From 3fdf602acc43ce0ba46e09e8d274ec536ec70b78 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 15 Apr 2014 10:49:24 +0000 Subject: [PATCH] modified reading in of values (realizes, if phase is not used in the model at all), started to include HDF5 output and new state --- code/constitutive_j2.f90 | 152 +++++++++++++++++++++++++++++++++------ 1 file changed, 130 insertions(+), 22 deletions(-) diff --git a/code/constitutive_j2.f90 b/code/constitutive_j2.f90 index 0f7202d58..e0c2b8d70 100644 --- a/code/constitutive_j2.f90 +++ b/code/constitutive_j2.f90 @@ -9,6 +9,10 @@ !! untextured polycrystal !-------------------------------------------------------------------------------------------------- module constitutive_j2 +#ifdef HDF + use hdf5, only: & + HID_T +#endif use prec, only: & pReal,& pInt @@ -28,7 +32,6 @@ module constitutive_j2 integer(pInt), dimension(:), allocatable, private :: & constitutive_j2_Noutput !< number of outputs per instance - real(pReal), dimension(:), allocatable, private :: & constitutive_j2_fTaylor, & !< Taylor factor constitutive_j2_tau0, & !< initial plastic stress @@ -55,13 +58,26 @@ module constitutive_j2 end enum integer(kind(undefined_ID)), dimension(:,:), allocatable, private :: & constitutive_j2_outputID !< ID of each post result output - + +#ifdef HDF + type constitutive_j2_tOutput + real(pReal), dimension(:), allocatable, private :: & + flowstress, & + strainrate + logical :: flowstressActive = .false., strainrateActive = .false. ! if we can write the output block wise, this is not needed anymore because we can do an if(allocated(xxx)) + end type constitutive_j2_tOutput + type(constitutive_j2_tOutput), allocatable, dimension(:) :: constitutive_j2_Output2 +integer(HID_T), allocatable, dimension(:) :: outID +#endif public :: & constitutive_j2_init, & constitutive_j2_stateInit, & constitutive_j2_aTolState, & constitutive_j2_LpAndItsTangent, & constitutive_j2_dotState, & +#ifdef HDF + constitutive_j2_postResults2, & +#endif constitutive_j2_postResults contains @@ -73,7 +89,10 @@ contains !-------------------------------------------------------------------------------------------------- subroutine constitutive_j2_init(fileUnit) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) - use debug, only: & +#ifdef HDF + use hdf5 +#endif +use debug, only: & debug_level, & debug_constitutive, & debug_levelBasic @@ -90,6 +109,11 @@ subroutine constitutive_j2_init(fileUnit) IO_floatValue, & IO_error, & IO_timeStamp, & +#ifdef HDF + tempResults, & + HDF5_addGroup, & + HDF5_addScalarDataset,& +#endif IO_EOF use material, only: & homogenization_maxNgrains, & @@ -98,6 +122,7 @@ subroutine constitutive_j2_init(fileUnit) phase_Noutput, & PLASTICITY_J2_label, & PLASTICITY_J2_ID, & + material_phase,& MATERIAL_partPhase use lattice @@ -107,10 +132,15 @@ subroutine constitutive_j2_init(fileUnit) integer(pInt), parameter :: MAXNCHUNKS = 7_pInt integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions - integer(pInt) :: phase, maxNinstance, instance,o, mySize + integer(pInt) :: phase, maxNinstance, instance,o, mySize, myConstituents character(len=65536) :: & tag = '', & line = '' +#ifdef HDF + character(len=5) :: & + str1 + integer(HID_T) :: ID,ID2,ID4 +#endif write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_J2_label//' init -+>>>' write(6,'(a)') ' $Id$' @@ -120,6 +150,11 @@ subroutine constitutive_j2_init(fileUnit) maxNinstance = int(count(phase_plasticity == PLASTICITY_J2_ID),pInt) if (maxNinstance == 0_pInt) return +#ifdef HDF + allocate(constitutive_j2_Output2(maxNinstance)) + allocate(outID(maxNinstance)) +#endif + if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance @@ -151,7 +186,7 @@ subroutine constitutive_j2_init(fileUnit) line = IO_read(fileUnit) enddo - parsingFile: do while (trim(line) /= IO_EOF) ! read through sections of phase part + parsingFile: do while (trim(line) /= IO_EOF) ! read through sections of phase part line = IO_read(fileUnit) if (IO_isBlank(line)) cycle ! skip empty lines if (IO_getTag(line,'<','>') /= '') then ! stop at next part @@ -159,16 +194,25 @@ subroutine constitutive_j2_init(fileUnit) exit endif if (IO_getTag(line,'[',']') /= '') then ! next section + myConstituents = 0_pInt phase = phase + 1_pInt ! advance section counter if (phase_plasticity(phase) == PLASTICITY_J2_ID) then instance = phase_plasticityInstance(phase) + myConstituents = count(material_phase==phase) +#ifdef HDF + outID(instance)=HDF5_addGroup(str1,tempResults) +#endif +#ifdef NEWSTATE + allocate(plasticState(phase)%s(1,myConstituents)) ! initialize state (like stateInit) +#endif endif cycle ! skip to next line endif - if (phase > 0_pInt ) then; if (phase_plasticity(phase) == PLASTICITY_J2_ID) then ! one of my sections. Do not short-circuit here (.and. between if-statements), it's not safe in Fortran + if (myConstituents > 0_pInt ) then instance = phase_plasticityInstance(phase) ! which instance of my plasticity is present phase positions = IO_stringPos(line,MAXNCHUNKS) tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key + select case(tag) case ('plasticity','elasticity','lattice_structure', & 'covera_ratio','c/a_ratio','c/a', & @@ -180,8 +224,19 @@ subroutine constitutive_j2_init(fileUnit) select case(IO_lc(IO_stringValue(line,positions,2_pInt))) case ('flowstress') constitutive_j2_outputID(constitutive_j2_Noutput(instance),instance) = flowstress_ID +#ifdef HDF + call HDF5_addScalarDataset(outID(instance),a,'flowstress','MPa') + allocate(constitutive_j2_Output2(instance)%flowstress(a)) + constitutive_j2_Output2(instance)%flowstressActive = .true. +#endif case ('strainrate') constitutive_j2_outputID(constitutive_j2_Noutput(instance),instance) = strainrate_ID +#ifdef HDF + call HDF5_addScalarDataset(outID(instance),a,'strainrate','1/s') + allocate(constitutive_j2_Output2(instance)%strainrate(a)) + constitutive_j2_Output2(instance)%strainrateActive = .true. +#endif + case default call IO_error(105_pInt,ext_msg=IO_stringValue(line,positions,2_pInt)//' ('//PLASTICITY_J2_label//')') end select @@ -228,28 +283,30 @@ subroutine constitutive_j2_init(fileUnit) case default call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_J2_label//')') end select - endif; endif + endif enddo parsingFile - instancesLoop: do instance = 1_pInt,maxNinstance - outputsLoop: do o = 1_pInt,constitutive_j2_Noutput(instance) - select case(constitutive_j2_outputID(o,instance)) - case(flowstress_ID,strainrate_ID) - mySize = 1_pInt - case default - end select + initializeInstances: do phase = 1_pInt, size(phase_plasticity) + if (phase_plasticity(phase) == PLASTICITY_j2_ID .and. count(material_phase==phase)/=0) then + outputsLoop: do o = 1_pInt,constitutive_j2_Noutput(instance) + select case(constitutive_j2_outputID(o,instance)) + case(flowstress_ID,strainrate_ID) + mySize = 1_pInt + case default + end select - if (mySize > 0_pInt) then ! any meaningful output found - constitutive_j2_sizePostResult(o,instance) = mySize - constitutive_j2_sizePostResults(instance) = & - constitutive_j2_sizePostResults(instance) + mySize - endif - enddo outputsLoop - enddo instancesLoop + if (mySize > 0_pInt) then ! any meaningful output found + constitutive_j2_sizePostResult(o,instance) = mySize + constitutive_j2_sizePostResults(instance) = & + constitutive_j2_sizePostResults(instance) + mySize + endif + enddo outputsLoop + endif + enddo initializeInstances end subroutine constitutive_j2_init - +! probably not needed for new state !-------------------------------------------------------------------------------------------------- !> @brief sets the initial microstructural state for a given instance of this plasticity !> @details initial microstructural state is set to the value specified by tau0 @@ -262,6 +319,7 @@ pure function constitutive_j2_stateInit(instance) constitutive_j2_stateInit = constitutive_j2_tau0(instance) + end function constitutive_j2_stateInit @@ -439,7 +497,56 @@ pure function constitutive_j2_dotState(Tstar_v,state,ipc,ip,el) end function constitutive_j2_dotState +#ifdef HDF +subroutine constitutive_j2_postResults2(Tstar_v,state,ipc,ip,el,offset) + use prec, only: & + p_vec + use material, only: & + material_phase, & + phase_plasticityInstance + use math, only: & + math_mul6x6 + implicit none + real(pReal), dimension(6), intent(in) :: & + Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation + integer(pInt), intent(in) :: & + ipc, & !< component-ID of integration point + ip, & !< integration point + el, & + offset !< element + type(p_vec), intent(in) :: & + state + !< microstructure state + real(pReal), dimension(6) :: & + Tstar_dev_v ! deviatoric part of the 2nd Piola Kirchhoff stress tensor in Mandel notation + real(pReal) :: & + norm_Tstar_dev ! euclidean norm of Tstar_dev + integer(pInt) :: & + instance + + + instance = phase_plasticityInstance(material_phase(ipc,ip,el)) + +!-------------------------------------------------------------------------------------------------- +! calculate deviatoric part of 2nd Piola-Kirchhoff stress and its norm + Tstar_dev_v(1:3) = Tstar_v(1:3) - sum(Tstar_v(1:3))/3.0_pReal + Tstar_dev_v(4:6) = Tstar_v(4:6) + norm_Tstar_dev = sqrt(math_mul6x6(Tstar_dev_v,Tstar_dev_v)) + + + if(constitutive_j2_Output2(instance)%flowstressActive) & + constitutive_j2_Output2(instance)%flowstress(offset) =state%p(1) + if(constitutive_j2_Output2(instance)%strainrateActive) then + constitutive_j2_Output2(instance)%strainrate(offset)= & + constitutive_j2_gdot0(instance) * ( sqrt(1.5_pReal) * norm_Tstar_dev & + / &!---------------------------------------------------------------------------------- + (constitutive_j2_fTaylor(instance) * state%p(1)) ) ** constitutive_j2_n(instance) + endif + +end subroutine constitutive_j2_postResults2 + +#endif !-------------------------------------------------------------------------------------------------- !> @brief return array of constitutive results !-------------------------------------------------------------------------------------------------- @@ -506,4 +613,5 @@ pure function constitutive_j2_postResults(Tstar_v,state,ipc,ip,el) end function constitutive_j2_postResults + end module constitutive_j2