Merge branch 'crystallite-private-data' into 'development'
Crystallite private data See merge request damask/DAMASK!241
This commit is contained in:
Franz Roters
commit
63f2419e92
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@ -35,35 +35,42 @@ module crystallite
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crystallite_subStep !< size of next integration step
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type(rotation), dimension(:,:,:), allocatable :: &
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crystallite_orientation !< current orientation
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real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: &
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crystallite_Fe, & !< current "elastic" def grad (end of converged time step)
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crystallite_P, & !< 1st Piola-Kirchhoff stress per grain
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crystallite_S0, & !< 2nd Piola-Kirchhoff stress vector at start of FE inc
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crystallite_Fp0, & !< plastic def grad at start of FE inc
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crystallite_Fi0, & !< intermediate def grad at start of FE inc
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real(pReal), dimension(:,:,:,:,:), allocatable :: &
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crystallite_F0, & !< def grad at start of FE inc
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crystallite_Lp0, & !< plastic velocitiy grad at start of FE inc
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crystallite_Li0 !< intermediate velocitiy grad at start of FE inc
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real(pReal), dimension(:,:,:,:,:), allocatable, public :: &
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crystallite_S, & !< current 2nd Piola-Kirchhoff stress vector (end of converged time step)
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crystallite_partionedS0, & !< 2nd Piola-Kirchhoff stress vector at start of homog inc
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crystallite_Fp, & !< current plastic def grad (end of converged time step)
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crystallite_partionedFp0,& !< plastic def grad at start of homog inc
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crystallite_Fi, & !< current intermediate def grad (end of converged time step)
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crystallite_partionedFi0,& !< intermediate def grad at start of homog inc
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crystallite_partionedF, & !< def grad to be reached at end of homog inc
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crystallite_partionedF0, & !< def grad at start of homog inc
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crystallite_Lp, & !< current plastic velocitiy grad (end of converged time step)
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crystallite_partionedLp0, & !< plastic velocity grad at start of homog inc
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crystallite_Li, & !< current intermediate velocitiy grad (end of converged time step)
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crystallite_partionedLi0 !< intermediate velocity grad at start of homog inc
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real(pReal), dimension(:,:,:,:,:), allocatable :: &
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crystallite_subFp0,& !< plastic def grad at start of crystallite inc
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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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!
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crystallite_Fe, & !< current "elastic" def grad (end of converged time step)
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!
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crystallite_Fp, & !< current plastic def grad (end of converged time step)
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crystallite_Fp0, & !< plastic def grad at start of FE inc
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crystallite_partionedFp0,& !< plastic def grad at start of homog inc
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crystallite_subFp0,& !< plastic def grad at start of crystallite inc
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!
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crystallite_Fi, & !< current intermediate def grad (end of converged time step)
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crystallite_Fi0, & !< intermediate def grad at start of FE inc
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crystallite_partionedFi0,& !< intermediate def grad at start of homog inc
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crystallite_subFi0,& !< intermediate def grad at start of crystallite inc
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!
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crystallite_Lp0, & !< plastic velocitiy grad at start of FE inc
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crystallite_partionedLp0, & !< plastic velocity grad at start of homog inc
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crystallite_subLp0,& !< plastic velocity grad at start of crystallite inc
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crystallite_subLi0 !< intermediate velocity grad at start of crystallite inc
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!
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crystallite_Li, & !< current intermediate velocitiy grad (end of converged time step)
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crystallite_Li0, & !< intermediate velocitiy grad at start of FE inc
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crystallite_partionedLi0, & !< intermediate velocity grad at start of homog inc
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crystallite_subLi0, & !< intermediate velocity grad at start of crystallite inc
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!
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crystallite_S0, & !< 2nd Piola-Kirchhoff stress vector at start of FE inc
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crystallite_partionedS0 !< 2nd Piola-Kirchhoff stress vector at start of homog inc
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real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: &
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crystallite_P, & !< 1st Piola-Kirchhoff stress per grain
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crystallite_Lp, & !< current plastic velocitiy grad (end of converged time step)
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crystallite_S, & !< current 2nd Piola-Kirchhoff stress vector (end of converged time step)
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crystallite_partionedF0 !< def grad at start of homog inc
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real(pReal), dimension(:,:,:,:,:), allocatable, public :: &
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crystallite_partionedF !< def grad to be reached at end of homog inc
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real(pReal), dimension(:,:,:,:,:,:,:), allocatable, public, protected :: &
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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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@ -119,7 +126,10 @@ module crystallite
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crystallite_results, &
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crystallite_restartWrite, &
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crystallite_restartRead, &
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crystallite_forward
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crystallite_forward, &
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crystallite_initializeRestorationPoints, &
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crystallite_windForward, &
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crystallite_restore
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contains
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@ -136,8 +146,8 @@ subroutine crystallite_init
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e, & !< counter in element loop
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cMax, & !< maximum number of integration point components
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iMax, & !< maximum number of integration points
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eMax, & !< maximum number of elements
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myNcomponents !< number of components at current IP
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eMax !< maximum number of elements
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class(tNode), pointer :: &
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num_crystallite, &
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@ -237,7 +247,7 @@ subroutine crystallite_init
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allocate(output_constituent(phases%length))
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do c = 1, phases%length
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phase => phases%get(c)
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generic_param => phase%get('generic',defaultVal = emptyDict)
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generic_param => phase%get('generic',defaultVal = emptyDict)
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#if defined(__GFORTRAN__)
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output_constituent(c)%label = output_asStrings(generic_param)
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#else
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@ -248,10 +258,9 @@ subroutine crystallite_init
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!--------------------------------------------------------------------------------------------------
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! initialize
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!$OMP PARALLEL DO PRIVATE(myNcomponents,i,c)
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!$OMP PARALLEL DO PRIVATE(i,c)
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNcomponents = homogenization_Ngrains(material_homogenizationAt(e))
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do i = FEsolving_execIP(1), FEsolving_execIP(2); do c = 1, myNcomponents
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do i = FEsolving_execIP(1), FEsolving_execIP(2); do c = 1, homogenization_Ngrains(material_homogenizationAt(e))
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crystallite_Fp0(1:3,1:3,c,i,e) = material_orientation0(c,i,e)%asMatrix() ! Fp reflects initial orientation (see 10.1016/j.actamat.2006.01.005)
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crystallite_Fp0(1:3,1:3,c,i,e) = crystallite_Fp0(1:3,1:3,c,i,e) &
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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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@ -296,7 +305,6 @@ subroutine crystallite_init
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print'(a42,1x,i10)', 'max # of constituents/integration point: ', cMax
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flush(IO_STDOUT)
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endif
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#endif
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end subroutine crystallite_init
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@ -411,7 +419,6 @@ function crystallite_stress()
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crystallite_subLi0(1:3,1:3,c,i,e) = crystallite_Li (1:3,1:3,c,i,e)
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crystallite_subFp0(1:3,1:3,c,i,e) = crystallite_Fp (1:3,1:3,c,i,e)
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crystallite_subFi0(1:3,1:3,c,i,e) = crystallite_Fi (1:3,1:3,c,i,e)
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!if abbrevation, make c and p private in omp
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plasticState( material_phaseAt(c,e))%subState0(:,material_phaseMemberAt(c,i,e)) &
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= plasticState(material_phaseAt(c,e))%state( :,material_phaseMemberAt(c,i,e))
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do s = 1, phase_Nsources(material_phaseAt(c,e))
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@ -462,7 +469,7 @@ function crystallite_stress()
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!--------------------------------------------------------------------------------------------------
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! integrate --- requires fully defined state array (basic + dependent state)
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if (any(todo)) call integrateState(todo) ! TODO: unroll into proper elementloop to avoid N^2 for single point evaluation
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if (any(todo)) call integrateState(todo) ! TODO: unroll into proper elementloop to avoid N^2 for single point evaluation
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where(.not. crystallite_converged .and. crystallite_subStep > num%subStepMinCryst) & ! do not try non-converged but fully cutbacked any further
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todo = .true. ! TODO: again unroll this into proper elementloop to avoid N^2 for single point evaluation
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@ -481,12 +488,108 @@ end function crystallite_stress
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!--------------------------------------------------------------------------------------------------
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!> @brief calculate tangent (dPdF)
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!> @brief Backup data for homog cutback.
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_initializeRestorationPoints(i,e)
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integer, intent(in) :: &
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i, & !< integration point number
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e !< element number
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integer :: &
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c, & !< constituent number
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s
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do c = 1,homogenization_Ngrains(material_homogenizationAt(e))
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crystallite_partionedFp0(1:3,1:3,c,i,e) = crystallite_Fp0(1:3,1:3,c,i,e)
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crystallite_partionedLp0(1:3,1:3,c,i,e) = crystallite_Lp0(1:3,1:3,c,i,e)
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crystallite_partionedFi0(1:3,1:3,c,i,e) = crystallite_Fi0(1:3,1:3,c,i,e)
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crystallite_partionedLi0(1:3,1:3,c,i,e) = crystallite_Li0(1:3,1:3,c,i,e)
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crystallite_partionedF0(1:3,1:3,c,i,e) = crystallite_F0(1:3,1:3,c,i,e)
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crystallite_partionedS0(1:3,1:3,c,i,e) = crystallite_S0(1:3,1:3,c,i,e)
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plasticState(material_phaseAt(c,e))%partionedState0(:,material_phasememberAt(c,i,e)) = &
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plasticState(material_phaseAt(c,e))%state0( :,material_phasememberAt(c,i,e))
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do s = 1, phase_Nsources(material_phaseAt(c,e))
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sourceState(material_phaseAt(c,e))%p(s)%partionedState0(:,material_phasememberAt(c,i,e)) = &
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sourceState(material_phaseAt(c,e))%p(s)%state0( :,material_phasememberAt(c,i,e))
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enddo
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enddo
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end subroutine crystallite_initializeRestorationPoints
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!--------------------------------------------------------------------------------------------------
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!> @brief Wind homog inc forward.
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_windForward(i,e)
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integer, intent(in) :: &
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i, & !< integration point number
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e !< element number
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integer :: &
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c, & !< constituent number
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s
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do c = 1,homogenization_Ngrains(material_homogenizationAt(e))
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crystallite_partionedF0 (1:3,1:3,c,i,e) = crystallite_partionedF(1:3,1:3,c,i,e)
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crystallite_partionedFp0(1:3,1:3,c,i,e) = crystallite_Fp (1:3,1:3,c,i,e)
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crystallite_partionedLp0(1:3,1:3,c,i,e) = crystallite_Lp (1:3,1:3,c,i,e)
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crystallite_partionedFi0(1:3,1:3,c,i,e) = crystallite_Fi (1:3,1:3,c,i,e)
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crystallite_partionedLi0(1:3,1:3,c,i,e) = crystallite_Li (1:3,1:3,c,i,e)
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crystallite_partionedS0 (1:3,1:3,c,i,e) = crystallite_S (1:3,1:3,c,i,e)
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plasticState (material_phaseAt(c,e))%partionedState0(:,material_phasememberAt(c,i,e)) = &
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plasticState (material_phaseAt(c,e))%state (:,material_phasememberAt(c,i,e))
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do s = 1, phase_Nsources(material_phaseAt(c,e))
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sourceState(material_phaseAt(c,e))%p(s)%partionedState0(:,material_phasememberAt(c,i,e)) = &
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sourceState(material_phaseAt(c,e))%p(s)%state (:,material_phasememberAt(c,i,e))
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enddo
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enddo
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end subroutine crystallite_windForward
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!--------------------------------------------------------------------------------------------------
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!> @brief Restore data after homog cutback.
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_restore(i,e,includeL)
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integer, intent(in) :: &
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i, & !< integration point number
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e !< element number
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logical, intent(in) :: &
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includeL !< protect agains fake cutback
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integer :: &
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c, & !< constituent number
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s
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do c = 1,homogenization_Ngrains(material_homogenizationAt(e))
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if (includeL) then
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crystallite_Lp(1:3,1:3,c,i,e) = crystallite_partionedLp0(1:3,1:3,c,i,e)
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crystallite_Li(1:3,1:3,c,i,e) = crystallite_partionedLi0(1:3,1:3,c,i,e)
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endif ! maybe protecting everything from overwriting makes more sense
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crystallite_Fp(1:3,1:3,c,i,e) = crystallite_partionedFp0(1:3,1:3,c,i,e)
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crystallite_Fi(1:3,1:3,c,i,e) = crystallite_partionedFi0(1:3,1:3,c,i,e)
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crystallite_S (1:3,1:3,c,i,e) = crystallite_partionedS0 (1:3,1:3,c,i,e)
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plasticState (material_phaseAt(c,e))%state( :,material_phasememberAt(c,i,e)) = &
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plasticState (material_phaseAt(c,e))%partionedState0(:,material_phasememberAt(c,i,e))
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do s = 1, phase_Nsources(material_phaseAt(c,e))
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sourceState(material_phaseAt(c,e))%p(s)%state( :,material_phasememberAt(c,i,e)) = &
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sourceState(material_phaseAt(c,e))%p(s)%partionedState0(:,material_phasememberAt(c,i,e))
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enddo
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enddo
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end subroutine crystallite_restore
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!--------------------------------------------------------------------------------------------------
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!> @brief Calculate tangent (dPdF).
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_stressTangent
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integer :: &
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c, & !< counter in integration point component loop
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c, & !< counter in constituent loop
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i, & !< counter in integration point loop
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e, & !< counter in element loop
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o, &
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@ -211,10 +211,8 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
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integer :: &
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NiterationHomog, &
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NiterationMPstate, &
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g, & !< grain number
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i, & !< integration point number
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e, & !< element number
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mySource, &
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myNgrains
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real(pReal), dimension(discretization_nIP,discretization_nElem) :: &
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subFrac, &
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@ -225,40 +223,13 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
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logical, dimension(2,discretization_nIP,discretization_nElem) :: &
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doneAndHappy
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#ifdef DEBUG
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if (debugHomog%basic) then
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print'(/a,i5,1x,i2)', ' << HOMOG >> Material Point start at el ip ', debugHomog%element, debugHomog%ip
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print'(a,/,3(12x,3(f14.9,1x)/))', ' << HOMOG >> F0', &
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transpose(materialpoint_F0(1:3,1:3,debugHomog%ip,debugHomog%element))
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print'(a,/,3(12x,3(f14.9,1x)/))', ' << HOMOG >> F', &
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transpose(materialpoint_F(1:3,1:3,debugHomog%ip,debugHomog%element))
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endif
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#endif
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!--------------------------------------------------------------------------------------------------
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! initialize restoration points
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNgrains = homogenization_Ngrains(material_homogenizationAt(e))
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do i = FEsolving_execIP(1),FEsolving_execIP(2);
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do g = 1,myNgrains
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plasticState (material_phaseAt(g,e))%partionedState0(:,material_phasememberAt(g,i,e)) = &
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plasticState (material_phaseAt(g,e))%state0( :,material_phasememberAt(g,i,e))
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do mySource = 1, phase_Nsources(material_phaseAt(g,e))
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sourceState(material_phaseAt(g,e))%p(mySource)%partionedState0(:,material_phasememberAt(g,i,e)) = &
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sourceState(material_phaseAt(g,e))%p(mySource)%state0( :,material_phasememberAt(g,i,e))
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enddo
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crystallite_partionedFp0(1:3,1:3,g,i,e) = crystallite_Fp0(1:3,1:3,g,i,e)
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crystallite_partionedLp0(1:3,1:3,g,i,e) = crystallite_Lp0(1:3,1:3,g,i,e)
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crystallite_partionedFi0(1:3,1:3,g,i,e) = crystallite_Fi0(1:3,1:3,g,i,e)
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crystallite_partionedLi0(1:3,1:3,g,i,e) = crystallite_Li0(1:3,1:3,g,i,e)
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crystallite_partionedF0(1:3,1:3,g,i,e) = crystallite_F0(1:3,1:3,g,i,e)
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crystallite_partionedS0(1:3,1:3,g,i,e) = crystallite_S0(1:3,1:3,g,i,e)
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enddo
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call crystallite_initializeRestorationPoints(i,e)
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subFrac(i,e) = 0.0_pReal
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converged(i,e) = .false. ! pretend failed step ...
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@ -285,44 +256,19 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
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any(subStep(FEsolving_execIP(1):FEsolving_execIP(2),&
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FEsolving_execElem(1):FEsolving_execElem(2)) > num%subStepMinHomog))
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!$OMP PARALLEL DO PRIVATE(myNgrains)
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!$OMP PARALLEL DO
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elementLooping1: do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNgrains = homogenization_Ngrains(material_homogenizationAt(e))
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IpLooping1: do i = FEsolving_execIP(1),FEsolving_execIP(2)
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if (converged(i,e)) then
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#ifdef DEBUG
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if (debugHomog%extensive .and. ((e == debugHomog%element .and. i == debugHomog%ip) &
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.or. .not. debugHomog%selective)) then
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print'(a,f12.8,a,f12.8,a,i8,1x,i2/)', ' << HOMOG >> winding forward from ', &
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subFrac(i,e), ' to current subFrac ', &
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subFrac(i,e)+subStep(i,e),' in materialpoint_stressAndItsTangent at el ip ',e,i
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endif
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#endif
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!---------------------------------------------------------------------------------------------------
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! calculate new subStep and new subFrac
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subFrac(i,e) = subFrac(i,e) + subStep(i,e)
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subStep(i,e) = min(1.0_pReal-subFrac(i,e),num%stepIncreaseHomog*subStep(i,e)) ! introduce flexibility for step increase/acceleration
|
||||
|
||||
steppingNeeded: if (subStep(i,e) > num%subStepMinHomog) then
|
||||
|
||||
! wind forward grain starting point
|
||||
crystallite_partionedF0 (1:3,1:3,1:myNgrains,i,e) = crystallite_partionedF(1:3,1:3,1:myNgrains,i,e)
|
||||
crystallite_partionedFp0(1:3,1:3,1:myNgrains,i,e) = crystallite_Fp (1:3,1:3,1:myNgrains,i,e)
|
||||
crystallite_partionedLp0(1:3,1:3,1:myNgrains,i,e) = crystallite_Lp (1:3,1:3,1:myNgrains,i,e)
|
||||
crystallite_partionedFi0(1:3,1:3,1:myNgrains,i,e) = crystallite_Fi (1:3,1:3,1:myNgrains,i,e)
|
||||
crystallite_partionedLi0(1:3,1:3,1:myNgrains,i,e) = crystallite_Li (1:3,1:3,1:myNgrains,i,e)
|
||||
crystallite_partionedS0 (1:3,1:3,1:myNgrains,i,e) = crystallite_S (1:3,1:3,1:myNgrains,i,e)
|
||||
|
||||
do g = 1,myNgrains
|
||||
plasticState (material_phaseAt(g,e))%partionedState0(:,material_phasememberAt(g,i,e)) = &
|
||||
plasticState (material_phaseAt(g,e))%state (:,material_phasememberAt(g,i,e))
|
||||
do mySource = 1, phase_Nsources(material_phaseAt(g,e))
|
||||
sourceState(material_phaseAt(g,e))%p(mySource)%partionedState0(:,material_phasememberAt(g,i,e)) = &
|
||||
sourceState(material_phaseAt(g,e))%p(mySource)%state (:,material_phasememberAt(g,i,e))
|
||||
enddo
|
||||
enddo
|
||||
call crystallite_windForward(i,e)
|
||||
|
||||
if(homogState(material_homogenizationAt(e))%sizeState > 0) &
|
||||
homogState(material_homogenizationAt(e))%subState0(:,material_homogenizationMemberAt(i,e)) = &
|
||||
|
|
@ -347,32 +293,8 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
|||
else ! cutback makes sense
|
||||
subStep(i,e) = num%subStepSizeHomog * subStep(i,e) ! crystallite had severe trouble, so do a significant cutback
|
||||
|
||||
#ifdef DEBUG
|
||||
if (debugHomog%extensive .and. ((e == debugHomog%element .and. i == debugHomog%ip) &
|
||||
.or. .not. debugHomog%selective)) then
|
||||
print'(a,f12.8,a,i8,1x,i2/)', &
|
||||
'<< HOMOG >> cutback step in materialpoint_stressAndItsTangent with new subStep: ',&
|
||||
subStep(i,e),' at el ip',e,i
|
||||
endif
|
||||
#endif
|
||||
call crystallite_restore(i,e,subStep(i,e) < 1.0_pReal)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! restore
|
||||
if (subStep(i,e) < 1.0_pReal) then ! protect against fake cutback from \Delta t = 2 to 1. Maybe that "trick" is not necessary anymore at all? I.e. start with \Delta t = 1
|
||||
crystallite_Lp(1:3,1:3,1:myNgrains,i,e) = crystallite_partionedLp0(1:3,1:3,1:myNgrains,i,e)
|
||||
crystallite_Li(1:3,1:3,1:myNgrains,i,e) = crystallite_partionedLi0(1:3,1:3,1:myNgrains,i,e)
|
||||
endif ! maybe protecting everything from overwriting (not only L) makes even more sense
|
||||
crystallite_Fp(1:3,1:3,1:myNgrains,i,e) = crystallite_partionedFp0(1:3,1:3,1:myNgrains,i,e)
|
||||
crystallite_Fi(1:3,1:3,1:myNgrains,i,e) = crystallite_partionedFi0(1:3,1:3,1:myNgrains,i,e)
|
||||
crystallite_S (1:3,1:3,1:myNgrains,i,e) = crystallite_partionedS0 (1:3,1:3,1:myNgrains,i,e)
|
||||
do g = 1, myNgrains
|
||||
plasticState (material_phaseAt(g,e))%state( :,material_phasememberAt(g,i,e)) = &
|
||||
plasticState (material_phaseAt(g,e))%partionedState0(:,material_phasememberAt(g,i,e))
|
||||
do mySource = 1, phase_Nsources(material_phaseAt(g,e))
|
||||
sourceState(material_phaseAt(g,e))%p(mySource)%state( :,material_phasememberAt(g,i,e)) = &
|
||||
sourceState(material_phaseAt(g,e))%p(mySource)%partionedState0(:,material_phasememberAt(g,i,e))
|
||||
enddo
|
||||
enddo
|
||||
if(homogState(material_homogenizationAt(e))%sizeState > 0) &
|
||||
homogState(material_homogenizationAt(e))%State( :,material_homogenizationMemberAt(i,e)) = &
|
||||
homogState(material_homogenizationAt(e))%subState0(:,material_homogenizationMemberAt(i,e))
|
||||
|
|
|
|||
Loading…
Reference in New Issue