2013-03-06 20:11:15 +05:30
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!--------------------------------------------------------------------------------------------------
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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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!> @brief CPFEM engine
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!--------------------------------------------------------------------------------------------------
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2013-03-01 17:18:29 +05:30
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module CPFEM
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2019-09-20 01:37:18 +05:30
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use prec
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use numerics
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use debug
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use FEsolving
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use math
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2019-09-22 19:23:03 +05:30
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use rotations
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2019-09-20 01:37:18 +05:30
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use mesh
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use material
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use config
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use crystallite
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use homogenization
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use IO
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use discretization
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use DAMASK_interface
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use numerics
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use HDF5_utilities
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use results
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use lattice
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use constitutive
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implicit none
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private
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2020-02-29 21:46:40 +05:30
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2019-09-20 01:37:18 +05:30
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real(pReal), dimension (:,:,:), allocatable, private :: &
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CPFEM_cs !< Cauchy stress
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real(pReal), dimension (:,:,:,:), allocatable, private :: &
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CPFEM_dcsdE !< Cauchy stress tangent
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real(pReal), dimension (:,:,:,:), allocatable, private :: &
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CPFEM_dcsdE_knownGood !< known good tangent
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integer(pInt), public :: &
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cycleCounter = 0_pInt, & !< needs description
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theInc = -1_pInt, & !< needs description
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2020-01-26 12:14:22 +05:30
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lastLovl = 0_pInt !< lovl in previous call to marc hypela2
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2019-09-20 01:37:18 +05:30
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real(pReal), public :: &
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theTime = 0.0_pReal, & !< needs description
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2020-02-29 21:46:40 +05:30
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theDelta = 0.0_pReal
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logical, public :: &
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2019-09-20 01:37:18 +05:30
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outdatedFFN1 = .false., & !< needs description
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lastIncConverged = .false., & !< needs description
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outdatedByNewInc = .false. !< needs description
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logical, public, protected :: &
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CPFEM_init_done = .false. !< remember whether init has been done already
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logical, private :: &
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CPFEM_calc_done = .false. !< remember whether first ip has already calced the results
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integer(pInt), parameter, public :: &
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CPFEM_COLLECT = 2_pInt**0_pInt, &
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CPFEM_CALCRESULTS = 2_pInt**1_pInt, &
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CPFEM_AGERESULTS = 2_pInt**2_pInt, &
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CPFEM_BACKUPJACOBIAN = 2_pInt**3_pInt, &
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CPFEM_RESTOREJACOBIAN = 2_pInt**4_pInt
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public :: &
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CPFEM_general, &
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CPFEM_initAll, &
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CPFEM_results
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2013-03-01 17:18:29 +05:30
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contains
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2009-03-04 19:31:36 +05:30
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2010-11-03 20:09:18 +05:30
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2013-03-06 20:11:15 +05:30
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!--------------------------------------------------------------------------------------------------
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!> @brief call (thread safe) all module initializations
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!--------------------------------------------------------------------------------------------------
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2015-07-24 20:27:29 +05:30
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subroutine CPFEM_initAll(el,ip)
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2020-02-26 10:42:45 +05:30
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integer(pInt), intent(in) :: el, & !< FE el number
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ip !< FE integration point number
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2013-03-01 17:18:29 +05:30
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2020-02-26 10:42:45 +05:30
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!$OMP CRITICAL(init)
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if (.not. CPFEM_init_done) then
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call DAMASK_interface_init
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call prec_init
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call IO_init
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call numerics_init
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call debug_init
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call config_init
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call math_init
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call rotations_init
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call HDF5_utilities_init
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call results_init
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call mesh_init(ip, el)
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call lattice_init
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call material_init
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call constitutive_init
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call crystallite_init
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call homogenization_init
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call CPFEM_init
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CPFEM_init_done = .true.
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endif
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!$OMP END CRITICAL(init)
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2010-11-03 20:09:18 +05:30
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2012-03-09 01:55:28 +05:30
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end subroutine CPFEM_initAll
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2010-11-03 20:09:18 +05:30
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2013-03-06 20:11:15 +05:30
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!--------------------------------------------------------------------------------------------------
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!> @brief allocate the arrays defined in module CPFEM and initialize them
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!--------------------------------------------------------------------------------------------------
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2012-03-09 01:55:28 +05:30
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subroutine CPFEM_init
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2013-03-01 17:18:29 +05:30
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2019-09-20 01:37:18 +05:30
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write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'
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flush(6)
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allocate(CPFEM_cs( 6,discretization_nIP,discretization_nElem), source= 0.0_pReal)
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allocate(CPFEM_dcsdE( 6,6,discretization_nIP,discretization_nElem), source= 0.0_pReal)
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allocate(CPFEM_dcsdE_knownGood(6,6,discretization_nIP,discretization_nElem), source= 0.0_pReal)
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if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0) then
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write(6,'(a32,1x,6(i8,1x))') 'CPFEM_cs: ', shape(CPFEM_cs)
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write(6,'(a32,1x,6(i8,1x))') 'CPFEM_dcsdE: ', shape(CPFEM_dcsdE)
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write(6,'(a32,1x,6(i8,1x),/)') 'CPFEM_dcsdE_knownGood: ', shape(CPFEM_dcsdE_knownGood)
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flush(6)
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endif
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2009-06-15 18:41:21 +05:30
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2012-03-09 01:55:28 +05:30
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end subroutine CPFEM_init
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2009-06-15 18:41:21 +05:30
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2013-03-06 20:11:15 +05:30
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!--------------------------------------------------------------------------------------------------
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!> @brief perform initialization at first call, update variables and call the actual material model
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!--------------------------------------------------------------------------------------------------
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2015-05-28 22:32:23 +05:30
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subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyStress, jacobian)
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2013-10-16 18:34:59 +05:30
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2020-03-17 01:28:40 +05:30
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integer(pInt), intent(in) :: elFE, & !< FE element number
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ip !< integration point number
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real(pReal), intent(in) :: dt !< time increment
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real(pReal), dimension (3,3), intent(in) :: ffn, & !< deformation gradient for t=t0
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ffn1 !< deformation gradient for t=t1
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integer(pInt), intent(in) :: mode !< computation mode 1: regular computation plus aging of results
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real(pReal), intent(in) :: temperature_inp !< temperature
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logical, intent(in) :: parallelExecution !< flag indicating parallel computation of requested IPs
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real(pReal), dimension(6), intent(out) :: cauchyStress !< stress as 6 vector
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real(pReal), dimension(6,6), intent(out) :: jacobian !< jacobian as 66 tensor (Consistent tangent dcs/dE)
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real(pReal) J_inverse, & ! inverse of Jacobian
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rnd
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real(pReal), dimension (3,3) :: Kirchhoff, & ! Piola-Kirchhoff stress
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cauchyStress33 ! stress vector
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real(pReal), dimension (3,3,3,3) :: H_sym, &
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H, &
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jacobian3333 ! jacobian in Matrix notation
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integer(pInt) elCP, & ! crystal plasticity element number
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i, j, k, l, m, n, ph, homog, mySource
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logical updateJaco ! flag indicating if Jacobian has to be updated
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real(pReal), parameter :: ODD_STRESS = 1e15_pReal, & !< return value for stress in case of ping pong dummy cycle
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ODD_JACOBIAN = 1e50_pReal !< return value for jacobian in case of ping pong dummy cycle
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elCP = mesh_FEM2DAMASK_elem(elFE)
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if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt &
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.and. elCP == debug_e .and. ip == debug_i) then
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write(6,'(/,a)') '#############################################'
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write(6,'(a1,a22,1x,i8,a13)') '#','element', elCP, '#'
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write(6,'(a1,a22,1x,i8,a13)') '#','ip', ip, '#'
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write(6,'(a1,a22,1x,f15.7,a6)') '#','theTime', theTime, '#'
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write(6,'(a1,a22,1x,f15.7,a6)') '#','theDelta', theDelta, '#'
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write(6,'(a1,a22,1x,i8,a13)') '#','theInc', theInc, '#'
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write(6,'(a1,a22,1x,i8,a13)') '#','cycleCounter', cycleCounter, '#'
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write(6,'(a1,a22,1x,i8,a13)') '#','computationMode',mode, '#'
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if (terminallyIll) &
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write(6,'(a,/)') '# --- terminallyIll --- #'
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write(6,'(a,/)') '#############################################'; flush (6)
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endif
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if (iand(mode, CPFEM_BACKUPJACOBIAN) /= 0_pInt) &
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CPFEM_dcsde_knownGood = CPFEM_dcsde
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if (iand(mode, CPFEM_RESTOREJACOBIAN) /= 0_pInt) &
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CPFEM_dcsde = CPFEM_dcsde_knownGood
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!*** age results
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if (iand(mode, CPFEM_AGERESULTS) /= 0_pInt) call CPFEM_forward
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!*** collection of FEM input with returning of randomize odd stress and jacobian
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!* If no parallel execution is required, there is no need to collect FEM input
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if (.not. parallelExecution) then
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chosenThermal1: select case (thermal_type(material_homogenizationAt(elCP)))
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case (THERMAL_conduction_ID) chosenThermal1
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temperature(material_homogenizationAt(elCP))%p(thermalMapping(material_homogenizationAt(elCP))%p(ip,elCP)) = &
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temperature_inp
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end select chosenThermal1
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materialpoint_F0(1:3,1:3,ip,elCP) = ffn
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materialpoint_F(1:3,1:3,ip,elCP) = ffn1
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elseif (iand(mode, CPFEM_COLLECT) /= 0_pInt) then
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call random_number(rnd)
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if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
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CPFEM_cs(1:6,ip,elCP) = rnd * ODD_STRESS
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CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6)
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chosenThermal2: select case (thermal_type(material_homogenizationAt(elCP)))
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case (THERMAL_conduction_ID) chosenThermal2
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temperature(material_homogenizationAt(elCP))%p(thermalMapping(material_homogenizationAt(elCP))%p(ip,elCP)) = &
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temperature_inp
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end select chosenThermal2
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materialpoint_F0(1:3,1:3,ip,elCP) = ffn
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materialpoint_F(1:3,1:3,ip,elCP) = ffn1
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CPFEM_calc_done = .false.
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endif
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!*** calculation of stress and jacobian
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if (iand(mode, CPFEM_CALCRESULTS) /= 0_pInt) then
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!*** deformation gradient outdated or any actual deformation gradient differs more than relevantStrain from the stored one
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validCalculation: if (terminallyIll &
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.or. outdatedFFN1 &
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.or. any(abs(ffn1 - materialpoint_F(1:3,1:3,ip,elCP)) > defgradTolerance)) then
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if (any(abs(ffn1 - materialpoint_F(1:3,1:3,ip,elCP)) > defgradTolerance)) then
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if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) then
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write(6,'(a,1x,i8,1x,i2)') '<< CPFEM >> OUTDATED at elFE ip',elFE,ip
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write(6,'(a,/,3(12x,3(f10.6,1x),/))') '<< CPFEM >> FFN1 old:',&
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transpose(materialpoint_F(1:3,1:3,ip,elCP))
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write(6,'(a,/,3(12x,3(f10.6,1x),/))') '<< CPFEM >> FFN1 now:',transpose(ffn1)
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endif
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outdatedFFN1 = .true.
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endif
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call random_number(rnd)
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if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
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CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
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CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6)
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!*** deformation gradient is not outdated
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else validCalculation
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updateJaco = mod(cycleCounter,iJacoStiffness) == 0
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!* no parallel computation, so we use just one single elFE and ip for computation
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if (.not. parallelExecution) then
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FEsolving_execElem = elCP
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FEsolving_execIP = ip
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if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) &
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write(6,'(a,i8,1x,i2)') '<< CPFEM >> calculation for elFE ip ',elFE,ip
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call materialpoint_stressAndItsTangent(updateJaco, dt)
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!* parallel computation and calulation not yet done
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elseif (.not. CPFEM_calc_done) then
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if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) &
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write(6,'(a,i8,a,i8)') '<< CPFEM >> calculation for elements ',FEsolving_execElem(1),&
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' to ',FEsolving_execElem(2)
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call materialpoint_stressAndItsTangent(updateJaco, dt)
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CPFEM_calc_done = .true.
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endif
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!* map stress and stiffness (or return odd values if terminally ill)
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terminalIllness: if (terminallyIll) then
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call random_number(rnd)
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if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
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CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
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CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6)
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else terminalIllness
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! translate from P to CS
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Kirchhoff = matmul(materialpoint_P(1:3,1:3,ip,elCP), transpose(materialpoint_F(1:3,1:3,ip,elCP)))
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J_inverse = 1.0_pReal / math_det33(materialpoint_F(1:3,1:3,ip,elCP))
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CPFEM_cs(1:6,ip,elCP) = math_sym33to6(J_inverse * Kirchhoff,weighted=.false.)
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! translate from dP/dF to dCS/dE
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H = 0.0_pReal
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do i=1,3; do j=1,3; do k=1,3; do l=1,3; do m=1,3; do n=1,3
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H(i,j,k,l) = H(i,j,k,l) &
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+ materialpoint_F(j,m,ip,elCP) * materialpoint_F(l,n,ip,elCP) &
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* materialpoint_dPdF(i,m,k,n,ip,elCP) &
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- math_delta(j,l) * materialpoint_F(i,m,ip,elCP) * materialpoint_P(k,m,ip,elCP) &
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+ 0.5_pReal * ( Kirchhoff(j,l)*math_delta(i,k) + Kirchhoff(i,k)*math_delta(j,l) &
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+ Kirchhoff(j,k)*math_delta(i,l) + Kirchhoff(i,l)*math_delta(j,k))
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enddo; enddo; enddo; enddo; enddo; enddo
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forall(i=1:3, j=1:3,k=1:3,l=1:3) &
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H_sym(i,j,k,l) = 0.25_pReal * (H(i,j,k,l) + H(j,i,k,l) + H(i,j,l,k) + H(j,i,l,k))
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CPFEM_dcsde(1:6,1:6,ip,elCP) = math_sym3333to66(J_inverse * H_sym,weighted=.false.)
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endif terminalIllness
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endif validCalculation
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!* report stress and stiffness
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if ((iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) &
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.and. ((debug_e == elCP .and. debug_i == ip) &
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.or. .not. iand(debug_level(debug_CPFEM), debug_levelSelective) /= 0_pInt)) then
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write(6,'(a,i8,1x,i2,/,12x,6(f10.3,1x)/)') &
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'<< CPFEM >> stress/MPa at elFE ip ', elFE, ip, CPFEM_cs(1:6,ip,elCP)*1.0e-6_pReal
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write(6,'(a,i8,1x,i2,/,6(12x,6(f10.3,1x)/))') &
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'<< CPFEM >> Jacobian/GPa at elFE ip ', elFE, ip, transpose(CPFEM_dcsdE(1:6,1:6,ip,elCP))*1.0e-9_pReal
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flush(6)
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endif
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endif
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!*** warn if stiffness close to zero
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if (all(abs(CPFEM_dcsdE(1:6,1:6,ip,elCP)) < 1e-10_pReal)) call IO_warning(601,elCP,ip)
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!*** copy to output if using commercial FEM solver
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cauchyStress = CPFEM_cs (1:6, ip,elCP)
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jacobian = CPFEM_dcsdE(1:6,1:6,ip,elCP)
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!*** remember extreme values of stress ...
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cauchyStress33 = math_6toSym33(CPFEM_cs(1:6,ip,elCP),weighted=.false.)
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if (maxval(cauchyStress33) > debug_stressMax) then
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debug_stressMaxLocation = [elCP, ip]
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debug_stressMax = maxval(cauchyStress33)
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|
endif
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if (minval(cauchyStress33) < debug_stressMin) then
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|
|
debug_stressMinLocation = [elCP, ip]
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|
|
|
debug_stressMin = minval(cauchyStress33)
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|
|
|
endif
|
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|
|
|
!*** ... and Jacobian
|
|
|
|
|
jacobian3333 = math_66toSym3333(CPFEM_dcsdE(1:6,1:6,ip,elCP),weighted=.false.)
|
|
|
|
|
if (maxval(jacobian3333) > debug_jacobianMax) then
|
|
|
|
|
debug_jacobianMaxLocation = [elCP, ip]
|
|
|
|
|
debug_jacobianMax = maxval(jacobian3333)
|
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|
|
|
endif
|
|
|
|
|
if (minval(jacobian3333) < debug_jacobianMin) then
|
|
|
|
|
debug_jacobianMinLocation = [elCP, ip]
|
|
|
|
|
debug_jacobianMin = minval(jacobian3333)
|
|
|
|
|
endif
|
2014-07-24 14:08:52 +05:30
|
|
|
|
2012-03-09 01:55:28 +05:30
|
|
|
end subroutine CPFEM_general
|
2009-03-04 19:31:36 +05:30
|
|
|
|
2019-05-05 15:36:55 +05:30
|
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2020-02-25 22:23:15 +05:30
|
|
|
!> @brief Forward data for new time increment.
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
subroutine CPFEM_forward
|
|
|
|
|
|
|
|
|
|
call crystallite_forward
|
|
|
|
|
|
|
|
|
|
end subroutine CPFEM_forward
|
|
|
|
|
|
2019-05-05 15:36:55 +05:30
|
|
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
2020-02-25 22:23:15 +05:30
|
|
|
!> @brief Trigger writing of results.
|
2019-05-05 15:36:55 +05:30
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
|
|
|
subroutine CPFEM_results(inc,time)
|
|
|
|
|
|
2019-09-20 01:37:18 +05:30
|
|
|
integer(pInt), intent(in) :: inc
|
|
|
|
|
real(pReal), intent(in) :: time
|
2019-05-05 15:36:55 +05:30
|
|
|
|
2019-09-20 01:37:18 +05:30
|
|
|
call results_openJobFile
|
|
|
|
|
call results_addIncrement(inc,time)
|
|
|
|
|
call constitutive_results
|
|
|
|
|
call crystallite_results
|
2019-10-12 19:20:10 +05:30
|
|
|
call homogenization_results
|
2020-01-12 20:12:08 +05:30
|
|
|
call discretization_results
|
2020-01-10 06:15:00 +05:30
|
|
|
call results_finalizeIncrement
|
2019-09-20 01:37:18 +05:30
|
|
|
call results_closeJobFile
|
2019-05-05 15:36:55 +05:30
|
|
|
|
|
|
|
|
end subroutine CPFEM_results
|
|
|
|
|
|
2013-03-01 17:18:29 +05:30
|
|
|
end module CPFEM
|
