!-------------------------------------------------------------------------------------------------- !> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH !> @brief material subroutine for phase field modelling of pore nucleation and growth !> @details phase field model for pore nucleation and growth based on vacancy clustering !-------------------------------------------------------------------------------------------------- module porosity_phasefield use prec, only: & pReal, & pInt implicit none private integer(pInt), dimension(:), allocatable, public, protected :: & porosity_phasefield_sizePostResults !< cumulative size of post results integer(pInt), dimension(:,:), allocatable, target, public :: & porosity_phasefield_sizePostResult !< size of each post result output character(len=64), dimension(:,:), allocatable, target, public :: & porosity_phasefield_output !< name of each post result output integer(pInt), dimension(:), allocatable, target, public :: & porosity_phasefield_Noutput !< number of outputs per instance of this porosity enum, bind(c) enumerator :: undefined_ID, & porosity_ID end enum integer(kind(undefined_ID)), dimension(:,:), allocatable, private :: & porosity_phasefield_outputID !< ID of each post result output public :: & porosity_phasefield_init, & porosity_phasefield_getFormationEnergy, & porosity_phasefield_getSurfaceEnergy, & porosity_phasefield_getSourceAndItsTangent, & porosity_phasefield_getDiffusion33, & porosity_phasefield_getMobility, & porosity_phasefield_putPorosity, & porosity_phasefield_postResults contains !-------------------------------------------------------------------------------------------------- !> @brief module initialization !> @details reads in material parameters, allocates arrays, and does sanity checks !-------------------------------------------------------------------------------------------------- subroutine porosity_phasefield_init(fileUnit) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use IO, only: & IO_read, & IO_lc, & IO_getTag, & IO_isBlank, & IO_stringPos, & IO_stringValue, & IO_floatValue, & IO_intValue, & IO_warning, & IO_error, & IO_timeStamp, & IO_EOF use material, only: & porosity_type, & porosity_typeInstance, & homogenization_Noutput, & POROSITY_phasefield_label, & POROSITY_phasefield_ID, & material_homog, & mappingHomogenization, & porosityState, & porosityMapping, & porosity, & porosity_initialPhi, & material_partHomogenization, & material_partPhase use numerics,only: & worldrank implicit none integer(pInt), intent(in) :: fileUnit integer(pInt), allocatable, dimension(:) :: chunkPos integer(pInt) :: maxNinstance,mySize=0_pInt,section,instance,o integer(pInt) :: sizeState integer(pInt) :: NofMyHomog character(len=65536) :: & tag = '', & line = '' mainProcess: if (worldrank == 0) then write(6,'(/,a)') ' <<<+- porosity_'//POROSITY_phasefield_label//' init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" endif mainProcess maxNinstance = int(count(porosity_type == POROSITY_phasefield_ID),pInt) if (maxNinstance == 0_pInt) return allocate(porosity_phasefield_sizePostResults(maxNinstance), source=0_pInt) allocate(porosity_phasefield_sizePostResult (maxval(homogenization_Noutput),maxNinstance),source=0_pInt) allocate(porosity_phasefield_output (maxval(homogenization_Noutput),maxNinstance)) porosity_phasefield_output = '' allocate(porosity_phasefield_outputID (maxval(homogenization_Noutput),maxNinstance),source=undefined_ID) allocate(porosity_phasefield_Noutput (maxNinstance), source=0_pInt) rewind(fileUnit) section = 0_pInt do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partHomogenization)! wind forward to line = IO_read(fileUnit) enddo parsingHomog: do while (trim(line) /= IO_EOF) ! read through sections of homog part line = IO_read(fileUnit) if (IO_isBlank(line)) cycle ! skip empty lines if (IO_getTag(line,'<','>') /= '') then ! stop at next part line = IO_read(fileUnit, .true.) ! reset IO_read exit endif if (IO_getTag(line,'[',']') /= '') then ! next homog section section = section + 1_pInt ! advance homog section counter cycle ! skip to next line endif if (section > 0_pInt ) then; if (porosity_type(section) == POROSITY_phasefield_ID) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran instance = porosity_typeInstance(section) ! which instance of my porosity is present homog chunkPos = IO_stringPos(line) tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key select case(tag) case ('(output)') select case(IO_lc(IO_stringValue(line,chunkPos,2_pInt))) case ('porosity') porosity_phasefield_Noutput(instance) = porosity_phasefield_Noutput(instance) + 1_pInt porosity_phasefield_outputID(porosity_phasefield_Noutput(instance),instance) = porosity_ID porosity_phasefield_output(porosity_phasefield_Noutput(instance),instance) = & IO_lc(IO_stringValue(line,chunkPos,2_pInt)) end select end select endif; endif enddo parsingHomog initializeInstances: do section = 1_pInt, size(porosity_type) if (porosity_type(section) == POROSITY_phasefield_ID) then NofMyHomog=count(material_homog==section) instance = porosity_typeInstance(section) !-------------------------------------------------------------------------------------------------- ! Determine size of postResults array outputsLoop: do o = 1_pInt,porosity_phasefield_Noutput(instance) select case(porosity_phasefield_outputID(o,instance)) case(porosity_ID) mySize = 1_pInt end select if (mySize > 0_pInt) then ! any meaningful output found porosity_phasefield_sizePostResult(o,instance) = mySize porosity_phasefield_sizePostResults(instance) = porosity_phasefield_sizePostResults(instance) + mySize endif enddo outputsLoop ! allocate state arrays sizeState = 0_pInt porosityState(section)%sizeState = sizeState porosityState(section)%sizePostResults = porosity_phasefield_sizePostResults(instance) allocate(porosityState(section)%state0 (sizeState,NofMyHomog)) allocate(porosityState(section)%subState0(sizeState,NofMyHomog)) allocate(porosityState(section)%state (sizeState,NofMyHomog)) nullify(porosityMapping(section)%p) porosityMapping(section)%p => mappingHomogenization(1,:,:) deallocate(porosity(section)%p) allocate(porosity(section)%p(NofMyHomog), source=porosity_initialPhi(section)) endif enddo initializeInstances end subroutine porosity_phasefield_init !-------------------------------------------------------------------------------------------------- !> @brief returns homogenized vacancy formation energy !-------------------------------------------------------------------------------------------------- function porosity_phasefield_getFormationEnergy(ip,el) use lattice, only: & lattice_vacancyFormationEnergy, & lattice_vacancyVol use material, only: & homogenization_Ngrains, & material_phase use mesh, only: & mesh_element implicit none integer(pInt), intent(in) :: & ip, & !< integration point number el !< element number real(pReal) :: & porosity_phasefield_getFormationEnergy integer(pInt) :: & grain porosity_phasefield_getFormationEnergy = 0.0_pReal do grain = 1, homogenization_Ngrains(mesh_element(3,el)) porosity_phasefield_getFormationEnergy = porosity_phasefield_getFormationEnergy + & lattice_vacancyFormationEnergy(material_phase(grain,ip,el))/ & lattice_vacancyVol(material_phase(grain,ip,el)) enddo porosity_phasefield_getFormationEnergy = & porosity_phasefield_getFormationEnergy/real(homogenization_Ngrains(mesh_element(3,el)),pReal) end function porosity_phasefield_getFormationEnergy !-------------------------------------------------------------------------------------------------- !> @brief returns homogenized pore surface energy (normalized by characteristic length) !-------------------------------------------------------------------------------------------------- function porosity_phasefield_getSurfaceEnergy(ip,el) use lattice, only: & lattice_vacancySurfaceEnergy use material, only: & homogenization_Ngrains, & material_phase use mesh, only: & mesh_element implicit none integer(pInt), intent(in) :: & ip, & !< integration point number el !< element number real(pReal) :: & porosity_phasefield_getSurfaceEnergy integer(pInt) :: & grain porosity_phasefield_getSurfaceEnergy = 0.0_pReal do grain = 1, homogenization_Ngrains(mesh_element(3,el)) porosity_phasefield_getSurfaceEnergy = porosity_phasefield_getSurfaceEnergy + & lattice_vacancySurfaceEnergy(material_phase(grain,ip,el)) enddo porosity_phasefield_getSurfaceEnergy = & porosity_phasefield_getSurfaceEnergy/real(homogenization_Ngrains(mesh_element(3,el)),pReal) end function porosity_phasefield_getSurfaceEnergy !-------------------------------------------------------------------------------------------------- !> @brief calculates homogenized local driving force for pore nucleation and growth !-------------------------------------------------------------------------------------------------- subroutine porosity_phasefield_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip, el) use math, only : & math_mul33x33, & math_mul66x6, & math_Mandel33to6, & math_transpose33, & math_I3 use material, only: & homogenization_Ngrains, & material_homog, & material_phase, & phase_NstiffnessDegradations, & phase_stiffnessDegradation, & vacancyConc, & vacancyfluxMapping, & damage, & damageMapping, & STIFFNESS_DEGRADATION_damage_ID use crystallite, only: & crystallite_Fe use constitutive, only: & constitutive_homogenizedC implicit none integer(pInt), intent(in) :: & ip, & !< integration point number el !< element number real(pReal), intent(in) :: & phi integer(pInt) :: & phase, & grain, & homog, & mech real(pReal) :: & phiDot, dPhiDot_dPhi, Cv, W_e, strain(6), C(6,6) homog = material_homog(ip,el) Cv = vacancyConc(homog)%p(vacancyfluxMapping(homog)%p(ip,el)) W_e = 0.0_pReal do grain = 1, homogenization_Ngrains(homog) phase = material_phase(grain,ip,el) strain = math_Mandel33to6(math_mul33x33(math_transpose33(crystallite_Fe(1:3,1:3,grain,ip,el)), & crystallite_Fe(1:3,1:3,grain,ip,el)) - math_I3)/2.0_pReal C = constitutive_homogenizedC(grain,ip,el) do mech = 1_pInt, phase_NstiffnessDegradations(phase) select case(phase_stiffnessDegradation(mech,phase)) case (STIFFNESS_DEGRADATION_damage_ID) C = damage(homog)%p(damageMapping(homog)%p(ip,el))* & damage(homog)%p(damageMapping(homog)%p(ip,el))* & C end select enddo W_e = W_e + sum(abs(strain*math_mul66x6(C,strain))) enddo W_e = W_e/real(homogenization_Ngrains(homog),pReal) phiDot = 2.0_pReal*(1.0_pReal - phi)*(1.0_pReal - Cv)*(1.0_pReal - Cv) - & 2.0_pReal*phi*(W_e + Cv*porosity_phasefield_getFormationEnergy(ip,el))/ & porosity_phasefield_getSurfaceEnergy (ip,el) dPhiDot_dPhi = - 2.0_pReal*(1.0_pReal - Cv)*(1.0_pReal - Cv) & - 2.0_pReal*(W_e + Cv*porosity_phasefield_getFormationEnergy(ip,el))/ & porosity_phasefield_getSurfaceEnergy (ip,el) end subroutine porosity_phasefield_getSourceAndItsTangent !-------------------------------------------------------------------------------------------------- !> @brief returns homogenized nonlocal diffusion tensor in reference configuration !-------------------------------------------------------------------------------------------------- function porosity_phasefield_getDiffusion33(ip,el) use lattice, only: & lattice_PorosityDiffusion33 use material, only: & homogenization_Ngrains, & material_phase, & mappingHomogenization use crystallite, only: & crystallite_push33ToRef implicit none integer(pInt), intent(in) :: & ip, & !< integration point number el !< element number real(pReal), dimension(3,3) :: & porosity_phasefield_getDiffusion33 integer(pInt) :: & homog, & grain homog = mappingHomogenization(2,ip,el) porosity_phasefield_getDiffusion33 = 0.0_pReal do grain = 1, homogenization_Ngrains(homog) porosity_phasefield_getDiffusion33 = porosity_phasefield_getDiffusion33 + & crystallite_push33ToRef(grain,ip,el,lattice_PorosityDiffusion33(1:3,1:3,material_phase(grain,ip,el))) enddo porosity_phasefield_getDiffusion33 = & porosity_phasefield_getDiffusion33/real(homogenization_Ngrains(homog),pReal) end function porosity_phasefield_getDiffusion33 !-------------------------------------------------------------------------------------------------- !> @brief Returns homogenized phase field mobility !-------------------------------------------------------------------------------------------------- real(pReal) function porosity_phasefield_getMobility(ip,el) use mesh, only: & mesh_element use lattice, only: & lattice_PorosityMobility use material, only: & material_phase, & homogenization_Ngrains implicit none integer(pInt), intent(in) :: & ip, & !< integration point number el !< element number integer(pInt) :: & ipc porosity_phasefield_getMobility = 0.0_pReal do ipc = 1, homogenization_Ngrains(mesh_element(3,el)) porosity_phasefield_getMobility = porosity_phasefield_getMobility & + lattice_PorosityMobility(material_phase(ipc,ip,el)) enddo porosity_phasefield_getMobility = & porosity_phasefield_getMobility/real(homogenization_Ngrains(mesh_element(3,el)),pReal) end function porosity_phasefield_getMobility !-------------------------------------------------------------------------------------------------- !> @brief updates porosity with solution from phasefield PDE !-------------------------------------------------------------------------------------------------- subroutine porosity_phasefield_putPorosity(phi,ip,el) use material, only: & material_homog, & porosityMapping, & porosity implicit none integer(pInt), intent(in) :: & ip, & !< integration point number el !< element number real(pReal), intent(in) :: & phi integer(pInt) :: & homog, & offset homog = material_homog(ip,el) offset = porosityMapping(homog)%p(ip,el) porosity(homog)%p(offset) = phi end subroutine porosity_phasefield_putPorosity !-------------------------------------------------------------------------------------------------- !> @brief return array of porosity results !-------------------------------------------------------------------------------------------------- function porosity_phasefield_postResults(ip,el) use material, only: & mappingHomogenization, & porosity_typeInstance, & porosity implicit none integer(pInt), intent(in) :: & ip, & !< integration point el !< element real(pReal), dimension(porosity_phasefield_sizePostResults(porosity_typeInstance(mappingHomogenization(2,ip,el)))) :: & porosity_phasefield_postResults integer(pInt) :: & instance, homog, offset, o, c homog = mappingHomogenization(2,ip,el) offset = mappingHomogenization(1,ip,el) instance = porosity_typeInstance(homog) c = 0_pInt porosity_phasefield_postResults = 0.0_pReal do o = 1_pInt,porosity_phasefield_Noutput(instance) select case(porosity_phasefield_outputID(o,instance)) case (porosity_ID) porosity_phasefield_postResults(c+1_pInt) = porosity(homog)%p(offset) c = c + 1 end select enddo end function porosity_phasefield_postResults end module porosity_phasefield