preparing for separation of stress calculation and tangent calculatin
This commit is contained in:
Martin Diehl
parent
ad5424f149
commit
e433aea193
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@ -1,4 +1,6 @@
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!--------------------------------------------------------------------------------------------------
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
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@ -7,6 +9,13 @@
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!--------------------------------------------------------------------------------------------------
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module crystallite
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use FEsolving, only: &
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FEsolving_execElem, &
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FEsolving_execIP
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use mesh, only: &
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mesh_element
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use material, only: &
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homogenization_Ngrains
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use prec, only: &
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pReal, &
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pInt
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@ -30,9 +39,9 @@ module crystallite
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crystallite_subFrac, & !< already calculated fraction of increment
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crystallite_subStep !< size of next integration step
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real(pReal), dimension(:,:,:,:), allocatable, public :: &
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crystallite_Tstar_v, & !< current 2nd Piola-Kirchhoff stress vector (end of converged time step)
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crystallite_Tstar0_v, & !< 2nd Piola-Kirchhoff stress vector at start of FE inc
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crystallite_partionedTstar0_v !< 2nd Piola-Kirchhoff stress vector at start of homog inc
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crystallite_Tstar_v, & !< current 2nd Piola-Kirchhoff stress vector (end of converged time step) ToDo: Should be called S, 3x3
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crystallite_Tstar0_v, & !< 2nd Piola-Kirchhoff stress vector at start of FE inc ToDo: Should be called S, 3x3
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crystallite_partionedTstar0_v !< 2nd Piola-Kirchhoff stress vector at start of homog inc ToDo: Should be called S, 3x3
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real(pReal), dimension(:,:,:,:), allocatable, private :: &
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crystallite_subTstar0_v, & !< 2nd Piola-Kirchhoff stress vector at start of crystallite inc
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crystallite_orientation, & !< orientation as quaternion
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@ -146,9 +155,6 @@ subroutine crystallite_init
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math_inv33, &
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math_mul33xx33, &
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math_mul33x33
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use FEsolving, only: &
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FEsolving_execElem, &
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FEsolving_execIP
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use mesh, only: &
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mesh_element, &
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mesh_NcpElems, &
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@ -171,6 +177,7 @@ subroutine crystallite_init
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implicit none
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integer(pInt), parameter :: FILEUNIT=434_pInt
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logical, dimension(:,:), allocatable :: devNull
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integer(pInt) :: &
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c, & !< counter in integration point component loop
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i, & !< counter in integration point loop
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@ -180,7 +187,6 @@ subroutine crystallite_init
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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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nMax, & !< maximum number of ip neighbors
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myNcomponents, & !< number of components at current IP
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mySize
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@ -193,13 +199,15 @@ subroutine crystallite_init
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cMax = homogenization_maxNgrains
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iMax = mesh_maxNips
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eMax = mesh_NcpElems
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nMax = mesh_maxNipNeighbors
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! ---------------------------------------------------------------------------
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! ToDo (when working on homogenization): should be 3x3 tensor called S
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allocate(crystallite_Tstar0_v(6,cMax,iMax,eMax), source=0.0_pReal)
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allocate(crystallite_partionedTstar0_v(6,cMax,iMax,eMax), source=0.0_pReal)
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allocate(crystallite_subTstar0_v(6,cMax,iMax,eMax), source=0.0_pReal)
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allocate(crystallite_Tstar_v(6,cMax,iMax,eMax), source=0.0_pReal)
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! ---------------------------------------------------------------------------
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allocate(crystallite_P(3,3,cMax,iMax,eMax), source=0.0_pReal)
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allocate(crystallite_F0(3,3,cMax,iMax,eMax), source=0.0_pReal)
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allocate(crystallite_partionedF0(3,3,cMax,iMax,eMax), source=0.0_pReal)
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@ -270,43 +278,43 @@ subroutine crystallite_init
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do o = 1_pInt, size(str)
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crystallite_output(o,c) = str(o)
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outputName: select case(str(o))
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case ('phase') outputName
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crystallite_outputID(o,c) = phase_ID
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case ('texture') outputName
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crystallite_outputID(o,c) = texture_ID
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case ('volume') outputName
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crystallite_outputID(o,c) = volume_ID
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case ('orientation') outputName
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crystallite_outputID(o,c) = orientation_ID
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case ('grainrotation') outputName
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crystallite_outputID(o,c) = grainrotation_ID
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case ('eulerangles') outputName
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crystallite_outputID(o,c) = eulerangles_ID
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case ('defgrad','f') outputName
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crystallite_outputID(o,c) = defgrad_ID
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case ('fe') outputName
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crystallite_outputID(o,c) = fe_ID
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case ('fp') outputName
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crystallite_outputID(o,c) = fp_ID
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case ('fi') outputName
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crystallite_outputID(o,c) = fi_ID
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case ('lp') outputName
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crystallite_outputID(o,c) = lp_ID
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case ('li') outputName
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crystallite_outputID(o,c) = li_ID
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case ('p','firstpiola','1stpiola') outputName
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crystallite_outputID(o,c) = p_ID
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case ('s','tstar','secondpiola','2ndpiola') outputName
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crystallite_outputID(o,c) = s_ID
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case ('elasmatrix') outputName
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crystallite_outputID(o,c) = elasmatrix_ID
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case ('neighboringip') outputName
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crystallite_outputID(o,c) = neighboringip_ID
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case ('neighboringelement') outputName
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crystallite_outputID(o,c) = neighboringelement_ID
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case default outputName
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call IO_error(105_pInt,ext_msg=trim(str(o))//' (Crystallite)')
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end select outputName
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case ('phase') outputName
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crystallite_outputID(o,c) = phase_ID
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case ('texture') outputName
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crystallite_outputID(o,c) = texture_ID
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case ('volume') outputName
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crystallite_outputID(o,c) = volume_ID
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case ('orientation') outputName
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crystallite_outputID(o,c) = orientation_ID
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case ('grainrotation') outputName
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crystallite_outputID(o,c) = grainrotation_ID
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case ('eulerangles') outputName
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crystallite_outputID(o,c) = eulerangles_ID
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case ('defgrad','f') outputName
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crystallite_outputID(o,c) = defgrad_ID
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case ('fe') outputName
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crystallite_outputID(o,c) = fe_ID
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case ('fp') outputName
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crystallite_outputID(o,c) = fp_ID
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case ('fi') outputName
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crystallite_outputID(o,c) = fi_ID
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case ('lp') outputName
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crystallite_outputID(o,c) = lp_ID
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case ('li') outputName
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crystallite_outputID(o,c) = li_ID
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case ('p','firstpiola','1stpiola') outputName
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crystallite_outputID(o,c) = p_ID
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case ('s','tstar','secondpiola','2ndpiola') outputName
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crystallite_outputID(o,c) = s_ID
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case ('elasmatrix') outputName
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crystallite_outputID(o,c) = elasmatrix_ID
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case ('neighboringip') outputName
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crystallite_outputID(o,c) = neighboringip_ID
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case ('neighboringelement') outputName
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crystallite_outputID(o,c) = neighboringelement_ID
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case default outputName
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call IO_error(105_pInt,ext_msg=trim(str(o))//' (Crystallite)')
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end select outputName
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enddo
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enddo
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@ -359,24 +367,24 @@ subroutine crystallite_init
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!--------------------------------------------------------------------------------------------------
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! initialize
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!$OMP PARALLEL DO PRIVATE(myNcomponents)
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNcomponents = homogenization_Ngrains(mesh_element(3,e))
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forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), c = 1_pInt:myNcomponents)
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crystallite_Fp0(1:3,1:3,c,i,e) = math_EulerToR(material_EulerAngles(1:3,c,i,e)) ! plastic def gradient reflects init orientation
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crystallite_Fi0(1:3,1:3,c,i,e) = constitutive_initialFi(c,i,e)
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crystallite_F0(1:3,1:3,c,i,e) = math_I3
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crystallite_localPlasticity(c,i,e) = phase_localPlasticity(material_phase(c,i,e))
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crystallite_Fe(1:3,1:3,c,i,e) = math_inv33(math_mul33x33(crystallite_Fi0(1:3,1:3,c,i,e), &
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crystallite_Fp0(1:3,1:3,c,i,e))) ! assuming that euler angles are given in internal strain free configuration
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crystallite_Fp(1:3,1:3,c,i,e) = crystallite_Fp0(1:3,1:3,c,i,e)
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crystallite_Fi(1:3,1:3,c,i,e) = crystallite_Fi0(1:3,1:3,c,i,e)
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crystallite_requested(c,i,e) = .true.
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endforall
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enddo
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!$OMP PARALLEL DO PRIVATE(myNcomponents,i,c)
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNcomponents = homogenization_Ngrains(mesh_element(3,e))
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forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), c = 1_pInt:myNcomponents)
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crystallite_Fp0(1:3,1:3,c,i,e) = math_EulerToR(material_EulerAngles(1:3,c,i,e)) ! plastic def gradient reflects init orientation
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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_phase(c,i,e))
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crystallite_Fe(1:3,1:3,c,i,e) = math_inv33(math_mul33x33(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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crystallite_Fi(1:3,1:3,c,i,e) = crystallite_Fi0(1:3,1:3,c,i,e)
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crystallite_requested(c,i,e) = .true.
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endforall
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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_pInt) ! exit if nonlocal but no ping-pong
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if(any(.not. crystallite_localPlasticity) .and. .not. usePingPong) call IO_error(601_pInt) ! 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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@ -406,7 +414,7 @@ subroutine crystallite_init
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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)') 'max # of constituents/integration point: ', cMax
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write(6,'(a42,1x,i10)') 'max # of neigbours/integration point: ', nMax
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write(6,'(a42,1x,i10)') 'max # of neigbours/integration point: ', mesh_maxNipNeighbors
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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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@ -858,6 +866,175 @@ subroutine crystallite_stressAndItsTangent(updateJaco)
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end subroutine crystallite_stressAndItsTangent
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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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use prec, only: &
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tol_math_check, &
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dNeq0
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use IO, only: &
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IO_warning, &
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IO_error
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use math, only: &
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math_inv33, &
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math_identity2nd, &
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math_mul33x33, &
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math_Mandel6to33, &
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math_Mandel33to6, &
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math_Plain3333to99, &
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math_Plain99to3333, &
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math_I3, &
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math_mul3333xx3333, &
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math_mul33xx33, &
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math_invert, &
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math_det33
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use mesh, only: &
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mesh_element, &
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FE_geomtype
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use material, only: &
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homogenization_Ngrains
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use constitutive, only: &
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constitutive_SandItsTangents, &
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constitutive_LpAndItsTangents, &
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constitutive_LiAndItsTangents
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implicit none
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integer(pInt) :: &
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c, & !< counter in integration point component 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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p
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real(pReal), dimension(3,3) :: temp_33_1, devNull,invSubFi0, temp_33_2, temp_33_3, temp_33_4
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real(pReal), dimension(3,3,3,3) :: dSdFe, &
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dSdF, &
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dSdFi, &
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dLidS, &
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dLidFi, &
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dLpdS, &
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dLpdFi, &
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dFidS, &
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dFpinvdF, &
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rhs_3333, &
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lhs_3333, &
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temp_3333
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real(pReal), dimension(9,9):: temp_99
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logical :: error
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!$OMP PARALLEL DO PRIVATE(dSdF,dSdFe,dSdFi,dLpdS,dLpdFi,dFpinvdF,dLidS,dLidFi,dFidS,invSubFi0,o,p, &
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!$OMP rhs_3333,lhs_3333,temp_99,temp_33_1,temp_33_2,temp_33_3,temp_33_4,temp_3333,error)
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elementLooping: do e = FEsolving_execElem(1),FEsolving_execElem(2)
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
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do c = 1_pInt,homogenization_Ngrains(mesh_element(3,e))
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call constitutive_SandItsTangents(devNull,dSdFe,dSdFi, &
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crystallite_Fe(1:3,1:3,c,i,e), &
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crystallite_Fi(1:3,1:3,c,i,e),c,i,e) ! call constitutive law to calculate elastic stress tangent
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call constitutive_LiAndItsTangents(devNull,dLidS,dLidFi, &
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crystallite_Tstar_v(1:6,c,i,e), &
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crystallite_Fi(1:3,1:3,c,i,e), &
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c,i,e) ! call constitutive law to calculate Li tangent in lattice configuration
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if (sum(abs(dLidS)) < tol_math_check) then
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dFidS = 0.0_pReal
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else
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invSubFi0 = math_inv33(crystallite_subFi0(1:3,1:3,c,i,e))
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lhs_3333 = 0.0_pReal; rhs_3333 = 0.0_pReal
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do o=1_pInt,3_pInt; do p=1_pInt,3_pInt
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lhs_3333(1:3,1:3,o,p) = lhs_3333(1:3,1:3,o,p) &
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+ crystallite_subdt(c,i,e)*math_mul33x33(invSubFi0,dLidFi(1:3,1:3,o,p))
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lhs_3333(1:3,o,1:3,p) = lhs_3333(1:3,o,1:3,p) &
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+ crystallite_invFi(1:3,1:3,c,i,e)*crystallite_invFi(p,o,c,i,e)
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rhs_3333(1:3,1:3,o,p) = rhs_3333(1:3,1:3,o,p) &
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- crystallite_subdt(c,i,e)*math_mul33x33(invSubFi0,dLidS(1:3,1:3,o,p))
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enddo;enddo
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call math_invert(9_pInt,math_Plain3333to99(lhs_3333),temp_99,error)
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if (error) then
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call IO_warning(warning_ID=600_pInt,el=e,ip=i,g=c, &
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ext_msg='inversion error in analytic tangent calculation')
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dFidS = 0.0_pReal
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else
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dFidS = math_mul3333xx3333(math_Plain99to3333(temp_99),rhs_3333)
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endif
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dLidS = math_mul3333xx3333(dLidFi,dFidS) + dLidS
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endif
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call constitutive_LpAndItsTangents(devNull,dLpdS,dLpdFi, &
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crystallite_Tstar_v(1:6,c,i,e), &
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crystallite_Fi(1:3,1:3,c,i,e),c,i,e) ! call constitutive law to calculate Lp tangent in lattice configuration
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dLpdS = math_mul3333xx3333(dLpdFi,dFidS) + dLpdS
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!--------------------------------------------------------------------------------------------------
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! calculate dSdF
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temp_33_1 = transpose(math_mul33x33(crystallite_invFp(1:3,1:3,c,i,e), &
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crystallite_invFi(1:3,1:3,c,i,e)))
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temp_33_2 = math_mul33x33( crystallite_subF (1:3,1:3,c,i,e), &
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math_inv33(crystallite_subFp0(1:3,1:3,c,i,e)))
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temp_33_3 = math_mul33x33(math_mul33x33(crystallite_subF (1:3,1:3,c,i,e), &
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crystallite_invFp (1:3,1:3,c,i,e)), &
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math_inv33(crystallite_subFi0(1:3,1:3,c,i,e)))
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do concurrent(p=1_pInt:3_pInt, o=1_pInt:3_pInt)
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rhs_3333(p,o,1:3,1:3) = math_mul33x33(dSdFe(p,o,1:3,1:3),temp_33_1)
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temp_3333(1:3,1:3,p,o) = math_mul33x33(math_mul33x33(temp_33_2,dLpdS(1:3,1:3,p,o)), &
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crystallite_invFi(1:3,1:3,c,i,e)) &
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+ math_mul33x33(temp_33_3,dLidS(1:3,1:3,p,o))
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enddo
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lhs_3333 = crystallite_subdt(c,i,e)*math_mul3333xx3333(dSdFe,temp_3333) + &
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math_mul3333xx3333(dSdFi,dFidS)
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call math_invert(9_pInt,math_identity2nd(9_pInt)+math_Plain3333to99(lhs_3333),temp_99,error)
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if (error) then
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call IO_warning(warning_ID=600_pInt,el=e,ip=i,g=c, &
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ext_msg='inversion error in analytic tangent calculation')
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dSdF = rhs_3333
|
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else
|
||||
dSdF = math_mul3333xx3333(math_Plain99to3333(temp_99),rhs_3333)
|
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endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate dFpinvdF
|
||||
temp_3333 = math_mul3333xx3333(dLpdS,dSdF)
|
||||
do concurrent(p=1_pInt:3_pInt, o=1_pInt:3_pInt)
|
||||
dFpinvdF(1:3,1:3,p,o) &
|
||||
= -crystallite_subdt(c,i,e) &
|
||||
* math_mul33x33(math_inv33(crystallite_subFp0(1:3,1:3,c,i,e)), &
|
||||
math_mul33x33(temp_3333(1:3,1:3,p,o),crystallite_invFi(1:3,1:3,c,i,e)))
|
||||
enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! assemble dPdF
|
||||
temp_33_1 = math_mul33x33(crystallite_invFp(1:3,1:3,c,i,e), &
|
||||
math_mul33x33(math_Mandel6to33(crystallite_Tstar_v(1:6,c,i,e)), &
|
||||
transpose(crystallite_invFp(1:3,1:3,c,i,e))))
|
||||
temp_33_2 = math_mul33x33(math_Mandel6to33(crystallite_Tstar_v(1:6,c,i,e)), &
|
||||
transpose(crystallite_invFp(1:3,1:3,c,i,e)))
|
||||
temp_33_3 = math_mul33x33(crystallite_subF(1:3,1:3,c,i,e), &
|
||||
crystallite_invFp(1:3,1:3,c,i,e))
|
||||
temp_33_4 = math_mul33x33(math_mul33x33(crystallite_subF(1:3,1:3,c,i,e), &
|
||||
crystallite_invFp(1:3,1:3,c,i,e)), &
|
||||
math_Mandel6to33(crystallite_Tstar_v(1:6,c,i,e)))
|
||||
|
||||
crystallite_dPdF(1:3,1:3,1:3,1:3,c,i,e) = 0.0_pReal
|
||||
do p=1_pInt, 3_pInt
|
||||
crystallite_dPdF(p,1:3,p,1:3,c,i,e) = transpose(temp_33_1)
|
||||
enddo
|
||||
do concurrent(p=1_pInt:3_pInt, o=1_pInt:3_pInt)
|
||||
crystallite_dPdF(1:3,1:3,p,o,c,i,e) = crystallite_dPdF(1:3,1:3,p,o,c,i,e) + &
|
||||
math_mul33x33(math_mul33x33(crystallite_subF(1:3,1:3,c,i,e),dFpinvdF(1:3,1:3,p,o)),temp_33_2) + &
|
||||
math_mul33x33(math_mul33x33(temp_33_3,dSdF(1:3,1:3,p,o)),transpose(crystallite_invFp(1:3,1:3,c,i,e))) + &
|
||||
math_mul33x33(temp_33_4,transpose(dFpinvdF(1:3,1:3,p,o)))
|
||||
enddo
|
||||
|
||||
enddo; enddo
|
||||
enddo elementLooping
|
||||
!$OMP END PARALLEL DO
|
||||
|
||||
end subroutine crystallite_stressTangent
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @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
|
||||
|
|
|
|||
Loading…
Reference in New Issue