named some loops and made BUTCHER TABLEAUs parameters in crystallite_integrateStateRKCK45
This commit is contained in:
Martin Diehl
parent
9afaa9f4d0
commit
533fcec96f
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@ -26,7 +26,9 @@
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!--------------------------------------------------------------------------------------------------
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module crystallite
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use prec, only: pReal, pInt
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use prec, only: &
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pReal, &
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pInt
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implicit none
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private
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@ -122,37 +124,56 @@ contains
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_init(Temperature)
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use debug, only: debug_info, &
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use debug, only: &
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debug_info, &
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debug_reset, &
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debug_level, &
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debug_crystallite, &
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debug_levelBasic
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use numerics, only: &
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usePingPong
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use math, only: math_I3, &
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use math, only: &
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math_I3, &
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math_EulerToR, &
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math_inv33, &
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math_transpose33, &
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math_mul33xx33, &
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math_mul33x33
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use FEsolving, only: FEsolving_execElem, &
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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: mesh_element, &
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use mesh, only: &
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mesh_element, &
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mesh_NcpElems, &
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mesh_maxNips, &
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mesh_maxNipNeighbors
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use IO
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use IO, only: &
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IO_timeStamp, &
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IO_open_jobFile_stat, &
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IO_open_file, &
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IO_lc, &
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IO_getTag, &
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IO_isBlank, &
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IO_stringPos, &
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IO_stringValue, &
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IO_write_jobFile, &
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IO_error
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use material
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use lattice, only: lattice_symmetryType
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use constitutive, only: constitutive_microstructure
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use constitutive_phenopowerlaw, only: constitutive_phenopowerlaw_label, &
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use lattice, only: &
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lattice_symmetryType
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use constitutive, only: &
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constitutive_microstructure
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use constitutive_phenopowerlaw, only: &
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constitutive_phenopowerlaw_label, &
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constitutive_phenopowerlaw_structureName
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use constitutive_titanmod, only: constitutive_titanmod_label, &
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use constitutive_titanmod, only: &
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constitutive_titanmod_label, &
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constitutive_titanmod_structureName
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use constitutive_dislotwin, only: constitutive_dislotwin_label, &
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use constitutive_dislotwin, only: &
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constitutive_dislotwin_label, &
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constitutive_dislotwin_structureName
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use constitutive_nonlocal, only: constitutive_nonlocal_label, &
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use constitutive_nonlocal, only: &
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constitutive_nonlocal_label, &
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constitutive_nonlocal_structureName
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implicit none
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@ -160,16 +181,16 @@ subroutine crystallite_init(Temperature)
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integer(pInt), parameter :: myFile = 200_pInt, &
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maxNchunks = 2_pInt
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!*** local variables ***!
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integer(pInt), dimension(1+2*maxNchunks) :: positions
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integer(pInt) g, & ! grain number
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i, & ! integration point number
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e, & ! element number
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gMax, & ! maximum number of grains
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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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myNgrains, & ! number of grains in current IP
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integer(pInt) :: &
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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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gMax, & !< maximum number of grains
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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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myNgrains, & !< number of grains in current IP
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section, &
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j, &
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p, &
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@ -177,15 +198,14 @@ subroutine crystallite_init(Temperature)
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mySize, &
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myPhase, &
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myMat
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character(len=64) tag
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character(len=1024) line
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character(len=64) :: tag
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character(len=1024) :: line
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write(6,'(/,a)') ' <<<+- crystallite init -+>>>'
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write(6,'(a)') ' $Id$'
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write(6,'(a16,a)') ' Current time : ',IO_timeStamp()
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write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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gMax = homogenization_maxNgrains
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iMax = mesh_maxNips
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eMax = mesh_NcpElems
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@ -276,9 +296,6 @@ subroutine crystallite_init(Temperature)
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100 close(myFile)
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do i = 1_pInt,material_Ncrystallite ! sanity checks
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enddo
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do i = 1_pInt,material_Ncrystallite
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do j = 1_pInt,crystallite_Noutput(i)
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select case(crystallite_output(j,i))
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@ -310,14 +327,13 @@ subroutine crystallite_init(Temperature)
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crystallite_sizePostResults(microstructure_crystallite(j)))
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enddo
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!--------------------------------------------------------------------------------------------------
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! write description file for crystallite output
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call IO_write_jobFile(myFile,'outputCrystallite')
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do p = 1_pInt,material_Ncrystallite
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write(myFile,*)
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write(myFile,'(a)') '['//trim(crystallite_name(p))//']'
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write(myFile,*)
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write(myFile,'(/,a,/)') '['//trim(crystallite_name(p))//']'
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do e = 1_pInt,crystallite_Noutput(p)
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write(myFile,'(a,i4)') trim(crystallite_output(e,p))//char(9),crystallite_sizePostResult(e,p)
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enddo
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@ -325,7 +341,8 @@ subroutine crystallite_init(Temperature)
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close(myFile)
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!--------------------------------------------------------------------------------------------------
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! initialize
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do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over all cp elements
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myNgrains = homogenization_Ngrains(mesh_element(3,e)) ! look up homogenization-->grainCount
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forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1_pInt:myNgrains)
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@ -338,16 +355,15 @@ do e = FEsolving_execElem(1),FEsolving_execElem(2)
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endforall
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enddo
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if(any(.not. crystallite_localPlasticity) .and. .not. usePingPong) call IO_error(601)
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if(any(.not. crystallite_localPlasticity) .and. .not. usePingPong) call IO_error(601_pInt)
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crystallite_partionedTemperature0 = Temperature ! isothermal assumption
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crystallite_partionedFp0 = crystallite_Fp0
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crystallite_partionedF0 = crystallite_F0
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crystallite_partionedF = crystallite_F0
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! Initialize crystallite_symmetryID(g,i,e)
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!--------------------------------------------------------------------------------------------------
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! Initialize crystallite_symmetryID
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNgrains = homogenization_Ngrains(mesh_element(3,e))
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
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@ -356,31 +372,35 @@ do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myMat = phase_plasticityInstance(myPhase)
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select case (phase_plasticity(myPhase))
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case (constitutive_phenopowerlaw_label)
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crystallite_symmetryID(g,i,e) = lattice_symmetryType(constitutive_phenopowerlaw_structureName(myMat))
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crystallite_symmetryID(g,i,e) = &
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lattice_symmetryType(constitutive_phenopowerlaw_structureName(myMat))
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case (constitutive_titanmod_label)
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crystallite_symmetryID(g,i,e) = lattice_symmetryType(constitutive_titanmod_structureName(myMat))
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crystallite_symmetryID(g,i,e) = &
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lattice_symmetryType(constitutive_titanmod_structureName(myMat))
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case (constitutive_dislotwin_label)
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crystallite_symmetryID(g,i,e) = lattice_symmetryType(constitutive_dislotwin_structureName(myMat))
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crystallite_symmetryID(g,i,e) = &
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lattice_symmetryType(constitutive_dislotwin_structureName(myMat))
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case (constitutive_nonlocal_label)
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crystallite_symmetryID(g,i,e) = lattice_symmetryType(constitutive_nonlocal_structureName(myMat))
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crystallite_symmetryID(g,i,e) = &
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lattice_symmetryType(constitutive_nonlocal_structureName(myMat))
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case default
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crystallite_symmetryID(g,i,e) = 0_pInt ! does this happen for j2 material?
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crystallite_symmetryID(g,i,e) = 0_pInt !< ToDo: does this happen for j2 material?
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end select
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enddo
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enddo
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enddo
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call crystallite_orientations()
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crystallite_orientation0 = crystallite_orientation ! Store initial orientations for calculation of grain rotations
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crystallite_orientation0 = crystallite_orientation ! store initial orientations for calculation of grain rotations
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!$OMP PARALLEL DO PRIVATE(myNgrains)
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do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNgrains = homogenization_Ngrains(mesh_element(3,e))
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do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
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do g = 1_pInt,myNgrains
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call constitutive_microstructure(crystallite_Temperature(g,i,e), crystallite_Fe(1:3,1:3,g,i,e), &
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crystallite_Fp(1:3,1:3,g,i,e), g, i, e) ! update dependent state variables to be consistent with basic states
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call constitutive_microstructure(crystallite_Temperature(g,i,e), &
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crystallite_Fe(1:3,1:3,g,i,e), crystallite_Fp(1:3,1:3,g,i,e),g,i,e) ! update dependent state variables to be consistent with basic states
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enddo
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enddo
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enddo
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@ -389,7 +409,8 @@ crystallite_orientation0 = crystallite_orientation ! Store initial o
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call crystallite_stressAndItsTangent(.true.,.false.) ! request elastic answers
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crystallite_fallbackdPdF = crystallite_dPdF ! use initial elastic stiffness as fallback
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! *** Output ***
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!--------------------------------------------------------------------------------------------------
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! debug output
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if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
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write(6,'(a35,1x,7(i8,1x))') 'crystallite_Temperature: ', shape(crystallite_Temperature)
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write(6,'(a35,1x,7(i8,1x))') 'crystallite_dotTemperature: ', shape(crystallite_dotTemperature)
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@ -449,7 +470,8 @@ end subroutine crystallite_init
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!> @brief calculate stress (P) and tangent (dPdF) for crystallites
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!--------------------------------------------------------------------------------------------------
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subroutine crystallite_stressAndItsTangent(updateJaco,rate_sensitivity)
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use numerics, only: subStepMinCryst, &
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use numerics, only: &
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subStepMinCryst, &
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subStepSizeCryst, &
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stepIncreaseCryst, &
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pert_Fg, &
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@ -460,7 +482,8 @@ use numerics, only: subStepMinCryst, &
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numerics_timeSyncing, &
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relevantStrain, &
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analyticJaco
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use debug, only: debug_level, &
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use debug, only: &
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debug_level, &
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debug_crystallite, &
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debug_levelBasic, &
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debug_levelExtensive, &
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@ -469,8 +492,10 @@ use debug, only: debug_level, &
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debug_i, &
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debug_g, &
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debug_CrystalliteLoopDistribution
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use IO, only: IO_warning
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use math, only: math_inv33, &
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use IO, only: &
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IO_warning
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use math, only: &
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math_inv33, &
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math_identity2nd, &
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math_transpose33, &
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math_mul33x33, &
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@ -479,18 +504,22 @@ use math, only: math_inv33, &
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math_Mandel33to6, &
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math_I3, &
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math_mul3333xx3333
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use FEsolving, only: FEsolving_execElem, &
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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: mesh_element, &
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use mesh, only: &
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mesh_element, &
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mesh_NcpElems, &
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mesh_maxNips, &
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mesh_ipNeighborhood, &
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FE_NipNeighbors, &
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FE_geomtype, &
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FE_celltype
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use material, only: homogenization_Ngrains, &
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FE_cellType
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use material, only: &
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homogenization_Ngrains, &
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homogenization_maxNgrains
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use constitutive, only: constitutive_sizeState, &
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use constitutive, only: &
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constitutive_sizeState, &
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constitutive_sizeDotState, &
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constitutive_state, &
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constitutive_state_backup, &
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@ -501,9 +530,8 @@ use constitutive, only: constitutive_sizeState, &
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constitutive_dotState_backup, &
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constitutive_TandItsTangent
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implicit none
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logical, intent(in) :: updateJaco, rate_sensitivity ! flag indicating wehther we want to update the Jacobian (stiffness) or not
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logical, intent(in) :: updateJaco, rate_sensitivity ! flag indicating whether we want to update the Jacobian (stiffness) or not
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real(pReal) myPert, & ! perturbation with correct sign
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formerSubStep, &
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subFracIntermediate
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@ -552,7 +580,6 @@ real(pReal), dimension(3,3,3,3) :: dSdFe, &
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junk2
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real(pReal) :: counter
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! --+>> INITIALIZE TO STARTING CONDITION <<+--
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if(iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt&
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.and. debug_e > 0 .and. debug_e <= mesh_NcpElems &
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@ -571,11 +598,14 @@ if(iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt&
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!$OMP END CRITICAL (write2out)
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endif
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!--------------------------------------------------------------------------------------------------
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! initialize to starting condition
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crystallite_subStep = 0.0_pReal
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do e = FEsolving_execElem(1),FEsolving_execElem(2) ! iterate over elements to be processed
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elementLooping1: do e = FEsolving_execElem(1),FEsolving_execElem(2)
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myNgrains = homogenization_Ngrains(mesh_element(3,e))
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forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1_pInt:myNgrains, crystallite_requested(g,i,e))
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forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), &
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g = 1_pInt:myNgrains, crystallite_requested(g,i,e))
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crystallite_subTemperature0(g,i,e) = crystallite_partionedTemperature0(g,i,e) ! ...temperature
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constitutive_subState0(g,i,e)%p = constitutive_partionedState0(g,i,e)%p ! ...microstructure
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crystallite_subFp0(1:3,1:3,g,i,e) = crystallite_partionedFp0(1:3,1:3,g,i,e) ! ...plastic def grad
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@ -590,14 +620,14 @@ do e = FEsolving_execElem(1),FEsolving_execElem(2)
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crystallite_todo(g,i,e) = .true.
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crystallite_converged(g,i,e) = .false. ! pretend failed step of twice the required size
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endforall
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enddo
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enddo elementLooping1
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! --+>> CRYSTALLITE CUTBACK LOOP <<+--
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NiterationCrystallite = 0_pInt
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numerics_integrationMode = 1_pInt
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do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))) ! cutback loop for crystallites
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cutbackLooping: do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2))))
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if (any(.not. crystallite_localPlasticity) .and. numerics_timeSyncing) then
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@ -873,7 +903,8 @@ do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))
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crystallite_subF0(1:3,1:3,g,i,e) = crystallite_subF(1:3,1:3,g,i,e) ! ...def grad
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!$OMP FLUSH(crystallite_subF0)
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crystallite_subFp0(1:3,1:3,g,i,e) = crystallite_Fp(1:3,1:3,g,i,e) ! ...plastic def grad
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crystallite_subFe0(1:3,1:3,g,i,e) = math_mul33x33(crystallite_subF(1:3,1:3,g,i,e), crystallite_invFp(1:3,1:3,g,i,e)) ! only needed later on for stiffness calculation
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crystallite_subFe0(1:3,1:3,g,i,e) = &
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math_mul33x33(crystallite_subF(1:3,1:3,g,i,e), crystallite_invFp(1:3,1:3,g,i,e)) ! only needed later on for stiffness calculation
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crystallite_subLp0(1:3,1:3,g,i,e) = crystallite_Lp(1:3,1:3,g,i,e) ! ...plastic velocity gradient
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constitutive_subState0(g,i,e)%p = constitutive_state(g,i,e)%p ! ...microstructure
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crystallite_subTstar0_v(1:6,g,i,e) = crystallite_Tstar_v(1:6,g,i,e) ! ...2nd PK stress
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@ -948,7 +979,8 @@ do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))
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if (crystallite_todo(g,i,e) .and. (crystallite_clearToWindForward(i,e) .or. crystallite_clearToCutback(i,e))) then
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crystallite_subF(1:3,1:3,g,i,e) = crystallite_subF0(1:3,1:3,g,i,e) &
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+ crystallite_subStep(g,i,e) &
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* (crystallite_partionedF(1:3,1:3,g,i,e) - crystallite_partionedF0(1:3,1:3,g,i,e))
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* (crystallite_partionedF(1:3,1:3,g,i,e) &
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- crystallite_partionedF0(1:3,1:3,g,i,e))
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!$OMP FLUSH(crystallite_subF)
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crystallite_Fe(1:3,1:3,g,i,e) = math_mul33x33(crystallite_subF(1:3,1:3,g,i,e), crystallite_invFp(1:3,1:3,g,i,e))
|
||||
crystallite_subdt(g,i,e) = crystallite_subStep(g,i,e) * crystallite_dt(g,i,e)
|
||||
|
|
@ -987,12 +1019,10 @@ do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))
|
|||
|
||||
if (iand(debug_level(debug_crystallite),debug_levelExtensive) /= 0_pInt) then
|
||||
!$OMP CRITICAL (write2out)
|
||||
write(6,*)
|
||||
write(6,'(a,e12.5)') '<< CRYST >> min(subStep) ',minval(crystallite_subStep)
|
||||
write(6,'(/,a,e12.5)') '<< CRYST >> min(subStep) ',minval(crystallite_subStep)
|
||||
write(6,'(a,e12.5)') '<< CRYST >> max(subStep) ',maxval(crystallite_subStep)
|
||||
write(6,'(a,e12.5)') '<< CRYST >> min(subFrac) ',minval(crystallite_subFrac)
|
||||
write(6,'(a,e12.5)') '<< CRYST >> max(subFrac) ',maxval(crystallite_subFrac)
|
||||
write(6,*)
|
||||
write(6,'(a,e12.5,/)') '<< CRYST >> max(subFrac) ',maxval(crystallite_subFrac)
|
||||
!$OMP END CRITICAL (write2out)
|
||||
endif
|
||||
|
||||
|
|
@ -1018,7 +1048,7 @@ do while (any(crystallite_todo(:,:,FEsolving_execELem(1):FEsolving_execElem(2)))
|
|||
|
||||
NiterationCrystallite = NiterationCrystallite + 1_pInt
|
||||
|
||||
enddo ! cutback loop
|
||||
enddo cutbackLooping
|
||||
|
||||
|
||||
! --+>> CHECK FOR NON-CONVERGED CRYSTALLITES <<+--
|
||||
|
|
@ -1044,11 +1074,12 @@ do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
|||
.or. .not. iand(debug_level(debug_crystallite),debug_levelSelective) /= 0_pInt)) then
|
||||
!$OMP CRITICAL (write2out)
|
||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> central solution of cryst_StressAndTangent at el ip g ',e,i,g
|
||||
write(6,*)
|
||||
write(6,'(a,/,3(12x,3(f12.4,1x)/))') '<< CRYST >> P / MPa', math_transpose33(crystallite_P(1:3,1:3,g,i,e))/1.0e6_pReal
|
||||
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Fp', math_transpose33(crystallite_Fp(1:3,1:3,g,i,e))
|
||||
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Lp', math_transpose33(crystallite_Lp(1:3,1:3,g,i,e))
|
||||
write(6,*)
|
||||
write(6,'(/,a,/,3(12x,3(f12.4,1x)/))') '<< CRYST >> P / MPa', &
|
||||
math_transpose33(crystallite_P(1:3,1:3,g,i,e))/1.0e6_pReal
|
||||
write(6,'(a,/,3(12x,3(f14.9,1x)/))') '<< CRYST >> Fp', &
|
||||
math_transpose33(crystallite_Fp(1:3,1:3,g,i,e))
|
||||
write(6,'(a,/,3(12x,3(f14.9,1x)/),/)') '<< CRYST >> Lp', &
|
||||
math_transpose33(crystallite_Lp(1:3,1:3,g,i,e))
|
||||
!$OMP END CRITICAL (write2out)
|
||||
endif
|
||||
enddo
|
||||
|
|
@ -1184,7 +1215,7 @@ if(updateJaco) then
|
|||
|
||||
! --- STIFFNESS ACCORDING TO PERTURBATION METHOD AND CONVERGENCE ---
|
||||
|
||||
elementLooping: do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
elementLooping2: do e = FEsolving_execElem(1),FEsolving_execElem(2)
|
||||
myNgrains = homogenization_Ngrains(mesh_element(3,e))
|
||||
select case(pert_method)
|
||||
case(1_pInt)
|
||||
|
|
@ -1204,7 +1235,7 @@ if(updateJaco) then
|
|||
forall (i = FEsolving_execIP(1,e):FEsolving_execIP(2,e), g = 1:myNgrains, &
|
||||
crystallite_requested(g,i,e) .and. .not. convergenceFlag_backup(g,i,e)) & ! for any pertubation mode: if central solution did not converge...
|
||||
crystallite_dPdF(1:3,1:3,1:3,1:3,g,i,e) = crystallite_fallbackdPdF(1:3,1:3,1:3,1:3,g,i,e) ! ...use (elastic) fallback
|
||||
enddo elementLooping
|
||||
enddo elementLooping2
|
||||
|
||||
|
||||
! --- RESTORE ---
|
||||
|
|
@ -1592,8 +1623,8 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
constitutive_microstructure
|
||||
|
||||
implicit none
|
||||
!*** local variables ***!
|
||||
integer(pInt) e, & ! element index in element loop
|
||||
integer(pInt) :: &
|
||||
e, & ! element index in element loop
|
||||
i, & ! integration point index in ip loop
|
||||
g, & ! grain index in grain loop
|
||||
n, & ! stage index in integration stage loop
|
||||
|
|
@ -1604,58 +1635,31 @@ subroutine crystallite_integrateStateRKCK45()
|
|||
gIter ! bounds for grain iteration
|
||||
real(pReal), dimension(6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||
RKCK45dotTemperature ! evolution of Temperature of each grain for Runge Kutta Cash Karp integration
|
||||
real(pReal), dimension(5,5) :: a ! coefficients in Butcher tableau (used for preliminary integration in stages 2 to 6)
|
||||
real(pReal), dimension(6) :: b, db ! coefficients in Butcher tableau (used for final integration and error estimate)
|
||||
real(pReal), dimension(5) :: c ! coefficients in Butcher tableau (fractions of original time step in stages 2 to 6)
|
||||
real(pReal), dimension(5,5), parameter :: A = reshape([&
|
||||
.2_pReal, .075_pReal, .3_pReal, -11.0_pReal/54.0_pReal, 1631.0_pReal/55296.0_pReal, &
|
||||
.0_pReal, .225_pReal, -.9_pReal, 2.5_pReal, 175.0_pReal/512.0_pReal, &
|
||||
.0_pReal, .0_pReal, 1.2_pReal, -70.0_pReal/27.0_pReal, 575.0_pReal/13824.0_pReal, &
|
||||
.0_pReal, .0_pReal, .0_pReal, 35.0_pReal/27.0_pReal, 44275.0_pReal/110592.0_pReal, &
|
||||
.0_pReal, .0_pReal, .0_pReal, .0_pReal, 253.0_pReal/4096.0_pReal], &
|
||||
[5,5], order=[2,1]) !< coefficients in Butcher tableau (used for preliminary integration in stages 2 to 6)
|
||||
|
||||
real(pReal), dimension(6), parameter :: B = &
|
||||
[37.0_pReal/378.0_pReal, .0_pReal, 250.0_pReal/621.0_pReal, &
|
||||
125.0_pReal/594.0_pReal, .0_pReal, 512.0_pReal/1771.0_pReal], & !< coefficients in Butcher tableau (used for final integration and error estimate)
|
||||
DB = B - &
|
||||
[2825.0_pReal/27648.0_pReal, .0_pReal, 18575.0_pReal/48384.0_pReal,&
|
||||
13525.0_pReal/55296.0_pReal,277.0_pReal/14336.0_pReal, 0.25_pReal] !< coefficients in Butcher tableau (used for final integration and error estimate)
|
||||
|
||||
|
||||
real(pReal), dimension(5), parameter :: C = &
|
||||
[0.2_pReal, 0.3_pReal, 0.6_pReal, 1.0_pReal, 0.875_pReal] !< coefficients in Butcher tableau (fractions of original time step in stages 2 to 6)
|
||||
real(pReal), dimension(constitutive_maxSizeDotState,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||
stateResiduum, & ! residuum from evolution in micrstructure
|
||||
relStateResiduum ! relative residuum from evolution in microstructure
|
||||
real(pReal), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
|
||||
temperatureResiduum, & ! residuum from evolution in temperature
|
||||
relTemperatureResiduum ! relative residuum from evolution in temperature
|
||||
logical singleRun ! flag indicating computation for single (g,i,e) triple
|
||||
|
||||
|
||||
! --- FILL BUTCHER TABLEAU ---
|
||||
|
||||
a = 0.0_pReal
|
||||
b = 0.0_pReal
|
||||
db = 0.0_pReal
|
||||
c = 0.0_pReal
|
||||
|
||||
a(1,1) = 0.2_pReal
|
||||
a(1,2) = 0.075_pReal
|
||||
a(2,2) = 0.225_pReal
|
||||
a(1,3) = 0.3_pReal
|
||||
a(2,3) = -0.9_pReal
|
||||
a(3,3) = 1.2_pReal
|
||||
a(1,4) = -11.0_pReal / 54.0_pReal
|
||||
a(2,4) = 2.5_pReal
|
||||
a(3,4) = -70.0_pReal / 27.0_pReal
|
||||
a(4,4) = 35.0_pReal / 27.0_pReal
|
||||
a(1,5) = 1631.0_pReal / 55296.0_pReal
|
||||
a(2,5) = 175.0_pReal / 512.0_pReal
|
||||
a(3,5) = 575.0_pReal / 13824.0_pReal
|
||||
a(4,5) = 44275.0_pReal / 110592.0_pReal
|
||||
a(5,5) = 253.0_pReal / 4096.0_pReal
|
||||
|
||||
b(1) = 37.0_pReal / 378.0_pReal
|
||||
b(3) = 250.0_pReal / 621.0_pReal
|
||||
b(4) = 125.0_pReal / 594.0_pReal
|
||||
b(6) = 512.0_pReal / 1771.0_pReal
|
||||
|
||||
db(1) = b(1) - 2825.0_pReal / 27648.0_pReal
|
||||
db(3) = b(3) - 18575.0_pReal / 48384.0_pReal
|
||||
db(4) = b(4) - 13525.0_pReal / 55296.0_pReal
|
||||
db(5) = - 277.0_pReal / 14336.0_pReal
|
||||
db(6) = b(6) - 0.25_pReal
|
||||
|
||||
c(1) = 0.2_pReal
|
||||
c(2) = 0.3_pReal
|
||||
c(3) = 0.6_pReal
|
||||
c(4) = 1.0_pReal
|
||||
c(5) = 0.875_pReal
|
||||
|
||||
logical :: singleRun ! flag indicating computation for single (g,i,e) triple
|
||||
|
||||
! --- LOOP ITERATOR FOR ELEMENT, GRAIN, IP ---
|
||||
eIter = FEsolving_execElem(1:2)
|
||||
|
|
@ -2352,8 +2356,7 @@ subroutine crystallite_integrateStateAdaptiveEuler()
|
|||
|
||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
|
||||
!$OMP CRITICAL (write2out)
|
||||
write(6,'(a,i8,a,i2)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), ' grains converged'
|
||||
write(6,*)
|
||||
write(6,'(a,i8,a,i2,/)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), ' grains converged'
|
||||
!$OMP END CRITICAL (write2out)
|
||||
endif
|
||||
if (.not. singleRun) then ! if not requesting Integration of just a single IP
|
||||
|
|
@ -2637,7 +2640,7 @@ subroutine crystallite_integrateStateFPI()
|
|||
|
||||
!$OMP DO
|
||||
do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains
|
||||
if (crystallite_todo(g,i,e)) then
|
||||
if (crystallite_todo(g,i,e)) then !< @ToDo: Put in loop above?
|
||||
call constitutive_collectDotState(crystallite_Tstar_v(1:6,g,i,e), crystallite_Fe, crystallite_Fp, &
|
||||
crystallite_Temperature(g,i,e), crystallite_subdt(g,i,e), crystallite_subFrac, g,i,e)
|
||||
crystallite_dotTemperature(g,i,e) = constitutive_dotTemperature(crystallite_Tstar_v(1:6,g,i,e), &
|
||||
|
|
@ -2800,14 +2803,10 @@ subroutine crystallite_integrateStateFPI()
|
|||
if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt &
|
||||
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
|
||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> update state at el ip g ',e,i,g
|
||||
write(6,*)
|
||||
write(6,'(a,f6.1)') '<< CRYST >> statedamper ',statedamper
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.6,1x)))') '<< CRYST >> state residuum',stateResiduum(1:mySizeDotState)
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.6,1x)))') '<< CRYST >> new state',tempState(1:mySizeDotState)
|
||||
write(6,*)
|
||||
write(6,'(a,i8,1x,i2,1x,i3,/)') '<< CRYST >> update state at el ip g ',e,i,g
|
||||
write(6,'(a,f6.1,/)') '<< CRYST >> statedamper ',statedamper
|
||||
write(6,'(a,/,(12x,12(e12.6,1x)),/)') '<< CRYST >> state residuum',stateResiduum(1:mySizeDotState)
|
||||
write(6,'(a,/,(12x,12(e12.6,1x)),/)') '<< CRYST >> new state',tempState(1:mySizeDotState)
|
||||
endif
|
||||
#endif
|
||||
|
||||
|
|
@ -2880,10 +2879,10 @@ subroutine crystallite_integrateStateFPI()
|
|||
|
||||
if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt) then
|
||||
!$OMP CRITICAL(write2out)
|
||||
write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_converged(:,:,:)),' grains converged after non-local check'
|
||||
write(6,'(a,i8,a,i2)') '<< CRYST >> ', count(crystallite_todo(:,:,:)),' grains todo after state integration no. ',&
|
||||
NiterationState
|
||||
write(6,*)
|
||||
write(6,'(a,i8,a)') '<< CRYST >> ', count(crystallite_converged(:,:,:)), &
|
||||
' grains converged after non-local check'
|
||||
write(6,'(a,i8,a,i2,/)') '<< CRYST >> ', count(crystallite_todo(:,:,:)), &
|
||||
' grains todo after state integration no. ', NiterationState
|
||||
!$OMP END CRITICAL(write2out)
|
||||
endif
|
||||
|
||||
|
|
@ -2895,8 +2894,9 @@ end subroutine crystallite_integrateStateFPI
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates a jump in the state according to the current state and the current stress
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function crystallite_stateJump(g,i,e)
|
||||
use debug, only: debug_level, &
|
||||
logical function crystallite_stateJump(g,i,e)
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_crystallite, &
|
||||
debug_levelExtensive, &
|
||||
debug_levelSelective, &
|
||||
|
|
@ -2919,11 +2919,7 @@ function crystallite_stateJump(g,i,e)
|
|||
i, & ! integration point index
|
||||
g ! grain index
|
||||
|
||||
!*** output variables ***!
|
||||
logical crystallite_stateJump
|
||||
|
||||
!*** local variables ***!
|
||||
integer(pInt) mySizeDotState
|
||||
integer(pInt) :: mySizeDotState
|
||||
|
||||
|
||||
crystallite_stateJump = .false.
|
||||
|
|
@ -2943,12 +2939,9 @@ function crystallite_stateJump(g,i,e)
|
|||
.and. iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt &
|
||||
.and. ((e == debug_e .and. i == debug_i .and. g == debug_g) &
|
||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
||||
write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> update state at el ip g ',e,i,g
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.6,1x)))') '<< CRYST >> deltaState', constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
|
||||
write(6,*)
|
||||
write(6,'(a,/,(12x,12(e12.6,1x)))') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
|
||||
write(6,*)
|
||||
write(6,'(a,i8,1x,i2,1x,i3, /)') '<< CRYST >> update state at el ip g ',e,i,g
|
||||
write(6,'(a,/,(12x,12(e12.6,1x)),/)') '<< CRYST >> deltaState', constitutive_deltaState(g,i,e)%p(1:mySizeDotState)
|
||||
write(6,'(a,/,(12x,12(e12.6,1x)),/)') '<< CRYST >> new state', constitutive_state(g,i,e)%p(1:mySizeDotState)
|
||||
endif
|
||||
#endif
|
||||
|
||||
|
|
@ -2957,12 +2950,11 @@ function crystallite_stateJump(g,i,e)
|
|||
end function crystallite_stateJump
|
||||
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculation of stress (P) with time integration based on a residuum in Lp and
|
||||
!> intermediate acceleration of the Newton-Raphson correction
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function crystallite_integrateStress(&
|
||||
logical function crystallite_integrateStress(&
|
||||
g,& ! grain number
|
||||
i,& ! integration point number
|
||||
e,& ! element number
|
||||
|
|
@ -3013,9 +3005,6 @@ function crystallite_integrateStress(&
|
|||
g ! grain index
|
||||
real(pReal), optional, intent(in) :: timeFraction ! fraction of timestep
|
||||
|
||||
!*** output variables ***!
|
||||
logical crystallite_integrateStress ! flag indicating if integration suceeded
|
||||
|
||||
!*** local variables ***!
|
||||
real(pReal), dimension(3,3):: Fg_new, & ! deformation gradient at end of timestep
|
||||
Fp_current, & ! plastic deformation gradient at start of timestep
|
||||
|
|
@ -3410,13 +3399,13 @@ subroutine crystallite_orientations
|
|||
crystallite_orientation(1:4,1,neighboring_i,neighboring_e), &
|
||||
crystallite_symmetryID(1,i,e)) ! calculate disorientation
|
||||
else ! for neighbor with different phase
|
||||
crystallite_disorientation(:,n,1,i,e) = (/0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal/) ! 180 degree rotation about 100 axis
|
||||
crystallite_disorientation(:,n,1,i,e) = [0.0_pReal, 1.0_pReal, 0.0_pReal, 0.0_pReal] ! 180 degree rotation about 100 axis
|
||||
endif
|
||||
else ! for neighbor with local plasticity
|
||||
crystallite_disorientation(:,n,1,i,e) = (/-1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal/) ! homomorphic identity
|
||||
crystallite_disorientation(:,n,1,i,e) = [-1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal] ! homomorphic identity
|
||||
endif
|
||||
else ! no existing neighbor
|
||||
crystallite_disorientation(:,n,1,i,e) = (/-1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal/) ! homomorphic identity
|
||||
crystallite_disorientation(:,n,1,i,e) = [-1.0_pReal, 0.0_pReal, 0.0_pReal, 0.0_pReal] ! homomorphic identity
|
||||
endif
|
||||
enddo
|
||||
|
||||
|
|
@ -3471,11 +3460,9 @@ function crystallite_postResults(&
|
|||
g ! grain index
|
||||
real(pReal), intent(in):: dt ! time increment
|
||||
|
||||
!*** output variables ***!
|
||||
real(pReal), dimension(1+crystallite_sizePostResults(microstructure_crystallite(mesh_element(4,e)))+ &
|
||||
1+constitutive_sizePostResults(g,i,e)) :: crystallite_postResults
|
||||
|
||||
!*** local variables ***!
|
||||
real(pReal), dimension(3,3) :: Ee
|
||||
real(pReal), dimension(4) :: rotation
|
||||
real(pReal) detF
|
||||
|
|
|
|||
Loading…
Reference in New Issue