p)%p(sourceOffset)%atol = config%getFloat('isoductile_atol',defaultVal=1.0e-3_pReal)
|
||||
if(any(sourceState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isoductile_atol'
|
||||
|
||||
|
|
|
@ -67,7 +67,7 @@ subroutine source_thermal_dissipation_init
|
|||
prm%kappa = config%getFloat('dissipation_coldworkcoeff')
|
||||
|
||||
NipcMyPhase = count(material_phaseAt==p) * discretization_nIP
|
||||
call material_allocateSourceState(p,sourceOffset,NipcMyPhase,0,0,0)
|
||||
call material_allocateState(sourceState(p)%p(sourceOffset),NipcMyPhase,0,0,0)
|
||||
|
||||
end associate
|
||||
enddo
|
||||
|
|
|
@ -74,7 +74,7 @@ subroutine source_thermal_externalheat_init
|
|||
prm%heat_rate = config%getFloats('externalheat_rate',requiredSize = size(prm%time))
|
||||
|
||||
NipcMyPhase = count(material_phaseAt==p) * discretization_nIP
|
||||
call material_allocateSourceState(p,sourceOffset,NipcMyPhase,1,1,0)
|
||||
call material_allocateState(sourceState(p)%p(sourceOffset),NipcMyPhase,1,1,0)
|
||||
|
||||
end associate
|
||||
enddo
|
||||
|
|
Loading…
Reference in New Issue