!-------------------------------------------------------------------------------------------------- !> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH !> @brief material subroutine incorporating kinematics resulting from interstitial hydrogen !> @details to be done !-------------------------------------------------------------------------------------------------- module kinematics_hydrogen_strain use prec, only: & pReal, & pInt implicit none private integer(pInt), dimension(:), allocatable, public, protected :: & kinematics_hydrogen_strain_sizePostResults, & !< cumulative size of post results kinematics_hydrogen_strain_offset, & !< which kinematics is my current damage mechanism? kinematics_hydrogen_strain_instance !< instance of damage kinematics mechanism integer(pInt), dimension(:,:), allocatable, target, public :: & kinematics_hydrogen_strain_sizePostResult !< size of each post result output character(len=64), dimension(:,:), allocatable, target, public :: & kinematics_hydrogen_strain_output !< name of each post result output integer(pInt), dimension(:), allocatable, target, public :: & kinematics_hydrogen_strain_Noutput !< number of outputs per instance of this damage real(pReal), dimension(:), allocatable, private :: & kinematics_hydrogen_strain_coeff public :: & kinematics_hydrogen_strain_init, & kinematics_hydrogen_strain_initialStrain, & kinematics_hydrogen_strain_LiAndItsTangent, & kinematics_hydrogen_strain_ChemPotAndItsTangent contains !-------------------------------------------------------------------------------------------------- !> @brief module initialization !> @details reads in material parameters, allocates arrays, and does sanity checks !-------------------------------------------------------------------------------------------------- subroutine kinematics_hydrogen_strain_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: & debug_level,& debug_constitutive,& debug_levelBasic 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: & phase_kinematics, & phase_Nkinematics, & phase_Noutput, & KINEMATICS_hydrogen_strain_label, & KINEMATICS_hydrogen_strain_ID, & material_Nphase, & MATERIAL_partPhase use numerics,only: & worldrank implicit none integer(pInt), intent(in) :: fileUnit integer(pInt), allocatable, dimension(:) :: chunkPos integer(pInt) :: maxNinstance,phase,instance,kinematics character(len=65536) :: & tag = '', & line = '' mainProcess: if (worldrank == 0) then write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_hydrogen_strain_LABEL//' init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" endif mainProcess maxNinstance = int(count(phase_kinematics == KINEMATICS_hydrogen_strain_ID),pInt) if (maxNinstance == 0_pInt) return if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance allocate(kinematics_hydrogen_strain_offset(material_Nphase), source=0_pInt) allocate(kinematics_hydrogen_strain_instance(material_Nphase), source=0_pInt) do phase = 1, material_Nphase kinematics_hydrogen_strain_instance(phase) = count(phase_kinematics(:,1:phase) == kinematics_hydrogen_strain_ID) do kinematics = 1, phase_Nkinematics(phase) if (phase_kinematics(kinematics,phase) == kinematics_hydrogen_strain_ID) & kinematics_hydrogen_strain_offset(phase) = kinematics enddo enddo allocate(kinematics_hydrogen_strain_sizePostResults(maxNinstance), source=0_pInt) allocate(kinematics_hydrogen_strain_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt) allocate(kinematics_hydrogen_strain_output(maxval(phase_Noutput),maxNinstance)) kinematics_hydrogen_strain_output = '' allocate(kinematics_hydrogen_strain_Noutput(maxNinstance), source=0_pInt) allocate(kinematics_hydrogen_strain_coeff(maxNinstance), source=0.0_pReal) rewind(fileUnit) phase = 0_pInt do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= MATERIAL_partPhase) ! wind forward to line = IO_read(fileUnit) enddo 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 line = IO_read(fileUnit, .true.) ! reset IO_read exit endif if (IO_getTag(line,'[',']') /= '') then ! next phase section phase = phase + 1_pInt ! advance phase section counter cycle ! skip to next line endif if (phase > 0_pInt ) then; if (any(phase_kinematics(:,phase) == KINEMATICS_hydrogen_strain_ID)) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran instance = kinematics_hydrogen_strain_instance(phase) ! which instance of my damage is present phase chunkPos = IO_stringPos(line) tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key select case(tag) case ('hydrogen_strain_coeff') kinematics_hydrogen_strain_coeff(instance) = IO_floatValue(line,chunkPos,2_pInt) end select endif; endif enddo parsingFile end subroutine kinematics_hydrogen_strain_init !-------------------------------------------------------------------------------------------------- !> @brief report initial hydrogen strain based on current hydrogen conc deviation from !> equillibrium (0) !-------------------------------------------------------------------------------------------------- pure function kinematics_hydrogen_strain_initialStrain(ipc, ip, el) use math, only: & math_I3 use material, only: & material_phase, & material_homog, & hydrogenConc, & hydrogenfluxMapping use lattice, only: & lattice_equilibriumHydrogenConcentration implicit none integer(pInt), intent(in) :: & ipc, & !< grain number ip, & !< integration point number el !< element number real(pReal), dimension(3,3) :: & kinematics_hydrogen_strain_initialStrain !< initial thermal strain (should be small strain, though) integer(pInt) :: & phase, & homog, offset, instance phase = material_phase(ipc,ip,el) instance = kinematics_hydrogen_strain_instance(phase) homog = material_homog(ip,el) offset = hydrogenfluxMapping(homog)%p(ip,el) kinematics_hydrogen_strain_initialStrain = & (hydrogenConc(homog)%p(offset) - lattice_equilibriumHydrogenConcentration(phase)) * & kinematics_hydrogen_strain_coeff(instance)* math_I3 end function kinematics_hydrogen_strain_initialStrain !-------------------------------------------------------------------------------------------------- !> @brief contains the constitutive equation for calculating the velocity gradient !-------------------------------------------------------------------------------------------------- subroutine kinematics_hydrogen_strain_LiAndItsTangent(Li, dLi_dTstar3333, ipc, ip, el) use material, only: & material_phase, & material_homog, & hydrogenConc, & hydrogenConcRate, & hydrogenfluxMapping use math, only: & math_I3 use lattice, only: & lattice_equilibriumHydrogenConcentration implicit none integer(pInt), intent(in) :: & ipc, & !< grain number ip, & !< integration point number el !< element number real(pReal), intent(out), dimension(3,3) :: & Li !< thermal velocity gradient real(pReal), intent(out), dimension(3,3,3,3) :: & dLi_dTstar3333 !< derivative of Li with respect to Tstar (4th-order tensor) integer(pInt) :: & phase, & instance, & homog, offset real(pReal) :: & Ch, ChEq, ChDot phase = material_phase(ipc,ip,el) instance = kinematics_hydrogen_strain_instance(phase) homog = material_homog(ip,el) offset = hydrogenfluxMapping(homog)%p(ip,el) Ch = hydrogenConc(homog)%p(offset) ChDot = hydrogenConcRate(homog)%p(offset) ChEq = lattice_equilibriumHydrogenConcentration(phase) Li = ChDot*math_I3* & kinematics_hydrogen_strain_coeff(instance)/ & (1.0_pReal + kinematics_hydrogen_strain_coeff(instance)*(Ch - ChEq)) dLi_dTstar3333 = 0.0_pReal end subroutine kinematics_hydrogen_strain_LiAndItsTangent !-------------------------------------------------------------------------------------------------- !> @brief contains the kinematic contribution to hydrogen chemical potential !-------------------------------------------------------------------------------------------------- subroutine kinematics_hydrogen_strain_ChemPotAndItsTangent(ChemPot, dChemPot_dCh, Tstar_v, Fi0, Fi, ipc, ip, el) use material, only: & material_phase use math, only: & math_inv33, & math_mul33x33, & math_Mandel6to33, & math_transpose33 implicit none integer(pInt), intent(in) :: & ipc, & !< grain number ip, & !< integration point number el !< element number real(pReal), intent(in), dimension(6) :: & Tstar_v real(pReal), intent(in), dimension(3,3) :: & Fi0, Fi real(pReal), intent(out) :: & ChemPot, dChemPot_dCh integer(pInt) :: & phase, & instance phase = material_phase(ipc,ip,el) instance = kinematics_hydrogen_strain_instance(phase) ChemPot = -kinematics_hydrogen_strain_coeff(instance)* & sum(math_mul33x33(Fi,math_Mandel6to33(Tstar_v))* & math_mul33x33(math_mul33x33(Fi,math_inv33(Fi0)),Fi)) dChemPot_dCh = 0.0_pReal end subroutine kinematics_hydrogen_strain_ChemPotAndItsTangent end module kinematics_hydrogen_strain