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moved reading in of lattice type and elastic constants to lattice module 

removed structure type for hex, fcc, bcc, now defining slip/twin systems for each phase found in material.config
constitutive modules will only be initialized if needed
homogenizedC function is only needed for models incorporating twinning in a physical way (titanmod and dislotwin)
This commit is contained in:
Martin Diehl 2014-03-08 20:50:31 +00:00
parent 3b20f1154e
commit 2b589c3d71
9 changed files with 2510 additions and 3113 deletions
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45
code/constitutive.f90
View File

@ -154,12 +154,12 @@ subroutine constitutive_init
! parse plasticities from config file ! parse plasticities from config file
if (.not. IO_open_jobFile_stat(FILEUNIT,material_localFileExt)) & ! no local material configuration present... if (.not. IO_open_jobFile_stat(FILEUNIT,material_localFileExt)) & ! no local material configuration present...
call IO_open_file(FILEUNIT,material_configFile) ! ... open material.config file call IO_open_file(FILEUNIT,material_configFile) ! ... open material.config file
call constitutive_none_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_NONE_ID)) call constitutive_none_init(FILEUNIT)
call constitutive_j2_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_J2_ID)) call constitutive_j2_init(FILEUNIT)
call constitutive_phenopowerlaw_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID)) call constitutive_phenopowerlaw_init(FILEUNIT)
call constitutive_titanmod_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_TITANMOD_ID)) call constitutive_titanmod_init(FILEUNIT)
call constitutive_dislotwin_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_DISLOTWIN_ID)) call constitutive_dislotwin_init(FILEUNIT)
call constitutive_nonlocal_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_NONLOCAL_ID)) call constitutive_nonlocal_init(FILEUNIT)
close(FILEUNIT) close(FILEUNIT)
write(6,'(/,a)') ' <<<+- constitutive init -+>>>' write(6,'(/,a)') ' <<<+- constitutive init -+>>>'
@ -352,7 +352,7 @@ subroutine constitutive_init
allocate(constitutive_RKCK45dotState(s,g,i,e)%p(constitutive_dislotwin_sizeDotState(instance))) allocate(constitutive_RKCK45dotState(s,g,i,e)%p(constitutive_dislotwin_sizeDotState(instance)))
enddo enddo
endif endif
constitutive_state0(g,i,e)%p = constitutive_dislotwin_stateInit(instance) constitutive_state0(g,i,e)%p = constitutive_dislotwin_stateInit(instance,material_phase(g,i,e))
constitutive_aTolState(g,i,e)%p = constitutive_dislotwin_aTolState(instance) constitutive_aTolState(g,i,e)%p = constitutive_dislotwin_aTolState(instance)
constitutive_sizeState(g,i,e) = constitutive_dislotwin_sizeState(instance) constitutive_sizeState(g,i,e) = constitutive_dislotwin_sizeState(instance)
constitutive_sizeDotState(g,i,e) = constitutive_dislotwin_sizeDotState(instance) constitutive_sizeDotState(g,i,e) = constitutive_dislotwin_sizeDotState(instance)
@ -379,7 +379,7 @@ subroutine constitutive_init
allocate(constitutive_RKCK45dotState(s,g,i,e)%p(constitutive_titanmod_sizeDotState(instance))) allocate(constitutive_RKCK45dotState(s,g,i,e)%p(constitutive_titanmod_sizeDotState(instance)))
enddo enddo
endif endif
constitutive_state0(g,i,e)%p = constitutive_titanmod_stateInit(instance) constitutive_state0(g,i,e)%p = constitutive_titanmod_stateInit(instance,material_phase(g,i,e))
constitutive_aTolState(g,i,e)%p = constitutive_titanmod_aTolState(instance) constitutive_aTolState(g,i,e)%p = constitutive_titanmod_aTolState(instance)
constitutive_sizeState(g,i,e) = constitutive_titanmod_sizeState(instance) constitutive_sizeState(g,i,e) = constitutive_titanmod_sizeState(instance)
constitutive_sizeDotState(g,i,e) = constitutive_titanmod_sizeDotState(instance) constitutive_sizeDotState(g,i,e) = constitutive_titanmod_sizeDotState(instance)
@ -465,24 +465,14 @@ pure function constitutive_homogenizedC(ipc,ip,el)
use material, only: & use material, only: &
phase_plasticity, & phase_plasticity, &
material_phase, & material_phase, &
PLASTICITY_NONE_ID, &
PLASTICITY_J2_ID, &
PLASTICITY_PHENOPOWERLAW_ID, &
PLASTICITY_DISLOTWIN_ID, &
PLASTICITY_TITANMOD_ID, & PLASTICITY_TITANMOD_ID, &
PLASTICITY_NONLOCAL_ID PLASTICITY_DISLOTWIN_ID
use constitutive_none, only: &
constitutive_none_homogenizedC
use constitutive_j2, only: &
constitutive_j2_homogenizedC
use constitutive_phenopowerlaw, only: &
constitutive_phenopowerlaw_homogenizedC
use constitutive_dislotwin, only: & use constitutive_dislotwin, only: &
constitutive_dislotwin_homogenizedC constitutive_dislotwin_homogenizedC
use constitutive_titanmod, only: & use constitutive_titanmod, only: &
constitutive_titanmod_homogenizedC constitutive_titanmod_homogenizedC
use constitutive_nonlocal, only: & use lattice, only: &
constitutive_nonlocal_homogenizedC lattice_C66
implicit none implicit none
real(pReal), dimension(6,6) :: constitutive_homogenizedC real(pReal), dimension(6,6) :: constitutive_homogenizedC
@ -493,23 +483,14 @@ pure function constitutive_homogenizedC(ipc,ip,el)
select case (phase_plasticity(material_phase(ipc,ip,el))) select case (phase_plasticity(material_phase(ipc,ip,el)))
case (PLASTICITY_NONE_ID)
constitutive_homogenizedC = constitutive_none_homogenizedC(ipc,ip,el)
case (PLASTICITY_J2_ID)
constitutive_homogenizedC = constitutive_j2_homogenizedC(ipc,ip,el)
case (PLASTICITY_PHENOPOWERLAW_ID)
constitutive_homogenizedC = constitutive_phenopowerlaw_homogenizedC(ipc,ip,el)
case (PLASTICITY_DISLOTWIN_ID) case (PLASTICITY_DISLOTWIN_ID)
constitutive_homogenizedC = constitutive_dislotwin_homogenizedC(constitutive_state,ipc,ip,el) constitutive_homogenizedC = constitutive_dislotwin_homogenizedC(constitutive_state,ipc,ip,el)
case (PLASTICITY_TITANMOD_ID) case (PLASTICITY_TITANMOD_ID)
constitutive_homogenizedC = constitutive_titanmod_homogenizedC(constitutive_state,ipc,ip,el) constitutive_homogenizedC = constitutive_titanmod_homogenizedC(constitutive_state,ipc,ip,el)
case (PLASTICITY_NONLOCAL_ID) case default
constitutive_homogenizedC = constitutive_nonlocal_homogenizedC(ipc,ip,el) constitutive_homogenizedC = lattice_C66(1:6,1:6,material_phase(ipc,ip,el))
end select end select

361
code/constitutive_dislotwin.f90
View File

@ -28,8 +28,6 @@ module constitutive_dislotwin
use prec, only: & use prec, only: &
pReal, & pReal, &
pInt pInt
use lattice, only: &
LATTICE_undefined_ID
implicit none implicit none
private private
@ -38,9 +36,6 @@ module constitutive_dislotwin
constitutive_dislotwin_sizeState, & !< total number of microstructural state variables constitutive_dislotwin_sizeState, & !< total number of microstructural state variables
constitutive_dislotwin_sizePostResults !< cumulative size of post results constitutive_dislotwin_sizePostResults !< cumulative size of post results
integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public :: &
constitutive_dislotwin_structureID !< ID of the lattice structure
integer(pInt), dimension(:,:), allocatable, target, public :: & integer(pInt), dimension(:,:), allocatable, target, public :: &
constitutive_dislotwin_sizePostResult !< size of each post result output constitutive_dislotwin_sizePostResult !< size of each post result output
@ -70,7 +65,6 @@ module constitutive_dislotwin
constitutive_dislotwin_Noutput !< number of outputs per instance of this plasticity constitutive_dislotwin_Noutput !< number of outputs per instance of this plasticity
integer(pInt), dimension(:), allocatable, private :: & integer(pInt), dimension(:), allocatable, private :: &
constitutive_dislotwin_structure, & !< number representing the kind of lattice structure
constitutive_dislotwin_totalNslip, & !< total number of active slip systems for each instance constitutive_dislotwin_totalNslip, & !< total number of active slip systems for each instance
constitutive_dislotwin_totalNtwin !< total number of active twin systems for each instance constitutive_dislotwin_totalNtwin !< total number of active twin systems for each instance
@ -79,9 +73,6 @@ module constitutive_dislotwin
constitutive_dislotwin_Ntwin !< number of active twin systems for each family and instance constitutive_dislotwin_Ntwin !< number of active twin systems for each family and instance
real(pReal), dimension(:), allocatable, private :: & real(pReal), dimension(:), allocatable, private :: &
constitutive_dislotwin_CoverA, & !< c/a ratio for hex type lattice
constitutive_dislotwin_Gmod, & !< shear modulus
constitutive_dislotwin_nu, & !< poisson's ratio
constitutive_dislotwin_CAtomicVolume, & !< atomic volume in Bugers vector unit constitutive_dislotwin_CAtomicVolume, & !< atomic volume in Bugers vector unit
constitutive_dislotwin_D0, & !< prefactor for self-diffusion coefficient constitutive_dislotwin_D0, & !< prefactor for self-diffusion coefficient
constitutive_dislotwin_Qsd, & !< activation energy for dislocation climb constitutive_dislotwin_Qsd, & !< activation energy for dislocation climb
@ -105,15 +96,9 @@ module constitutive_dislotwin
constitutive_dislotwin_aTolRho, & !< absolute tolerance for integration of dislocation density constitutive_dislotwin_aTolRho, & !< absolute tolerance for integration of dislocation density
constitutive_dislotwin_aTolTwinFrac !< absolute tolerance for integration of twin volume fraction constitutive_dislotwin_aTolTwinFrac !< absolute tolerance for integration of twin volume fraction
real(pReal), dimension(:,:,:), allocatable, private :: &
constitutive_dislotwin_Cslip_66 !< elasticity matrix in Mandel notation for each instance
real(pReal), dimension(:,:,:,:), allocatable, private :: & real(pReal), dimension(:,:,:,:), allocatable, private :: &
constitutive_dislotwin_Ctwin_66 !< twin elasticity matrix in Mandel notation for each instance constitutive_dislotwin_Ctwin_66 !< twin elasticity matrix in Mandel notation for each instance
real(pReal), dimension(:,:,:,:,:), allocatable, private :: &
constitutive_dislotwin_Cslip_3333 !< elasticity matrix for each instance
real(pReal), dimension(:,:,:,:,:,:), allocatable, private :: & real(pReal), dimension(:,:,:,:,:,:), allocatable, private :: &
constitutive_dislotwin_Ctwin_3333 !< twin elasticity matrix for each instance constitutive_dislotwin_Ctwin_3333 !< twin elasticity matrix for each instance
@ -232,14 +217,11 @@ subroutine constitutive_dislotwin_init(fileUnit)
integer(pInt), parameter :: MAXNCHUNKS = LATTICE_maxNinteraction + 1_pInt integer(pInt), parameter :: MAXNCHUNKS = LATTICE_maxNinteraction + 1_pInt
integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions
integer(pInt), dimension(7) :: configNchunks integer(pInt) :: maxNinstance,mySize=0_pInt,phase,maxTotalNslip,maxTotalNtwin,&
integer(pInt) :: section = 0_pInt, maxNinstance,mySize=0_pInt,structID,maxTotalNslip,maxTotalNtwin,&
f,instance,j,k,l,m,n,o,p,q,r,s,ns,nt, & f,instance,j,k,l,m,n,o,p,q,r,s,ns,nt, &
Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, & Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, &
Nchunks_SlipFamilies, Nchunks_TwinFamilies, & Nchunks_SlipFamilies, Nchunks_TwinFamilies, &
index_myFamily, index_otherFamily index_myFamily, index_otherFamily
character(len=32) :: &
structure = ''
character(len=65536) :: & character(len=65536) :: &
tag = '', & tag = '', &
line = '' line = ''
@ -255,14 +237,6 @@ subroutine constitutive_dislotwin_init(fileUnit)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) &
write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance
Nchunks_SlipFamilies = lattice_maxNslipFamily
Nchunks_TwinFamilies = lattice_maxNtwinFamily
Nchunks_SlipSlip = lattice_maxNinteraction
Nchunks_SlipTwin = lattice_maxNinteraction
Nchunks_TwinSlip = lattice_maxNinteraction
Nchunks_TwinTwin = lattice_maxNinteraction
!* Space allocation for global variables
allocate(constitutive_dislotwin_sizeDotState(maxNinstance), source=0_pInt) allocate(constitutive_dislotwin_sizeDotState(maxNinstance), source=0_pInt)
allocate(constitutive_dislotwin_sizeState(maxNinstance), source=0_pInt) allocate(constitutive_dislotwin_sizeState(maxNinstance), source=0_pInt)
allocate(constitutive_dislotwin_sizePostResults(maxNinstance), source=0_pInt) allocate(constitutive_dislotwin_sizePostResults(maxNinstance), source=0_pInt)
@ -271,15 +245,10 @@ subroutine constitutive_dislotwin_init(fileUnit)
constitutive_dislotwin_output = '' constitutive_dislotwin_output = ''
allocate(constitutive_dislotwin_outputID(maxval(phase_Noutput),maxNinstance), source=undefined_ID) allocate(constitutive_dislotwin_outputID(maxval(phase_Noutput),maxNinstance), source=undefined_ID)
allocate(constitutive_dislotwin_Noutput(maxNinstance), source=0_pInt) allocate(constitutive_dislotwin_Noutput(maxNinstance), source=0_pInt)
allocate(constitutive_dislotwin_structureID(maxNinstance), source=LATTICE_undefined_ID)
allocate(constitutive_dislotwin_structure(maxNinstance), source=0_pInt)
allocate(constitutive_dislotwin_Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt) allocate(constitutive_dislotwin_Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt)
allocate(constitutive_dislotwin_Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt) allocate(constitutive_dislotwin_Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt)
allocate(constitutive_dislotwin_totalNslip(maxNinstance), source=0_pInt) allocate(constitutive_dislotwin_totalNslip(maxNinstance), source=0_pInt)
allocate(constitutive_dislotwin_totalNtwin(maxNinstance), source=0_pInt) allocate(constitutive_dislotwin_totalNtwin(maxNinstance), source=0_pInt)
allocate(constitutive_dislotwin_CoverA(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_Gmod(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_nu(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_CAtomicVolume(maxNinstance), source=0.0_pReal) allocate(constitutive_dislotwin_CAtomicVolume(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_D0(maxNinstance), source=0.0_pReal) allocate(constitutive_dislotwin_D0(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_Qsd(maxNinstance), source=0.0_pReal) allocate(constitutive_dislotwin_Qsd(maxNinstance), source=0.0_pReal)
@ -297,8 +266,6 @@ subroutine constitutive_dislotwin_init(fileUnit)
allocate(constitutive_dislotwin_VcrossSlip(maxNinstance), source=0.0_pReal) allocate(constitutive_dislotwin_VcrossSlip(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_aTolRho(maxNinstance), source=0.0_pReal) allocate(constitutive_dislotwin_aTolRho(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_aTolTwinFrac(maxNinstance), source=0.0_pReal) allocate(constitutive_dislotwin_aTolTwinFrac(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_Cslip_66(6,6,maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_Cslip_3333(3,3,3,3,maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_sbResistance(maxNinstance), source=0.0_pReal) allocate(constitutive_dislotwin_sbResistance(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_sbVelocity(maxNinstance), source=0.0_pReal) allocate(constitutive_dislotwin_sbVelocity(maxNinstance), source=0.0_pReal)
allocate(constitutive_dislotwin_sbQedge(maxNinstance), source=0.0_pReal) allocate(constitutive_dislotwin_sbQedge(maxNinstance), source=0.0_pReal)
@ -333,28 +300,38 @@ subroutine constitutive_dislotwin_init(fileUnit)
rewind(fileUnit) rewind(fileUnit)
phase = 0_pInt
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= MATERIAL_partPhase) ! wind forward to <phase> do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= MATERIAL_partPhase) ! wind forward to <phase>
line = IO_read(fileUnit) line = IO_read(fileUnit)
enddo enddo
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) line = IO_read(fileUnit)
if (IO_isBlank(line)) cycle ! skip empty lines if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') then ! stop at next part if (IO_getTag(line,'<','>') /= '') then ! stop at next part
line = IO_read(fileUnit, .true.) ! reset IO_read line = IO_read(fileUnit, .true.) ! reset IO_read
exit exit
endif endif
if (IO_getTag(line,'[',']') /= '') then ! next section if (IO_getTag(line,'[',']') /= '') then ! next phase section
section = section + 1_pInt ! advance section counter phase = phase + 1_pInt ! advance phase section counter
if (phase_plasticity(phase) == PLASTICITY_DISLOTWIN_ID) then
Nchunks_SlipFamilies = count(lattice_NslipSystem(:,phase) > 0_pInt)
Nchunks_TwinFamilies = count(lattice_NtwinSystem(:,phase) > 0_pInt)
Nchunks_SlipSlip = maxval(lattice_interactionSlipSlip(:,:,phase))
Nchunks_SlipTwin = maxval(lattice_interactionSlipTwin(:,:,phase))
Nchunks_TwinSlip = maxval(lattice_interactionTwinSlip(:,:,phase))
Nchunks_TwinTwin = maxval(lattice_interactionTwinTwin(:,:,phase))
endif
cycle ! skip to next line cycle ! skip to next line
endif endif
if (section > 0_pInt ) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran if (phase > 0_pInt ) then; if (phase_plasticity(phase) == PLASTICITY_DISLOTWIN_ID) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran
if (phase_plasticity(section) == PLASTICITY_DISLOTWIN_ID) then ! one of my sections instance = phase_plasticityInstance(phase) ! which instance of my plasticity is present phase
instance = phase_plasticityInstance(section) ! which instance of my plasticity is present phase
positions = IO_stringPos(line,MAXNCHUNKS) positions = IO_stringPos(line,MAXNCHUNKS)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag) select case(tag)
case ('plasticity', 'elasticity') case ('plasticity','elasticity','lattice_structure', & ! already known
'covera_ratio','c/a_ratio','c/a', &
'c11','c12','c13','c22','c23','c33','c44','c55','c66')
cycle cycle
case ('(output)') case ('(output)')
constitutive_dislotwin_Noutput(instance) = constitutive_dislotwin_Noutput(instance) + 1_pInt constitutive_dislotwin_Noutput(instance) = constitutive_dislotwin_Noutput(instance) + 1_pInt
@ -400,47 +377,6 @@ subroutine constitutive_dislotwin_init(fileUnit)
case default case default
call IO_error(105_pInt,ext_msg=IO_stringValue(line,positions,2_pInt)//' ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(105_pInt,ext_msg=IO_stringValue(line,positions,2_pInt)//' ('//PLASTICITY_DISLOTWIN_label//')')
end select end select
case ('lattice_structure')
structure = IO_lc(IO_stringValue(line,positions,2_pInt))
select case(structure(1:3))
case(LATTICE_iso_label)
constitutive_dislotwin_structureID(instance) = LATTICE_iso_ID
case(LATTICE_fcc_label)
constitutive_dislotwin_structureID(instance) = LATTICE_fcc_ID
case(LATTICE_bcc_label)
constitutive_dislotwin_structureID(instance) = LATTICE_bcc_ID
case(LATTICE_hex_label)
constitutive_dislotwin_structureID(instance) = LATTICE_hex_ID
case(LATTICE_ort_label)
constitutive_dislotwin_structureID(instance) = LATTICE_ort_ID
end select
configNchunks = lattice_configNchunks(constitutive_dislotwin_structureID(instance))
Nchunks_SlipFamilies = configNchunks(1)
Nchunks_TwinFamilies = configNchunks(2)
Nchunks_SlipSlip = configNchunks(3)
Nchunks_SlipTwin = configNchunks(4)
Nchunks_TwinSlip = configNchunks(5)
Nchunks_TwinTwin = configNchunks(6)
case ('covera_ratio')
constitutive_dislotwin_CoverA(instance) = IO_floatValue(line,positions,2_pInt)
case ('c11')
constitutive_dislotwin_Cslip_66(1,1,instance) = IO_floatValue(line,positions,2_pInt)
case ('c12')
constitutive_dislotwin_Cslip_66(1,2,instance) = IO_floatValue(line,positions,2_pInt)
case ('c13')
constitutive_dislotwin_Cslip_66(1,3,instance) = IO_floatValue(line,positions,2_pInt)
case ('c22')
constitutive_dislotwin_Cslip_66(2,2,instance) = IO_floatValue(line,positions,2_pInt)
case ('c23')
constitutive_dislotwin_Cslip_66(2,3,instance) = IO_floatValue(line,positions,2_pInt)
case ('c33')
constitutive_dislotwin_Cslip_66(3,3,instance) = IO_floatValue(line,positions,2_pInt)
case ('c44')
constitutive_dislotwin_Cslip_66(4,4,instance) = IO_floatValue(line,positions,2_pInt)
case ('c55')
constitutive_dislotwin_Cslip_66(5,5,instance) = IO_floatValue(line,positions,2_pInt)
case ('c66')
constitutive_dislotwin_Cslip_66(6,6,instance) = IO_floatValue(line,positions,2_pInt)
case ('nslip') case ('nslip')
if (positions(1) < 1_pInt + Nchunks_SlipFamilies) & if (positions(1) < 1_pInt + Nchunks_SlipFamilies) &
call IO_warning(50_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') call IO_warning(50_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')')
@ -562,17 +498,12 @@ subroutine constitutive_dislotwin_init(fileUnit)
case default case default
call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')')
end select end select
endif endif; endif
endif enddo parsingFile
enddo
sanityChecks: do instance = 1_pInt,maxNinstance sanityChecks: do phase = 1_pInt, size(phase_plasticity)
constitutive_dislotwin_structure(instance) = & myPhase: if (phase_plasticity(phase) == PLASTICITY_dislotwin_ID) then
lattice_initializeStructure(constitutive_dislotwin_structureID(instance),constitutive_dislotwin_CoverA(instance)) instance = phase_plasticityInstance(phase)
structID = constitutive_dislotwin_structure(instance)
if (structID < 1_pInt) &
call IO_error(205_pInt,el=instance)
if (sum(constitutive_dislotwin_Nslip(:,instance)) < 0_pInt) & if (sum(constitutive_dislotwin_Nslip(:,instance)) < 0_pInt) &
call IO_error(211_pInt,el=instance,ext_msg='Nslip ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='Nslip ('//PLASTICITY_DISLOTWIN_label//')')
if (sum(constitutive_dislotwin_Ntwin(:,instance)) < 0_pInt) & if (sum(constitutive_dislotwin_Ntwin(:,instance)) < 0_pInt) &
@ -613,12 +544,13 @@ subroutine constitutive_dislotwin_init(fileUnit)
call IO_error(211_pInt,el=instance,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')')
if (constitutive_dislotwin_sbVelocity(instance) < 0.0_pReal) & if (constitutive_dislotwin_sbVelocity(instance) < 0.0_pReal) &
call IO_error(211_pInt,el=instance,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=instance,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')')
!--------------------------------------------------------------------------------------------------
!* Determine total number of active slip or twin systems ! Determine total number of active slip or twin systems
constitutive_dislotwin_Nslip(:,instance) = min(lattice_NslipSystem(:,structID),constitutive_dislotwin_Nslip(:,instance)) constitutive_dislotwin_Nslip(:,instance) = min(lattice_NslipSystem(:,phase),constitutive_dislotwin_Nslip(:,instance))
constitutive_dislotwin_Ntwin(:,instance) = min(lattice_NtwinSystem(:,structID),constitutive_dislotwin_Ntwin(:,instance)) constitutive_dislotwin_Ntwin(:,instance) = min(lattice_NtwinSystem(:,phase),constitutive_dislotwin_Ntwin(:,instance))
constitutive_dislotwin_totalNslip(instance) = sum(constitutive_dislotwin_Nslip(:,instance)) constitutive_dislotwin_totalNslip(instance) = sum(constitutive_dislotwin_Nslip(:,instance))
constitutive_dislotwin_totalNtwin(instance) = sum(constitutive_dislotwin_Ntwin(:,instance)) constitutive_dislotwin_totalNtwin(instance) = sum(constitutive_dislotwin_Ntwin(:,instance))
endif myPhase
enddo sanityChecks enddo sanityChecks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -645,24 +577,23 @@ subroutine constitutive_dislotwin_init(fileUnit)
source=0.0_pReal) source=0.0_pReal)
allocate(constitutive_dislotwin_forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNinstance), & allocate(constitutive_dislotwin_forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNinstance), &
source=0.0_pReal) source=0.0_pReal)
initializeInstances: do phase = 1_pInt, size(phase_plasticity)
allocate(constitutive_dislotwin_Ctwin_66(6,6,maxTotalNtwin,maxNinstance), source=0.0_pReal) if (phase_plasticity(phase) == PLASTICITY_dislotwin_ID) then
allocate(constitutive_dislotwin_Ctwin_3333(3,3,3,3,maxTotalNtwin,maxNinstance), source=0.0_pReal) instance = phase_plasticityInstance(phase)
instancesLoop: do instance = 1_pInt,maxNinstance
structID = constitutive_dislotwin_structure(instance)
ns = constitutive_dislotwin_totalNslip(instance) ns = constitutive_dislotwin_totalNslip(instance)
nt = constitutive_dislotwin_totalNtwin(instance) nt = constitutive_dislotwin_totalNtwin(instance)
!* Determine size of state array !--------------------------------------------------------------------------------------------------
! Determine size of state array
constitutive_dislotwin_sizeDotState(instance) = int(size(CONSTITUTIVE_DISLOTWIN_listBasicSlipStates),pInt) * ns & constitutive_dislotwin_sizeDotState(instance) = int(size(CONSTITUTIVE_DISLOTWIN_listBasicSlipStates),pInt) * ns &
+ int(size(CONSTITUTIVE_DISLOTWIN_listBasicTwinStates),pInt) * nt + int(size(CONSTITUTIVE_DISLOTWIN_listBasicTwinStates),pInt) * nt
constitutive_dislotwin_sizeState(instance) = constitutive_dislotwin_sizeDotState(instance) & constitutive_dislotwin_sizeState(instance) = constitutive_dislotwin_sizeDotState(instance) &
+ int(size(CONSTITUTIVE_DISLOTWIN_listDependentSlipStates),pInt) * ns & + int(size(CONSTITUTIVE_DISLOTWIN_listDependentSlipStates),pInt) * ns &
+ int(size(CONSTITUTIVE_DISLOTWIN_listDependentTwinStates),pInt) * nt + int(size(CONSTITUTIVE_DISLOTWIN_listDependentTwinStates),pInt) * nt
!* Determine size of postResults array !--------------------------------------------------------------------------------------------------
! Determine size of postResults array
outputsLoop: do o = 1_pInt,constitutive_dislotwin_Noutput(instance) outputsLoop: do o = 1_pInt,constitutive_dislotwin_Noutput(instance)
select case(constitutive_dislotwin_outputID(o,instance)) select case(constitutive_dislotwin_outputID(o,instance))
case(edge_density_ID, & case(edge_density_ID, &
@ -700,25 +631,6 @@ subroutine constitutive_dislotwin_init(fileUnit)
endif endif
enddo outputsLoop enddo outputsLoop
!* Elasticity matrix and shear modulus according to material.config
constitutive_dislotwin_Cslip_66(1:6,1:6,instance) = lattice_symmetrizeC66(constitutive_dislotwin_structureID(instance),&
constitutive_dislotwin_Cslip_66(:,:,instance))
constitutive_dislotwin_Gmod(instance) = &
0.2_pReal*(constitutive_dislotwin_Cslip_66(1,1,instance)-constitutive_dislotwin_Cslip_66(1,2,instance)) &
+0.6_pReal*constitutive_dislotwin_Cslip_66(4,4,instance) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
constitutive_dislotwin_nu(instance) = ( constitutive_dislotwin_Cslip_66(1,1,instance) &
+ 4.0_pReal*constitutive_dislotwin_Cslip_66(1,2,instance) &
- 2.0_pReal*constitutive_dislotwin_Cslip_66(1,2,instance) ) &
/ ( 4.0_pReal*constitutive_dislotwin_Cslip_66(1,1,instance) &
+6.0_pReal*constitutive_dislotwin_Cslip_66(1,2,instance) &
+ 2.0_pReal*constitutive_dislotwin_Cslip_66(4,4,instance) )
constitutive_dislotwin_Cslip_66(1:6,1:6,instance) = &
math_Mandel3333to66(math_Voigt66to3333(constitutive_dislotwin_Cslip_66(1:6,1:6,instance)))
constitutive_dislotwin_Cslip_3333(1:3,1:3,1:3,1:3,instance) = &
math_Voigt66to3333(constitutive_dislotwin_Cslip_66(1:6,1:6,instance))
!* Process slip related parameters ------------------------------------------------ !* Process slip related parameters ------------------------------------------------
slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily
@ -749,13 +661,13 @@ subroutine constitutive_dislotwin_init(fileUnit)
index_otherFamily = sum(constitutive_dislotwin_Nslip(1:o-1_pInt,instance)) index_otherFamily = sum(constitutive_dislotwin_Nslip(1:o-1_pInt,instance))
do k = 1_pInt,constitutive_dislotwin_Nslip(o,instance) ! loop over (active) systems in other family (slip) do k = 1_pInt,constitutive_dislotwin_Nslip(o,instance) ! loop over (active) systems in other family (slip)
constitutive_dislotwin_forestProjectionEdge(index_myFamily+j,index_otherFamily+k,instance) = & constitutive_dislotwin_forestProjectionEdge(index_myFamily+j,index_otherFamily+k,instance) = &
abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,structID))+j,structID), & abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,phase))+j,phase), &
lattice_st(:,sum(lattice_NslipSystem(1:o-1,structID))+k,structID))) lattice_st(:,sum(lattice_NslipSystem(1:o-1,phase))+k,phase)))
constitutive_dislotwin_interactionMatrix_SlipSlip(index_myFamily+j,index_otherFamily+k,instance) = & constitutive_dislotwin_interactionMatrix_SlipSlip(index_myFamily+j,index_otherFamily+k,instance) = &
constitutive_dislotwin_interaction_SlipSlip(lattice_interactionSlipSlip( & constitutive_dislotwin_interaction_SlipSlip(lattice_interactionSlipSlip( &
sum(lattice_NslipSystem(1:f-1,structID))+j, & sum(lattice_NslipSystem(1:f-1,phase))+j, &
sum(lattice_NslipSystem(1:o-1,structID))+k, & sum(lattice_NslipSystem(1:o-1,phase))+k, &
structID), instance ) phase), instance )
enddo; enddo enddo; enddo
do o = 1_pInt,lattice_maxNtwinFamily do o = 1_pInt,lattice_maxNtwinFamily
@ -763,9 +675,9 @@ subroutine constitutive_dislotwin_init(fileUnit)
do k = 1_pInt,constitutive_dislotwin_Ntwin(o,instance) ! loop over (active) systems in other family (twin) do k = 1_pInt,constitutive_dislotwin_Ntwin(o,instance) ! loop over (active) systems in other family (twin)
constitutive_dislotwin_interactionMatrix_SlipTwin(index_myFamily+j,index_otherFamily+k,instance) = & constitutive_dislotwin_interactionMatrix_SlipTwin(index_myFamily+j,index_otherFamily+k,instance) = &
constitutive_dislotwin_interaction_SlipTwin(lattice_interactionSlipTwin( & constitutive_dislotwin_interaction_SlipTwin(lattice_interactionSlipTwin( &
sum(lattice_NslipSystem(1:f-1_pInt,structID))+j, & sum(lattice_NslipSystem(1:f-1_pInt,phase))+j, &
sum(lattice_NtwinSystem(1:o-1_pInt,structID))+k, & sum(lattice_NtwinSystem(1:o-1_pInt,phase))+k, &
structID), instance ) phase), instance )
enddo; enddo enddo; enddo
enddo slipSystemsLoop enddo slipSystemsLoop
@ -792,31 +704,30 @@ subroutine constitutive_dislotwin_init(fileUnit)
!* Rotate twin elasticity matrices !* Rotate twin elasticity matrices
index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,structID)) ! index in full lattice twin list index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) ! index in full lattice twin list
do l = 1_pInt,3_pInt ; do m = 1_pInt,3_pInt ; do n = 1_pInt,3_pInt ; do o = 1_pInt,3_pInt do l = 1_pInt,3_pInt ; do m = 1_pInt,3_pInt ; do n = 1_pInt,3_pInt ; do o = 1_pInt,3_pInt
do p = 1_pInt,3_pInt ; do q = 1_pInt,3_pInt ; do r = 1_pInt,3_pInt ; do s = 1_pInt,3_pInt do p = 1_pInt,3_pInt ; do q = 1_pInt,3_pInt ; do r = 1_pInt,3_pInt ; do s = 1_pInt,3_pInt
constitutive_dislotwin_Ctwin_3333(l,m,n,o,index_myFamily+j,instance) = & constitutive_dislotwin_Ctwin_3333(l,m,n,o,index_myFamily+j,instance) = &
constitutive_dislotwin_Ctwin_3333(l,m,n,o,index_myFamily+j,instance) + & constitutive_dislotwin_Ctwin_3333(l,m,n,o,index_myFamily+j,instance) + &
constitutive_dislotwin_Cslip_3333(p,q,r,s,instance) * & lattice_C3333(p,q,r,s,instance) * &
lattice_Qtwin(l,p,index_otherFamily+j,structID) * & lattice_Qtwin(l,p,index_otherFamily+j,phase) * &
lattice_Qtwin(m,q,index_otherFamily+j,structID) * & lattice_Qtwin(m,q,index_otherFamily+j,phase) * &
lattice_Qtwin(n,r,index_otherFamily+j,structID) * & lattice_Qtwin(n,r,index_otherFamily+j,phase) * &
lattice_Qtwin(o,s,index_otherFamily+j,structID) lattice_Qtwin(o,s,index_otherFamily+j,phase)
enddo ; enddo ; enddo ; enddo enddo ; enddo ; enddo ; enddo
enddo ; enddo ; enddo ; enddo enddo ; enddo ; enddo ; enddo
constitutive_dislotwin_Ctwin_66(1:6,1:6,index_myFamily+j,instance) = & constitutive_dislotwin_Ctwin_66(1:6,1:6,index_myFamily+j,instance) = &
math_Mandel3333to66(constitutive_dislotwin_Ctwin_3333(1:3,1:3,1:3,1:3,index_myFamily+j,instance)) math_Mandel3333to66(constitutive_dislotwin_Ctwin_3333(1:3,1:3,1:3,1:3,index_myFamily+j,instance))
!* Interaction matrices !* Interaction matrices
do o = 1_pInt,lattice_maxNslipFamily do o = 1_pInt,lattice_maxNslipFamily
index_otherFamily = sum(constitutive_dislotwin_Nslip(1:o-1_pInt,instance)) index_otherFamily = sum(constitutive_dislotwin_Nslip(1:o-1_pInt,instance))
do k = 1_pInt,constitutive_dislotwin_Nslip(o,instance) ! loop over (active) systems in other family (slip) do k = 1_pInt,constitutive_dislotwin_Nslip(o,instance) ! loop over (active) systems in other family (slip)
constitutive_dislotwin_interactionMatrix_TwinSlip(index_myFamily+j,index_otherFamily+k,instance) = & constitutive_dislotwin_interactionMatrix_TwinSlip(index_myFamily+j,index_otherFamily+k,instance) = &
constitutive_dislotwin_interaction_TwinSlip(lattice_interactionTwinSlip( & constitutive_dislotwin_interaction_TwinSlip(lattice_interactionTwinSlip( &
sum(lattice_NtwinSystem(1:f-1_pInt,structID))+j, & sum(lattice_NtwinSystem(1:f-1_pInt,phase))+j, &
sum(lattice_NslipSystem(1:o-1_pInt,structID))+k, & sum(lattice_NslipSystem(1:o-1_pInt,phase))+k, &
structID), instance ) phase), instance )
enddo; enddo enddo; enddo
do o = 1_pInt,lattice_maxNtwinFamily do o = 1_pInt,lattice_maxNtwinFamily
@ -824,15 +735,16 @@ subroutine constitutive_dislotwin_init(fileUnit)
do k = 1_pInt,constitutive_dislotwin_Ntwin(o,instance) ! loop over (active) systems in other family (twin) do k = 1_pInt,constitutive_dislotwin_Ntwin(o,instance) ! loop over (active) systems in other family (twin)
constitutive_dislotwin_interactionMatrix_TwinTwin(index_myFamily+j,index_otherFamily+k,instance) = & constitutive_dislotwin_interactionMatrix_TwinTwin(index_myFamily+j,index_otherFamily+k,instance) = &
constitutive_dislotwin_interaction_TwinTwin(lattice_interactionTwinTwin( & constitutive_dislotwin_interaction_TwinTwin(lattice_interactionTwinTwin( &
sum(lattice_NtwinSystem(1:f-1_pInt,structID))+j, & sum(lattice_NtwinSystem(1:f-1_pInt,phase))+j, &
sum(lattice_NtwinSystem(1:o-1_pInt,structID))+k, & sum(lattice_NtwinSystem(1:o-1_pInt,phase))+k, &
structID), instance ) phase), instance )
enddo; enddo enddo; enddo
enddo twinSystemsLoop enddo twinSystemsLoop
enddo twinFamiliesLoop enddo twinFamiliesLoop
endif
enddo instancesLoop enddo initializeInstances
end subroutine constitutive_dislotwin_init end subroutine constitutive_dislotwin_init
@ -840,15 +752,16 @@ end subroutine constitutive_dislotwin_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief sets the initial microstructural state for a given instance of this plasticity !> @brief sets the initial microstructural state for a given instance of this plasticity
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function constitutive_dislotwin_stateInit(instance) function constitutive_dislotwin_stateInit(instance,phase)
use math, only: & use math, only: &
pi pi
use lattice, only: & use lattice, only: &
lattice_maxNslipFamily lattice_maxNslipFamily, &
lattice_mu
implicit none implicit none
integer(pInt), intent(in) :: instance !< number specifying the instance of the plasticity integer(pInt), intent(in) :: instance !< number specifying the instance of the plasticity
integer(pInt), intent(in) :: phase !< number specifying the phase of the plasticity
real(pReal), dimension(constitutive_dislotwin_sizeState(instance)) :: & real(pReal), dimension(constitutive_dislotwin_sizeState(instance)) :: &
constitutive_dislotwin_stateInit constitutive_dislotwin_stateInit
@ -895,7 +808,7 @@ function constitutive_dislotwin_stateInit(instance)
forall (i = 1_pInt:ns) & forall (i = 1_pInt:ns) &
tauSlipThreshold0(i) = constitutive_dislotwin_SolidSolutionStrength(instance) + & tauSlipThreshold0(i) = constitutive_dislotwin_SolidSolutionStrength(instance) + &
constitutive_dislotwin_Gmod(instance)*constitutive_dislotwin_burgersPerSlipSystem(i,instance) * & lattice_mu(phase)*constitutive_dislotwin_burgersPerSlipSystem(i,instance) * &
sqrt(dot_product((rhoEdge0+rhoEdgeDip0),constitutive_dislotwin_interactionMatrix_SlipSlip(i,1:ns,instance))) sqrt(dot_product((rhoEdge0+rhoEdgeDip0),constitutive_dislotwin_interactionMatrix_SlipSlip(i,1:ns,instance)))
constitutive_dislotwin_stateInit(6_pInt*ns+4_pInt*nt+1:7_pInt*ns+4_pInt*nt) = tauSlipThreshold0 constitutive_dislotwin_stateInit(6_pInt*ns+4_pInt*nt+1:7_pInt*ns+4_pInt*nt) = tauSlipThreshold0
@ -960,6 +873,8 @@ pure function constitutive_dislotwin_homogenizedC(state,ipc,ip,el)
homogenization_maxNgrains, & homogenization_maxNgrains, &
material_phase, & material_phase, &
phase_plasticityInstance phase_plasticityInstance
use lattice, only: &
lattice_C66
implicit none implicit none
real(pReal), dimension(6,6) :: & real(pReal), dimension(6,6) :: &
@ -971,11 +886,12 @@ pure function constitutive_dislotwin_homogenizedC(state,ipc,ip,el)
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: & type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
state !< microstructure state state !< microstructure state
integer(pInt) :: instance,ns,nt,i integer(pInt) :: instance,ns,nt,i,phase
real(pReal) :: sumf real(pReal) :: sumf
!* Shortened notation !* Shortened notation
instance = phase_plasticityInstance(material_phase(ipc,ip,el)) phase = material_phase(ipc,ip,el)
instance = phase_plasticityInstance(phase)
ns = constitutive_dislotwin_totalNslip(instance) ns = constitutive_dislotwin_totalNslip(instance)
nt = constitutive_dislotwin_totalNtwin(instance) nt = constitutive_dislotwin_totalNtwin(instance)
@ -983,10 +899,10 @@ pure function constitutive_dislotwin_homogenizedC(state,ipc,ip,el)
sumf = sum(state(ipc,ip,el)%p((3_pInt*ns+1_pInt):(3_pInt*ns+nt))) ! safe for nt == 0 sumf = sum(state(ipc,ip,el)%p((3_pInt*ns+1_pInt):(3_pInt*ns+nt))) ! safe for nt == 0
!* Homogenized elasticity matrix !* Homogenized elasticity matrix
constitutive_dislotwin_homogenizedC = (1.0_pReal-sumf)*constitutive_dislotwin_Cslip_66(1:6,1:6,instance) constitutive_dislotwin_homogenizedC = (1.0_pReal-sumf)*lattice_C66(1:6,1:6,phase)
do i=1_pInt,nt do i=1_pInt,nt
constitutive_dislotwin_homogenizedC = & constitutive_dislotwin_homogenizedC = &
constitutive_dislotwin_homogenizedC + state(ipc,ip,el)%p(3_pInt*ns+i)*constitutive_dislotwin_Ctwin_66(1:6,1:6,i,instance) constitutive_dislotwin_homogenizedC + state(ipc,ip,el)%p(3_pInt*ns+i)*lattice_C66(1:6,1:6,phase)
enddo enddo
end function constitutive_dislotwin_homogenizedC end function constitutive_dislotwin_homogenizedC
@ -1006,6 +922,9 @@ subroutine constitutive_dislotwin_microstructure(temperature,state,ipc,ip,el)
homogenization_maxNgrains, & homogenization_maxNgrains, &
material_phase, & material_phase, &
phase_plasticityInstance phase_plasticityInstance
use lattice, only: &
lattice_mu, &
lattice_nu
implicit none implicit none
integer(pInt), intent(in) :: & integer(pInt), intent(in) :: &
@ -1018,15 +937,15 @@ subroutine constitutive_dislotwin_microstructure(temperature,state,ipc,ip,el)
state !< microstructure state state !< microstructure state
integer(pInt) :: & integer(pInt) :: &
instance,structID,& instance,phase,&
ns,nt,s,t ns,nt,s,t
real(pReal) :: & real(pReal) :: &
sumf,sfe,x0 sumf,sfe,x0
real(pReal), dimension(constitutive_dislotwin_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: fOverStacksize real(pReal), dimension(constitutive_dislotwin_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: fOverStacksize
!* Shortened notation !* Shortened notation
instance = phase_plasticityInstance(material_phase(ipc,ip,el)) phase = material_phase(ipc,ip,el)
structID = constitutive_dislotwin_structure(instance) instance = phase_plasticityInstance(phase)
ns = constitutive_dislotwin_totalNslip(instance) ns = constitutive_dislotwin_totalNslip(instance)
nt = constitutive_dislotwin_totalNtwin(instance) nt = constitutive_dislotwin_totalNtwin(instance)
!* State: 1 : ns rho_edge !* State: 1 : ns rho_edge
@ -1099,7 +1018,7 @@ subroutine constitutive_dislotwin_microstructure(temperature,state,ipc,ip,el)
!* threshold stress for dislocation motion !* threshold stress for dislocation motion
forall (s = 1_pInt:ns) & forall (s = 1_pInt:ns) &
state(ipc,ip,el)%p(6_pInt*ns+4_pInt*nt+s) = constitutive_dislotwin_SolidSolutionStrength(instance)+ & state(ipc,ip,el)%p(6_pInt*ns+4_pInt*nt+s) = constitutive_dislotwin_SolidSolutionStrength(instance)+ &
constitutive_dislotwin_Gmod(instance)*constitutive_dislotwin_burgersPerSlipSystem(s,instance)*& lattice_mu(phase)*constitutive_dislotwin_burgersPerSlipSystem(s,instance)*&
sqrt(dot_product((state(ipc,ip,el)%p(1:ns)+state(ipc,ip,el)%p(ns+1_pInt:2_pInt*ns)),& sqrt(dot_product((state(ipc,ip,el)%p(1:ns)+state(ipc,ip,el)%p(ns+1_pInt:2_pInt*ns)),&
constitutive_dislotwin_interactionMatrix_SlipSlip(s,1:ns,instance))) constitutive_dislotwin_interactionMatrix_SlipSlip(s,1:ns,instance)))
@ -1108,7 +1027,7 @@ subroutine constitutive_dislotwin_microstructure(temperature,state,ipc,ip,el)
state(ipc,ip,el)%p(7_pInt*ns+4_pInt*nt+t) = & state(ipc,ip,el)%p(7_pInt*ns+4_pInt*nt+t) = &
constitutive_dislotwin_Cthresholdtwin(instance)*& constitutive_dislotwin_Cthresholdtwin(instance)*&
(sfe/(3.0_pReal*constitutive_dislotwin_burgersPerTwinSystem(t,instance))+& (sfe/(3.0_pReal*constitutive_dislotwin_burgersPerTwinSystem(t,instance))+&
3.0_pReal*constitutive_dislotwin_burgersPerTwinSystem(t,instance)*constitutive_dislotwin_Gmod(instance)/& 3.0_pReal*constitutive_dislotwin_burgersPerTwinSystem(t,instance)*lattice_mu(phase)/&
(constitutive_dislotwin_L0(instance)*constitutive_dislotwin_burgersPerSlipSystem(t,instance))) (constitutive_dislotwin_L0(instance)*constitutive_dislotwin_burgersPerSlipSystem(t,instance)))
!* final twin volume after growth !* final twin volume after growth
@ -1118,10 +1037,10 @@ subroutine constitutive_dislotwin_microstructure(temperature,state,ipc,ip,el)
!* equilibrium seperation of partial dislocations !* equilibrium seperation of partial dislocations
do t = 1_pInt,nt do t = 1_pInt,nt
x0 = constitutive_dislotwin_Gmod(instance)*constitutive_dislotwin_burgersPerTwinSystem(t,instance)**(2.0_pReal)/& x0 = lattice_mu(phase)*constitutive_dislotwin_burgersPerTwinSystem(t,instance)**(2.0_pReal)/&
(sfe*8.0_pReal*pi)*(2.0_pReal+constitutive_dislotwin_nu(instance))/(1.0_pReal-constitutive_dislotwin_nu(instance)) (sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(phase))/(1.0_pReal-lattice_nu(phase))
constitutive_dislotwin_tau_r(t,instance)= & constitutive_dislotwin_tau_r(t,instance)= &
constitutive_dislotwin_Gmod(instance)*constitutive_dislotwin_burgersPerTwinSystem(t,instance)/(2.0_pReal*pi)*& lattice_mu(phase)*constitutive_dislotwin_burgersPerTwinSystem(t,instance)/(2.0_pReal*pi)*&
(1/(x0+constitutive_dislotwin_xc(instance))+cos(pi/3.0_pReal)/x0) (1/(x0+constitutive_dislotwin_xc(instance))+cos(pi/3.0_pReal)/x0)
enddo enddo
@ -1159,7 +1078,8 @@ subroutine constitutive_dislotwin_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperat
lattice_NslipSystem, & lattice_NslipSystem, &
lattice_NtwinSystem, & lattice_NtwinSystem, &
lattice_shearTwin, & lattice_shearTwin, &
lattice_fcc_corellationTwinSlip, & lattice_structure, &
lattice_fcc_twinNucleationSlipPair, &
LATTICE_fcc_ID LATTICE_fcc_ID
implicit none implicit none
@ -1170,7 +1090,7 @@ subroutine constitutive_dislotwin_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperat
real(pReal), dimension(3,3), intent(out) :: Lp real(pReal), dimension(3,3), intent(out) :: Lp
real(pReal), dimension(9,9), intent(out) :: dLp_dTstar real(pReal), dimension(9,9), intent(out) :: dLp_dTstar
integer(pInt) :: instance,structID,ns,nt,f,i,j,k,l,m,n,index_myFamily,s1,s2 integer(pInt) :: instance,phase,ns,nt,f,i,j,k,l,m,n,index_myFamily,s1,s2
real(pReal) :: sumf,StressRatio_p,StressRatio_pminus1,StressRatio_r,BoltzmannRatio,DotGamma0,Ndot0 real(pReal) :: sumf,StressRatio_p,StressRatio_pminus1,StressRatio_r,BoltzmannRatio,DotGamma0,Ndot0
real(pReal), dimension(3,3,3,3) :: dLp_dTstar3333 real(pReal), dimension(3,3,3,3) :: dLp_dTstar3333
real(pReal), dimension(constitutive_dislotwin_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & real(pReal), dimension(constitutive_dislotwin_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
@ -1202,8 +1122,8 @@ subroutine constitutive_dislotwin_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperat
logical error logical error
!* Shortened notation !* Shortened notation
instance = phase_plasticityInstance(material_phase(ipc,ip,el)) phase = material_phase(ipc,ip,el)
structID = constitutive_dislotwin_structure(instance) instance = phase_plasticityInstance(phase)
ns = constitutive_dislotwin_totalNslip(instance) ns = constitutive_dislotwin_totalNslip(instance)
nt = constitutive_dislotwin_totalNtwin(instance) nt = constitutive_dislotwin_totalNtwin(instance)
@ -1219,13 +1139,13 @@ subroutine constitutive_dislotwin_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperat
dgdot_dtauslip = 0.0_pReal dgdot_dtauslip = 0.0_pReal
j = 0_pInt j = 0_pInt
slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily
index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,phase)) ! at which index starts my family
slipSystemsLoop: do i = 1_pInt,constitutive_dislotwin_Nslip(f,instance) slipSystemsLoop: do i = 1_pInt,constitutive_dislotwin_Nslip(f,instance)
j = j+1_pInt j = j+1_pInt
!* Calculation of Lp !* Calculation of Lp
!* Resolved shear stress on slip system !* Resolved shear stress on slip system
tau_slip(j) = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,structID)) tau_slip(j) = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,phase))
!* Stress ratios !* Stress ratios
StressRatio_p = (abs(tau_slip(j))/state(ipc,ip,el)%p(6*ns+4*nt+j))**constitutive_dislotwin_p(instance) StressRatio_p = (abs(tau_slip(j))/state(ipc,ip,el)%p(6*ns+4*nt+j))**constitutive_dislotwin_p(instance)
@ -1249,14 +1169,14 @@ subroutine constitutive_dislotwin_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperat
StressRatio_pminus1*(1-StressRatio_p)**(constitutive_dislotwin_q(instance)-1.0_pReal) StressRatio_pminus1*(1-StressRatio_p)**(constitutive_dislotwin_q(instance)-1.0_pReal)
!* Plastic velocity gradient for dislocation glide !* Plastic velocity gradient for dislocation glide
Lp = Lp + gdot_slip(j)*lattice_Sslip(:,:,1,index_myFamily+i,structID) Lp = Lp + gdot_slip(j)*lattice_Sslip(:,:,1,index_myFamily+i,phase)
!* Calculation of the tangent of Lp !* Calculation of the tangent of Lp
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = & dLp_dTstar3333(k,l,m,n) = &
dLp_dTstar3333(k,l,m,n) + dgdot_dtauslip(j)*& dLp_dTstar3333(k,l,m,n) + dgdot_dtauslip(j)*&
lattice_Sslip(k,l,1,index_myFamily+i,structID)*& lattice_Sslip(k,l,1,index_myFamily+i,phase)*&
lattice_Sslip(m,n,1,index_myFamily+i,structID) lattice_Sslip(m,n,1,index_myFamily+i,phase)
enddo slipSystemsLoop enddo slipSystemsLoop
enddo slipFamiliesLoop enddo slipFamiliesLoop
@ -1312,23 +1232,23 @@ subroutine constitutive_dislotwin_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperat
dgdot_dtautwin = 0.0_pReal dgdot_dtautwin = 0.0_pReal
j = 0_pInt j = 0_pInt
twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily
index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) ! at which index starts my family
twinSystemsLoop: do i = 1_pInt,constitutive_dislotwin_Ntwin(f,instance) twinSystemsLoop: do i = 1_pInt,constitutive_dislotwin_Ntwin(f,instance)
j = j+1_pInt j = j+1_pInt
!* Calculation of Lp !* Calculation of Lp
!* Resolved shear stress on twin system !* Resolved shear stress on twin system
tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,structID)) tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,phase))
!* Stress ratios !* Stress ratios
StressRatio_r = (state(ipc,ip,el)%p(7*ns+4*nt+j)/tau_twin(j))**constitutive_dislotwin_r(instance) StressRatio_r = (state(ipc,ip,el)%p(7*ns+4*nt+j)/tau_twin(j))**constitutive_dislotwin_r(instance)
!* Shear rates and their derivatives due to twin !* Shear rates and their derivatives due to twin
if ( tau_twin(j) > 0.0_pReal ) then if ( tau_twin(j) > 0.0_pReal ) then
select case(constitutive_dislotwin_structureID(instance)) select case(lattice_structure(phase))
case (LATTICE_fcc_ID) case (LATTICE_fcc_ID)
s1=lattice_fcc_corellationTwinSlip(1,index_myFamily+i) s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i)
s2=lattice_fcc_corellationTwinSlip(2,index_myFamily+i) s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i)
if (tau_twin(j) < constitutive_dislotwin_tau_r(j,instance)) then if (tau_twin(j) < constitutive_dislotwin_tau_r(j,instance)) then
Ndot0=(abs(gdot_slip(s1))*(state(ipc,ip,el)%p(s2)+state(ipc,ip,el)%p(ns+s2))+& Ndot0=(abs(gdot_slip(s1))*(state(ipc,ip,el)%p(s2)+state(ipc,ip,el)%p(ns+s2))+&
abs(gdot_slip(s2))*(state(ipc,ip,el)%p(s1)+state(ipc,ip,el)%p(ns+s1)))/& abs(gdot_slip(s2))*(state(ipc,ip,el)%p(s1)+state(ipc,ip,el)%p(ns+s1)))/&
@ -1342,20 +1262,20 @@ subroutine constitutive_dislotwin_LpAndItsTangent(Lp,dLp_dTstar,Tstar_v,Temperat
Ndot0=constitutive_dislotwin_Ndot0PerTwinSystem(j,instance) Ndot0=constitutive_dislotwin_Ndot0PerTwinSystem(j,instance)
end select end select
gdot_twin(j) = & gdot_twin(j) = &
(constitutive_dislotwin_MaxTwinFraction(instance)-sumf)*lattice_shearTwin(index_myFamily+i,structID)*& (constitutive_dislotwin_MaxTwinFraction(instance)-sumf)*lattice_shearTwin(index_myFamily+i,phase)*&
state(ipc,ip,el)%p(7*ns+5*nt+j)*Ndot0*exp(-StressRatio_r) state(ipc,ip,el)%p(7*ns+5*nt+j)*Ndot0*exp(-StressRatio_r)
dgdot_dtautwin(j) = ((gdot_twin(j)*constitutive_dislotwin_r(instance))/tau_twin(j))*StressRatio_r dgdot_dtautwin(j) = ((gdot_twin(j)*constitutive_dislotwin_r(instance))/tau_twin(j))*StressRatio_r
endif endif
!* Plastic velocity gradient for mechanical twinning !* Plastic velocity gradient for mechanical twinning
Lp = Lp + gdot_twin(j)*lattice_Stwin(:,:,index_myFamily+i,structID) Lp = Lp + gdot_twin(j)*lattice_Stwin(:,:,index_myFamily+i,phase)
!* Calculation of the tangent of Lp !* Calculation of the tangent of Lp
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = & dLp_dTstar3333(k,l,m,n) = &
dLp_dTstar3333(k,l,m,n) + dgdot_dtautwin(j)*& dLp_dTstar3333(k,l,m,n) + dgdot_dtautwin(j)*&
lattice_Stwin(k,l,index_myFamily+i,structID)*& lattice_Stwin(k,l,index_myFamily+i,phase)*&
lattice_Stwin(m,n,index_myFamily+i,structID) lattice_Stwin(m,n,index_myFamily+i,phase)
enddo twinSystemsLoop enddo twinSystemsLoop
enddo twinFamiliesLoop enddo twinFamiliesLoop
@ -1387,7 +1307,9 @@ pure function constitutive_dislotwin_dotState(Tstar_v,Temperature,state,ipc,ip,e
lattice_NslipSystem, & lattice_NslipSystem, &
lattice_NtwinSystem, & lattice_NtwinSystem, &
lattice_sheartwin, & lattice_sheartwin, &
lattice_fcc_corellationTwinSlip, & lattice_mu, &
lattice_structure, &
lattice_fcc_twinNucleationSlipPair, &
LATTICE_fcc_ID LATTICE_fcc_ID
implicit none implicit none
@ -1404,8 +1326,8 @@ pure function constitutive_dislotwin_dotState(Tstar_v,Temperature,state,ipc,ip,e
real(pReal), dimension(constitutive_dislotwin_sizeDotState(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & real(pReal), dimension(constitutive_dislotwin_sizeDotState(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
constitutive_dislotwin_dotState constitutive_dislotwin_dotState
integer(pInt) instance,structID,ns,nt,f,i,j,index_myFamily,s1,s2 integer(pInt) :: instance,phase,ns,nt,f,i,j,index_myFamily,s1,s2
real(pReal) sumf,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,& real(pReal) :: sumf,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,&
EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0 EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0
real(pReal), dimension(constitutive_dislotwin_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & real(pReal), dimension(constitutive_dislotwin_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
gdot_slip,tau_slip,DotRhoMultiplication,EdgeDipDistance,DotRhoEdgeEdgeAnnihilation,DotRhoEdgeDipAnnihilation,& gdot_slip,tau_slip,DotRhoMultiplication,EdgeDipDistance,DotRhoEdgeEdgeAnnihilation,DotRhoEdgeDipAnnihilation,&
@ -1414,8 +1336,8 @@ pure function constitutive_dislotwin_dotState(Tstar_v,Temperature,state,ipc,ip,e
tau_twin tau_twin
!* Shortened notation !* Shortened notation
instance = phase_plasticityInstance(material_phase(ipc,ip,el)) phase = material_phase(ipc,ip,el)
structID = constitutive_dislotwin_structure(instance) instance = phase_plasticityInstance(phase)
ns = constitutive_dislotwin_totalNslip(instance) ns = constitutive_dislotwin_totalNslip(instance)
nt = constitutive_dislotwin_totalNtwin(instance) nt = constitutive_dislotwin_totalNtwin(instance)
@ -1428,13 +1350,13 @@ pure function constitutive_dislotwin_dotState(Tstar_v,Temperature,state,ipc,ip,e
gdot_slip = 0.0_pReal gdot_slip = 0.0_pReal
j = 0_pInt j = 0_pInt
do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families
index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_dislotwin_Nslip(f,instance) ! process each (active) slip system in family do i = 1_pInt,constitutive_dislotwin_Nslip(f,instance) ! process each (active) slip system in family
j = j+1_pInt j = j+1_pInt
!* Resolved shear stress on slip system !* Resolved shear stress on slip system
tau_slip(j) = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,structID)) tau_slip(j) = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,phase))
!* Stress ratios !* Stress ratios
StressRatio_p = (abs(tau_slip(j))/state(ipc,ip,el)%p(6_pInt*ns+4_pInt*nt+j))**& StressRatio_p = (abs(tau_slip(j))/state(ipc,ip,el)%p(6_pInt*ns+4_pInt*nt+j))**&
constitutive_dislotwin_p(instance) constitutive_dislotwin_p(instance)
@ -1462,7 +1384,7 @@ pure function constitutive_dislotwin_dotState(Tstar_v,Temperature,state,ipc,ip,e
DotRhoDipFormation(j) = 0.0_pReal DotRhoDipFormation(j) = 0.0_pReal
else else
EdgeDipDistance(j) = & EdgeDipDistance(j) = &
(3.0_pReal*constitutive_dislotwin_Gmod(instance)*constitutive_dislotwin_burgersPerSlipSystem(j,instance))/& (3.0_pReal*lattice_mu(phase)*constitutive_dislotwin_burgersPerSlipSystem(j,instance))/&
(16.0_pReal*pi*abs(tau_slip(j))) (16.0_pReal*pi*abs(tau_slip(j)))
if (EdgeDipDistance(j)>state(ipc,ip,el)%p(5*ns+3*nt+j)) EdgeDipDistance(j)=state(ipc,ip,el)%p(5*ns+3*nt+j) if (EdgeDipDistance(j)>state(ipc,ip,el)%p(5*ns+3*nt+j)) EdgeDipDistance(j)=state(ipc,ip,el)%p(5*ns+3*nt+j)
if (EdgeDipDistance(j)<EdgeDipMinDistance) EdgeDipDistance(j)=EdgeDipMinDistance if (EdgeDipDistance(j)<EdgeDipMinDistance) EdgeDipDistance(j)=EdgeDipMinDistance
@ -1490,7 +1412,7 @@ pure function constitutive_dislotwin_dotState(Tstar_v,Temperature,state,ipc,ip,e
DotRhoEdgeDipClimb(j) = 0.0_pReal DotRhoEdgeDipClimb(j) = 0.0_pReal
else else
ClimbVelocity(j) = & ClimbVelocity(j) = &
((3.0_pReal*constitutive_dislotwin_Gmod(instance)*VacancyDiffusion*AtomicVolume)/(2.0_pReal*pi*kB*Temperature))*& ((3.0_pReal*lattice_mu(phase)*VacancyDiffusion*AtomicVolume)/(2.0_pReal*pi*kB*Temperature))*&
(1/(EdgeDipDistance(j)+EdgeDipMinDistance)) (1/(EdgeDipDistance(j)+EdgeDipMinDistance))
DotRhoEdgeDipClimb(j) = & DotRhoEdgeDipClimb(j) = &
(4.0_pReal*ClimbVelocity(j)*state(ipc,ip,el)%p(ns+j))/(EdgeDipDistance(j)-EdgeDipMinDistance) (4.0_pReal*ClimbVelocity(j)*state(ipc,ip,el)%p(ns+j))/(EdgeDipDistance(j)-EdgeDipMinDistance)
@ -1513,21 +1435,21 @@ pure function constitutive_dislotwin_dotState(Tstar_v,Temperature,state,ipc,ip,e
!* Twin volume fraction evolution !* Twin volume fraction evolution
j = 0_pInt j = 0_pInt
do f = 1_pInt,lattice_maxNtwinFamily ! loop over all twin families do f = 1_pInt,lattice_maxNtwinFamily ! loop over all twin families
index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_dislotwin_Ntwin(f,instance) ! process each (active) twin system in family do i = 1_pInt,constitutive_dislotwin_Ntwin(f,instance) ! process each (active) twin system in family
j = j+1_pInt j = j+1_pInt
!* Resolved shear stress on twin system !* Resolved shear stress on twin system
tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,structID)) tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,phase))
!* Stress ratios !* Stress ratios
StressRatio_r = (state(ipc,ip,el)%p(7*ns+4*nt+j)/tau_twin(j))**constitutive_dislotwin_r(instance) StressRatio_r = (state(ipc,ip,el)%p(7*ns+4*nt+j)/tau_twin(j))**constitutive_dislotwin_r(instance)
!* Shear rates and their derivatives due to twin !* Shear rates and their derivatives due to twin
if ( tau_twin(j) > 0.0_pReal ) then if ( tau_twin(j) > 0.0_pReal ) then
select case(constitutive_dislotwin_structureID(instance)) select case(lattice_structure(phase))
case (LATTICE_fcc_ID) case (LATTICE_fcc_ID)
s1=lattice_fcc_corellationTwinSlip(1,index_myFamily+i) s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i)
s2=lattice_fcc_corellationTwinSlip(2,index_myFamily+i) s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i)
if (tau_twin(j) < constitutive_dislotwin_tau_r(j,instance)) then if (tau_twin(j) < constitutive_dislotwin_tau_r(j,instance)) then
Ndot0=(abs(gdot_slip(s1))*(state(ipc,ip,el)%p(s2)+state(ipc,ip,el)%p(ns+s2))+& Ndot0=(abs(gdot_slip(s1))*(state(ipc,ip,el)%p(s2)+state(ipc,ip,el)%p(ns+s2))+&
abs(gdot_slip(s2))*(state(ipc,ip,el)%p(s1)+state(ipc,ip,el)%p(ns+s1)))/& abs(gdot_slip(s2))*(state(ipc,ip,el)%p(s1)+state(ipc,ip,el)%p(ns+s1)))/&
@ -1543,13 +1465,10 @@ pure function constitutive_dislotwin_dotState(Tstar_v,Temperature,state,ipc,ip,e
constitutive_dislotwin_dotState(3_pInt*ns+j) = & constitutive_dislotwin_dotState(3_pInt*ns+j) = &
(constitutive_dislotwin_MaxTwinFraction(instance)-sumf)*& (constitutive_dislotwin_MaxTwinFraction(instance)-sumf)*&
state(ipc,ip,el)%p(7_pInt*ns+5_pInt*nt+j)*Ndot0*exp(-StressRatio_r) state(ipc,ip,el)%p(7_pInt*ns+5_pInt*nt+j)*Ndot0*exp(-StressRatio_r)
!* Dotstate for accumulated shear due to twin !* Dotstate for accumulated shear due to twin
constitutive_dislotwin_dotstate(3_pInt*ns+nt+j) = constitutive_dislotwin_dotState(3_pInt*ns+j) * & constitutive_dislotwin_dotstate(3_pInt*ns+nt+j) = constitutive_dislotwin_dotState(3_pInt*ns+j) * &
lattice_sheartwin(index_myfamily+i,structID) lattice_sheartwin(index_myfamily+i,phase)
endif endif
enddo enddo
enddo enddo
@ -1582,7 +1501,9 @@ function constitutive_dislotwin_postResults(Tstar_v,Temperature,state,ipc,ip,el)
lattice_NslipSystem, & lattice_NslipSystem, &
lattice_NtwinSystem, & lattice_NtwinSystem, &
lattice_shearTwin, & lattice_shearTwin, &
lattice_fcc_corellationTwinSlip, & lattice_mu, &
lattice_structure, &
lattice_fcc_twinNucleationSlipPair, &
LATTICE_fcc_ID LATTICE_fcc_ID
implicit none implicit none
@ -1601,7 +1522,7 @@ function constitutive_dislotwin_postResults(Tstar_v,Temperature,state,ipc,ip,el)
constitutive_dislotwin_postResults constitutive_dislotwin_postResults
integer(pInt) :: & integer(pInt) :: &
instance,structID,& instance,phase,&
ns,nt,& ns,nt,&
f,o,i,c,j,index_myFamily,& f,o,i,c,j,index_myFamily,&
s1,s2 s1,s2
@ -1613,8 +1534,8 @@ function constitutive_dislotwin_postResults(Tstar_v,Temperature,state,ipc,ip,el)
logical :: error logical :: error
!* Shortened notation !* Shortened notation
instance = phase_plasticityInstance(material_phase(ipc,ip,el)) phase = material_phase(ipc,ip,el)
structID = constitutive_dislotwin_structure(instance) instance = phase_plasticityInstance(phase)
ns = constitutive_dislotwin_totalNslip(instance) ns = constitutive_dislotwin_totalNslip(instance)
nt = constitutive_dislotwin_totalNtwin(instance) nt = constitutive_dislotwin_totalNtwin(instance)
@ -1640,12 +1561,12 @@ function constitutive_dislotwin_postResults(Tstar_v,Temperature,state,ipc,ip,el)
case (shear_rate_slip_ID) case (shear_rate_slip_ID)
j = 0_pInt j = 0_pInt
do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families
index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_dislotwin_Nslip(f,instance) ! process each (active) slip system in family do i = 1_pInt,constitutive_dislotwin_Nslip(f,instance) ! process each (active) slip system in family
j = j + 1_pInt j = j + 1_pInt
!* Resolved shear stress on slip system !* Resolved shear stress on slip system
tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,structID)) tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,phase))
!* Stress ratios !* Stress ratios
StressRatio_p = (abs(tau)/state(ipc,ip,el)%p(6_pInt*ns+4_pInt*nt+j))**& StressRatio_p = (abs(tau)/state(ipc,ip,el)%p(6_pInt*ns+4_pInt*nt+j))**&
constitutive_dislotwin_p(instance) constitutive_dislotwin_p(instance)
@ -1675,11 +1596,11 @@ function constitutive_dislotwin_postResults(Tstar_v,Temperature,state,ipc,ip,el)
case (resolved_stress_slip_ID) case (resolved_stress_slip_ID)
j = 0_pInt j = 0_pInt
do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families
index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_dislotwin_Nslip(f,instance) ! process each (active) slip system in family do i = 1_pInt,constitutive_dislotwin_Nslip(f,instance) ! process each (active) slip system in family
j = j + 1_pInt j = j + 1_pInt
constitutive_dislotwin_postResults(c+j) =& constitutive_dislotwin_postResults(c+j) =&
dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,structID)) dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,phase))
enddo; enddo enddo; enddo
c = c + ns c = c + ns
case (threshold_stress_slip_ID) case (threshold_stress_slip_ID)
@ -1689,12 +1610,12 @@ function constitutive_dislotwin_postResults(Tstar_v,Temperature,state,ipc,ip,el)
case (edge_dipole_distance_ID) case (edge_dipole_distance_ID)
j = 0_pInt j = 0_pInt
do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families
index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_dislotwin_Nslip(f,instance) ! process each (active) slip system in family do i = 1_pInt,constitutive_dislotwin_Nslip(f,instance) ! process each (active) slip system in family
j = j + 1_pInt j = j + 1_pInt
constitutive_dislotwin_postResults(c+j) = & constitutive_dislotwin_postResults(c+j) = &
(3.0_pReal*constitutive_dislotwin_Gmod(instance)*constitutive_dislotwin_burgersPerSlipSystem(j,instance))/& (3.0_pReal*lattice_mu(phase)*constitutive_dislotwin_burgersPerSlipSystem(j,instance))/&
(16.0_pReal*pi*abs(dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,structID)))) (16.0_pReal*pi*abs(dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,phase))))
constitutive_dislotwin_postResults(c+j) = min(constitutive_dislotwin_postResults(c+j),state(ipc,ip,el)%p(5*ns+3*nt+j)) constitutive_dislotwin_postResults(c+j) = min(constitutive_dislotwin_postResults(c+j),state(ipc,ip,el)%p(5*ns+3*nt+j))
! constitutive_dislotwin_postResults(c+j) = max(constitutive_dislotwin_postResults(c+j),state(ipc,ip,el)%p(4*ns+2*nt+j)) ! constitutive_dislotwin_postResults(c+j) = max(constitutive_dislotwin_postResults(c+j),state(ipc,ip,el)%p(4*ns+2*nt+j))
enddo; enddo enddo; enddo
@ -1730,12 +1651,12 @@ function constitutive_dislotwin_postResults(Tstar_v,Temperature,state,ipc,ip,el)
j = 0_pInt j = 0_pInt
do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families
index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_dislotwin_Nslip(f,instance) ! process each (active) slip system in family do i = 1_pInt,constitutive_dislotwin_Nslip(f,instance) ! process each (active) slip system in family
j = j + 1_pInt j = j + 1_pInt
!* Resolved shear stress on slip system !* Resolved shear stress on slip system
tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,structID)) tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,phase))
!* Stress ratios !* Stress ratios
StressRatio_p = (abs(tau)/state(ipc,ip,el)%p(5_pInt*ns+3_pInt*nt+j))**& StressRatio_p = (abs(tau)/state(ipc,ip,el)%p(5_pInt*ns+3_pInt*nt+j))**&
constitutive_dislotwin_p(instance) constitutive_dislotwin_p(instance)
@ -1755,21 +1676,21 @@ function constitutive_dislotwin_postResults(Tstar_v,Temperature,state,ipc,ip,el)
j = 0_pInt j = 0_pInt
do f = 1_pInt,lattice_maxNtwinFamily ! loop over all twin families do f = 1_pInt,lattice_maxNtwinFamily ! loop over all twin families
index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1,constitutive_dislotwin_Ntwin(f,instance) ! process each (active) twin system in family do i = 1,constitutive_dislotwin_Ntwin(f,instance) ! process each (active) twin system in family
j = j + 1_pInt j = j + 1_pInt
!* Resolved shear stress on twin system !* Resolved shear stress on twin system
tau = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,structID)) tau = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,phase))
!* Stress ratios !* Stress ratios
StressRatio_r = (state(ipc,ip,el)%p(7_pInt*ns+4_pInt*nt+j)/tau)**constitutive_dislotwin_r(instance) StressRatio_r = (state(ipc,ip,el)%p(7_pInt*ns+4_pInt*nt+j)/tau)**constitutive_dislotwin_r(instance)
!* Shear rates due to twin !* Shear rates due to twin
if ( tau > 0.0_pReal ) then if ( tau > 0.0_pReal ) then
select case(constitutive_dislotwin_structureID(instance)) select case(lattice_structure(phase))
case (LATTICE_fcc_ID) case (LATTICE_fcc_ID)
s1=lattice_fcc_corellationTwinSlip(1,index_myFamily+i) s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i)
s2=lattice_fcc_corellationTwinSlip(2,index_myFamily+i) s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i)
if (tau < constitutive_dislotwin_tau_r(j,instance)) then if (tau < constitutive_dislotwin_tau_r(j,instance)) then
Ndot0=(abs(gdot_slip(s1))*(state(ipc,ip,el)%p(s2)+state(ipc,ip,el)%p(ns+s2))+& Ndot0=(abs(gdot_slip(s1))*(state(ipc,ip,el)%p(s2)+state(ipc,ip,el)%p(ns+s2))+&
abs(gdot_slip(s2))*(state(ipc,ip,el)%p(s1)+state(ipc,ip,el)%p(ns+s1)))/& abs(gdot_slip(s2))*(state(ipc,ip,el)%p(s1)+state(ipc,ip,el)%p(ns+s1)))/&
@ -1784,7 +1705,7 @@ function constitutive_dislotwin_postResults(Tstar_v,Temperature,state,ipc,ip,el)
Ndot0=constitutive_dislotwin_Ndot0PerTwinSystem(j,instance) Ndot0=constitutive_dislotwin_Ndot0PerTwinSystem(j,instance)
end select end select
constitutive_dislotwin_postResults(c+j) = & constitutive_dislotwin_postResults(c+j) = &
(constitutive_dislotwin_MaxTwinFraction(instance)-sumf)*lattice_shearTwin(index_myFamily+i,structID)*& (constitutive_dislotwin_MaxTwinFraction(instance)-sumf)*lattice_shearTwin(index_myFamily+i,phase)*&
state(ipc,ip,el)%p(7_pInt*ns+5_pInt*nt+j)*Ndot0*exp(-StressRatio_r) state(ipc,ip,el)%p(7_pInt*ns+5_pInt*nt+j)*Ndot0*exp(-StressRatio_r)
endif endif
@ -1801,10 +1722,10 @@ function constitutive_dislotwin_postResults(Tstar_v,Temperature,state,ipc,ip,el)
if (nt > 0_pInt) then if (nt > 0_pInt) then
j = 0_pInt j = 0_pInt
do f = 1_pInt,lattice_maxNtwinFamily ! loop over all slip families do f = 1_pInt,lattice_maxNtwinFamily ! loop over all slip families
index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_dislotwin_Ntwin(f,instance) ! process each (active) slip system in family do i = 1_pInt,constitutive_dislotwin_Ntwin(f,instance) ! process each (active) slip system in family
j = j + 1_pInt j = j + 1_pInt
constitutive_dislotwin_postResults(c+j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,structID)) constitutive_dislotwin_postResults(c+j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,phase))
enddo; enddo enddo; enddo
endif endif
c = c + nt c = c + nt
@ -1814,12 +1735,12 @@ function constitutive_dislotwin_postResults(Tstar_v,Temperature,state,ipc,ip,el)
case (stress_exponent_ID) case (stress_exponent_ID)
j = 0_pInt j = 0_pInt
do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families
index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_dislotwin_Nslip(f,instance) ! process each (active) slip system in family do i = 1_pInt,constitutive_dislotwin_Nslip(f,instance) ! process each (active) slip system in family
j = j + 1_pInt j = j + 1_pInt
!* Resolved shear stress on slip system !* Resolved shear stress on slip system
tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,structID)) tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,phase))
!* Stress ratios !* Stress ratios
StressRatio_p = (abs(tau)/state(ipc,ip,el)%p(6_pInt*ns+4_pInt*nt+j))**& StressRatio_p = (abs(tau)/state(ipc,ip,el)%p(6_pInt*ns+4_pInt*nt+j))**&
constitutive_dislotwin_p(instance) constitutive_dislotwin_p(instance)

54
code/constitutive_j2.f90
View File

@ -66,8 +66,6 @@ module constitutive_j2
constitutive_j2_tausat_SinhFitC, & !< fitting parameter for normalized strain rate vs. stress function constitutive_j2_tausat_SinhFitC, & !< fitting parameter for normalized strain rate vs. stress function
constitutive_j2_tausat_SinhFitD !< fitting parameter for normalized strain rate vs. stress function constitutive_j2_tausat_SinhFitD !< fitting parameter for normalized strain rate vs. stress function
real(pReal), dimension(:,:,:), allocatable, private :: &
constitutive_j2_Cslip_66
enum, bind(c) enum, bind(c)
enumerator :: undefined_ID, & enumerator :: undefined_ID, &
flowstress_ID, & flowstress_ID, &
@ -80,7 +78,6 @@ module constitutive_j2
constitutive_j2_init, & constitutive_j2_init, &
constitutive_j2_stateInit, & constitutive_j2_stateInit, &
constitutive_j2_aTolState, & constitutive_j2_aTolState, &
constitutive_j2_homogenizedC, &
constitutive_j2_LpAndItsTangent, & constitutive_j2_LpAndItsTangent, &
constitutive_j2_dotState, & constitutive_j2_dotState, &
constitutive_j2_postResults constitutive_j2_postResults
@ -128,7 +125,7 @@ subroutine constitutive_j2_init(fileUnit)
integer(pInt), parameter :: MAXNCHUNKS = 7_pInt integer(pInt), parameter :: MAXNCHUNKS = 7_pInt
integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions
integer(pInt) :: section = 0_pInt, maxNinstance, instance,o, mySize integer(pInt) :: phase, maxNinstance, instance,o, mySize
character(len=65536) :: & character(len=65536) :: &
tag = '', & tag = '', &
line = '' line = ''
@ -152,7 +149,6 @@ subroutine constitutive_j2_init(fileUnit)
constitutive_j2_output = '' constitutive_j2_output = ''
allocate(constitutive_j2_outputID(maxval(phase_Noutput),maxNinstance), source=undefined_ID) allocate(constitutive_j2_outputID(maxval(phase_Noutput),maxNinstance), source=undefined_ID)
allocate(constitutive_j2_Noutput(maxNinstance), source=0_pInt) allocate(constitutive_j2_Noutput(maxNinstance), source=0_pInt)
allocate(constitutive_j2_Cslip_66(6,6,maxNinstance), source=0.0_pReal)
allocate(constitutive_j2_fTaylor(maxNinstance), source=0.0_pReal) allocate(constitutive_j2_fTaylor(maxNinstance), source=0.0_pReal)
allocate(constitutive_j2_tau0(maxNinstance), source=0.0_pReal) allocate(constitutive_j2_tau0(maxNinstance), source=0.0_pReal)
allocate(constitutive_j2_gdot0(maxNinstance), source=0.0_pReal) allocate(constitutive_j2_gdot0(maxNinstance), source=0.0_pReal)
@ -168,11 +164,12 @@ subroutine constitutive_j2_init(fileUnit)
allocate(constitutive_j2_tausat_SinhFitD(maxNinstance), source=0.0_pReal) allocate(constitutive_j2_tausat_SinhFitD(maxNinstance), source=0.0_pReal)
rewind(fileUnit) rewind(fileUnit)
phase = 0_pInt
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partPhase) ! wind forward to <phase> do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partPhase) ! wind forward to <phase>
line = IO_read(fileUnit) line = IO_read(fileUnit)
enddo enddo
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) line = IO_read(fileUnit)
if (IO_isBlank(line)) cycle ! skip empty lines if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') then ! stop at next part if (IO_getTag(line,'<','>') /= '') then ! stop at next part
@ -180,19 +177,19 @@ subroutine constitutive_j2_init(fileUnit)
exit exit
endif endif
if (IO_getTag(line,'[',']') /= '') then ! next section if (IO_getTag(line,'[',']') /= '') then ! next section
section = section + 1_pInt ! advance section counter phase = phase + 1_pInt ! advance section counter
if (phase_plasticity(section) == PLASTICITY_J2_ID) then if (phase_plasticity(phase) == PLASTICITY_J2_ID) then
instance = phase_plasticityInstance(section) instance = phase_plasticityInstance(phase)
constitutive_j2_Cslip_66(1:6,1:6,instance) = lattice_Cslip_66(1:6,1:6,section)
endif endif
cycle ! skip to next line cycle ! skip to next line
endif endif
if (section > 0_pInt ) then; if (phase_plasticity(section) == PLASTICITY_J2_ID) then ! one of my sections. Do not short-circuit here (.and. between if-statements), it's not safe in Fortran 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
instance = phase_plasticityInstance(section) ! which instance of my plasticity is present phase instance = phase_plasticityInstance(phase) ! which instance of my plasticity is present phase
positions = IO_stringPos(line,MAXNCHUNKS) positions = IO_stringPos(line,MAXNCHUNKS)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag) select case(tag)
case ('plasticity','elasticity','lattice_structure','covera_ratio',& case ('plasticity','elasticity','lattice_structure', &
'covera_ratio','c/a_ratio','c/a', &
'c11','c12','c13','c22','c23','c33','c44','c55','c66') 'c11','c12','c13','c22','c23','c33','c44','c55','c66')
case ('(output)') case ('(output)')
constitutive_j2_Noutput(instance) = constitutive_j2_Noutput(instance) + 1_pInt constitutive_j2_Noutput(instance) = constitutive_j2_Noutput(instance) + 1_pInt
@ -250,7 +247,7 @@ subroutine constitutive_j2_init(fileUnit)
call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_J2_label//')') call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_J2_label//')')
end select end select
endif; endif endif; endif
enddo enddo parsingFile
instancesLoop: do instance = 1_pInt,maxNinstance instancesLoop: do instance = 1_pInt,maxNinstance
outputsLoop: do o = 1_pInt,constitutive_j2_Noutput(instance) outputsLoop: do o = 1_pInt,constitutive_j2_Noutput(instance)
@ -292,42 +289,15 @@ end function constitutive_j2_stateInit
pure function constitutive_j2_aTolState(instance) pure function constitutive_j2_aTolState(instance)
implicit none implicit none
real(pReal), dimension(1) :: constitutive_j2_aTolState
integer(pInt), intent(in) :: instance !< number specifying the instance of the plasticity integer(pInt), intent(in) :: instance !< number specifying the instance of the plasticity
real(pReal), dimension(constitutive_j2_sizeState(instance)) :: &
constitutive_j2_aTolState
constitutive_j2_aTolState = constitutive_j2_aTolResistance(instance) constitutive_j2_aTolState = constitutive_j2_aTolResistance(instance)
end function constitutive_j2_aTolState end function constitutive_j2_aTolState
!--------------------------------------------------------------------------------------------------
!> @brief returns the homogenized elasticity matrix
!--------------------------------------------------------------------------------------------------
pure function constitutive_j2_homogenizedC(ipc,ip,el)
use mesh, only: &
mesh_NcpElems, &
mesh_maxNips
use material, only: &
homogenization_maxNgrains,&
material_phase, &
phase_plasticityInstance
implicit none
real(pReal), dimension(6,6) :: &
constitutive_j2_homogenizedC
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
constitutive_j2_homogenizedC = constitutive_j2_Cslip_66(1:6,1:6,&
phase_plasticityInstance(material_phase(ipc,ip,el)))
end function constitutive_j2_homogenizedC
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates plastic velocity gradient and its tangent !> @brief calculates plastic velocity gradient and its tangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

141
code/constitutive_none.f90
View File

@ -25,10 +25,7 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module constitutive_none module constitutive_none
use prec, only: & use prec, only: &
pReal, &
pInt pInt
use lattice, only: &
LATTICE_undefined_ID
implicit none implicit none
private private
@ -40,15 +37,8 @@ module constitutive_none
integer(pInt), dimension(:,:), allocatable, target, public :: & integer(pInt), dimension(:,:), allocatable, target, public :: &
constitutive_none_sizePostResult !< size of each post result output constitutive_none_sizePostResult !< size of each post result output
integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public :: &
constitutive_none_structureID !< ID of the lattice structure
real(pReal), dimension(:,:,:), allocatable, private :: &
constitutive_none_Cslip_66
public :: & public :: &
constitutive_none_init, & constitutive_none_init
constitutive_none_homogenizedC
contains contains
@ -63,43 +53,21 @@ subroutine constitutive_none_init(fileUnit)
debug_level, & debug_level, &
debug_constitutive, & debug_constitutive, &
debug_levelBasic debug_levelBasic
use math, only: &
math_Mandel3333to66, &
math_Voigt66to3333
use IO, only: & use IO, only: &
IO_read, & IO_timeStamp
IO_lc, &
IO_getTag, &
IO_isBlank, &
IO_stringPos, &
IO_stringValue, &
IO_floatValue, &
IO_error, &
IO_timeStamp, &
IO_EOF
use material, only: & use material, only: &
homogenization_maxNgrains, &
phase_plasticity, & phase_plasticity, &
phase_plasticityInstance, &
phase_Noutput, & phase_Noutput, &
PLASTICITY_NONE_label, & PLASTICITY_NONE_label, &
PLASTICITY_NONE_ID, & PLASTICITY_NONE_ID, &
MATERIAL_partPhase MATERIAL_partPhase
use lattice
implicit none implicit none
integer(pInt), intent(in) :: fileUnit integer(pInt), intent(in) :: fileUnit
integer(pInt) :: maxNinstance
integer(pInt), parameter :: MAXNCHUNKS = 7_pInt
integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions
integer(pInt) :: section = 0_pInt, maxNinstance, instance
character(len=32) :: &
structure = ''
character(len=65536) :: &
tag = '', &
line = ''
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_NONE_label//' init -+>>>' write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_NONE_label//' init -+>>>'
write(6,'(a)') ' $Id$' write(6,'(a)') ' $Id$'
@ -115,106 +83,7 @@ subroutine constitutive_none_init(fileUnit)
allocate(constitutive_none_sizeDotState(maxNinstance), source=1_pInt) allocate(constitutive_none_sizeDotState(maxNinstance), source=1_pInt)
allocate(constitutive_none_sizeState(maxNinstance), source=1_pInt) allocate(constitutive_none_sizeState(maxNinstance), source=1_pInt)
allocate(constitutive_none_sizePostResults(maxNinstance), source=0_pInt) allocate(constitutive_none_sizePostResults(maxNinstance), source=0_pInt)
allocate(constitutive_none_structureID(maxNinstance), source=LATTICE_undefined_ID)
allocate(constitutive_none_Cslip_66(6,6,maxNinstance), source=0.0_pReal)
rewind(fileUnit)
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partPhase) ! wind forward to <phase>
line = IO_read(fileUnit)
enddo
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 section
section = section + 1_pInt ! advance section counter
cycle ! skip to next line
endif
if (section > 0_pInt ) then ! do not short-circuit here (.and. with next if-statement). It's not safe in Fortran
if (phase_plasticity(section) == PLASTICITY_NONE_ID) then ! one of my sections
instance = phase_plasticityInstance(section) ! 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','covera_ratio')
case ('lattice_structure')
structure = IO_lc(IO_stringValue(line,positions,2_pInt))
select case(structure(1:3))
case(LATTICE_iso_label)
constitutive_none_structureID(instance) = LATTICE_iso_ID
case(LATTICE_fcc_label)
constitutive_none_structureID(instance) = LATTICE_fcc_ID
case(LATTICE_bcc_label)
constitutive_none_structureID(instance) = LATTICE_bcc_ID
case(LATTICE_hex_label)
constitutive_none_structureID(instance) = LATTICE_hex_ID
case(LATTICE_ort_label)
constitutive_none_structureID(instance) = LATTICE_ort_ID
end select
case ('c11')
constitutive_none_Cslip_66(1,1,instance) = IO_floatValue(line,positions,2_pInt)
case ('c12')
constitutive_none_Cslip_66(1,2,instance) = IO_floatValue(line,positions,2_pInt)
case ('c13')
constitutive_none_Cslip_66(1,3,instance) = IO_floatValue(line,positions,2_pInt)
case ('c22')
constitutive_none_Cslip_66(2,2,instance) = IO_floatValue(line,positions,2_pInt)
case ('c23')
constitutive_none_Cslip_66(2,3,instance) = IO_floatValue(line,positions,2_pInt)
case ('c33')
constitutive_none_Cslip_66(3,3,instance) = IO_floatValue(line,positions,2_pInt)
case ('c44')
constitutive_none_Cslip_66(4,4,instance) = IO_floatValue(line,positions,2_pInt)
case ('c55')
constitutive_none_Cslip_66(5,5,instance) = IO_floatValue(line,positions,2_pInt)
case ('c66')
constitutive_none_Cslip_66(6,6,instance) = IO_floatValue(line,positions,2_pInt)
case default
call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_NONE_label//')')
end select
endif
endif
enddo
instancesLoop: do instance = 1_pInt,maxNinstance
constitutive_none_Cslip_66(1:6,1:6,instance) = &
lattice_symmetrizeC66(constitutive_none_structureID(instance),constitutive_none_Cslip_66(1:6,1:6,instance))
constitutive_none_Cslip_66(1:6,1:6,instance) = & ! Literature data is Voigt, DAMASK uses Mandel
math_Mandel3333to66(math_Voigt66to3333(constitutive_none_Cslip_66(1:6,1:6,instance)))
enddo instancesLoop
end subroutine constitutive_none_init end subroutine constitutive_none_init
!--------------------------------------------------------------------------------------------------
!> @brief returns the homogenized elasticity matrix
!--------------------------------------------------------------------------------------------------
pure function constitutive_none_homogenizedC(ipc,ip,el)
use prec, only: &
p_vec
use mesh, only: &
mesh_NcpElems, &
mesh_maxNips
use material, only: &
homogenization_maxNgrains, &
material_phase, &
phase_plasticityInstance
implicit none
real(pReal), dimension(6,6) :: &
constitutive_none_homogenizedC
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
constitutive_none_homogenizedC = constitutive_none_Cslip_66(1:6,1:6,&
phase_plasticityInstance(material_phase(ipc,ip,el)))
end function constitutive_none_homogenizedC
end module constitutive_none end module constitutive_none

450
code/constitutive_nonlocal.f90
View File

@ -29,8 +29,6 @@ use prec, only: &
pReal, & pReal, &
pInt, & pInt, &
p_vec p_vec
use lattice, only: &
LATTICE_undefined_ID
implicit none implicit none
private private
@ -93,10 +91,6 @@ iRhoD, & !< state in
iV, & !< state indices for dislcation velocities iV, & !< state indices for dislcation velocities
iD !< state indices for stable dipole height iD !< state indices for stable dipole height
integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public :: &
constitutive_nonlocal_structureID !< ID of the lattice structure
integer(pInt), dimension(:), allocatable, public :: & integer(pInt), dimension(:), allocatable, public :: &
constitutive_nonlocal_structure !< number representing the kind of lattice structure constitutive_nonlocal_structure !< number representing the kind of lattice structure
@ -110,9 +104,6 @@ slipSystemLattice, & !< lookup t
colinearSystem !< colinear system to the active slip system (only valid for fcc!) colinearSystem !< colinear system to the active slip system (only valid for fcc!)
real(pReal), dimension(:), allocatable, private :: & real(pReal), dimension(:), allocatable, private :: &
CoverA, & !< c/a ratio for hex type lattice
mu, & !< shear modulus
nu, & !< poisson's ratio
atomicVolume, & !< atomic volume atomicVolume, & !< atomic volume
Dsd0, & !< prefactor for self-diffusion coefficient Dsd0, & !< prefactor for self-diffusion coefficient
selfDiffusionEnergy, & !< activation enthalpy for diffusion selfDiffusionEnergy, & !< activation enthalpy for diffusion
@ -153,7 +144,6 @@ burgers, & !< absolute
interactionSlipSlip !< coefficients for slip-slip interaction for each interaction type and instance interactionSlipSlip !< coefficients for slip-slip interaction for each interaction type and instance
real(pReal), dimension(:,:,:), allocatable, private :: & real(pReal), dimension(:,:,:), allocatable, private :: &
Cslip66, & !< elasticity matrix in Mandel notation for each instance
minDipoleHeightPerSlipFamily, & !< minimum stable edge/screw dipole height for each family and instance minDipoleHeightPerSlipFamily, & !< minimum stable edge/screw dipole height for each family and instance
minDipoleHeight, & !< minimum stable edge/screw dipole height for each slip system and instance minDipoleHeight, & !< minimum stable edge/screw dipole height for each slip system and instance
peierlsStressPerSlipFamily, & !< Peierls stress (edge and screw) peierlsStressPerSlipFamily, & !< Peierls stress (edge and screw)
@ -168,7 +158,6 @@ rhoDotEdgeJogsOutput, &
sourceProbability sourceProbability
real(pReal), dimension(:,:,:,:,:), allocatable, private :: & real(pReal), dimension(:,:,:,:,:), allocatable, private :: &
Cslip3333, & !< elasticity matrix for each instance
rhoDotFluxOutput, & rhoDotFluxOutput, &
rhoDotMultiplicationOutput, & rhoDotMultiplicationOutput, &
rhoDotSingle2DipoleGlideOutput, & rhoDotSingle2DipoleGlideOutput, &
@ -280,7 +269,6 @@ public :: &
constitutive_nonlocal_init, & constitutive_nonlocal_init, &
constitutive_nonlocal_stateInit, & constitutive_nonlocal_stateInit, &
constitutive_nonlocal_aTolState, & constitutive_nonlocal_aTolState, &
constitutive_nonlocal_homogenizedC, &
constitutive_nonlocal_microstructure, & constitutive_nonlocal_microstructure, &
constitutive_nonlocal_LpAndItsTangent, & constitutive_nonlocal_LpAndItsTangent, &
constitutive_nonlocal_dotState, & constitutive_nonlocal_dotState, &
@ -338,11 +326,9 @@ integer(pInt), intent(in) :: fileUnit
integer(pInt), parameter :: MAXNCHUNKS = LATTICE_maxNinteraction + 1_pInt integer(pInt), parameter :: MAXNCHUNKS = LATTICE_maxNinteraction + 1_pInt
integer(pInt), & integer(pInt), &
dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions
integer(pInt), dimension(7) :: configNchunks integer(pInt) :: phase = 0_pInt, &
integer(pInt) :: section = 0_pInt, &
maxNinstances, & maxNinstances, &
maxTotalNslip, & maxTotalNslip, &
structID, &
f, & ! index of my slip family f, & ! index of my slip family
instance, & ! index of my instance of this plasticity instance, & ! index of my instance of this plasticity
l, & l, &
@ -358,8 +344,6 @@ integer(pInt) :: section = 0_pInt, &
Nchunks_SlipFamilies = 0_pInt, & Nchunks_SlipFamilies = 0_pInt, &
Nchunks_nonSchmid = 0_pInt, & Nchunks_nonSchmid = 0_pInt, &
mySize = 0_pInt ! to suppress warnings, safe as init is called only once mySize = 0_pInt ! to suppress warnings, safe as init is called only once
character(len=32) :: &
structure = ''
character(len=65536) :: & character(len=65536) :: &
tag = '', & tag = '', &
line = '' line = ''
@ -386,15 +370,10 @@ allocate(Noutput(maxNinstances),
allocate(constitutive_nonlocal_output(maxval(phase_Noutput), maxNinstances)) allocate(constitutive_nonlocal_output(maxval(phase_Noutput), maxNinstances))
constitutive_nonlocal_output = '' constitutive_nonlocal_output = ''
allocate(constitutive_nonlocal_outputID(maxval(phase_Noutput), maxNinstances), source=undefined_ID) allocate(constitutive_nonlocal_outputID(maxval(phase_Noutput), maxNinstances), source=undefined_ID)
allocate(constitutive_nonlocal_structureID(maxNinstances), source=LATTICE_undefined_ID)
allocate(constitutive_nonlocal_structure(maxNinstances), source=0_pInt)
allocate(Nslip(lattice_maxNslipFamily,maxNinstances), source=0_pInt) allocate(Nslip(lattice_maxNslipFamily,maxNinstances), source=0_pInt)
allocate(slipFamily(lattice_maxNslip,maxNinstances), source=0_pInt) allocate(slipFamily(lattice_maxNslip,maxNinstances), source=0_pInt)
allocate(slipSystemLattice(lattice_maxNslip,maxNinstances), source=0_pInt) allocate(slipSystemLattice(lattice_maxNslip,maxNinstances), source=0_pInt)
allocate(totalNslip(maxNinstances), source=0_pInt) allocate(totalNslip(maxNinstances), source=0_pInt)
allocate(CoverA(maxNinstances), source=0.0_pReal)
allocate(mu(maxNinstances), source=0.0_pReal)
allocate(nu(maxNinstances), source=0.0_pReal)
allocate(atomicVolume(maxNinstances), source=0.0_pReal) allocate(atomicVolume(maxNinstances), source=0.0_pReal)
allocate(Dsd0(maxNinstances), source=-1.0_pReal) allocate(Dsd0(maxNinstances), source=-1.0_pReal)
allocate(selfDiffusionEnergy(maxNinstances), source=0.0_pReal) allocate(selfDiffusionEnergy(maxNinstances), source=0.0_pReal)
@ -402,8 +381,6 @@ allocate(aTolRho(maxNinstances), source=0.0_pReal)
allocate(aTolShear(maxNinstances), source=0.0_pReal) allocate(aTolShear(maxNinstances), source=0.0_pReal)
allocate(significantRho(maxNinstances), source=0.0_pReal) allocate(significantRho(maxNinstances), source=0.0_pReal)
allocate(significantN(maxNinstances), source=0.0_pReal) allocate(significantN(maxNinstances), source=0.0_pReal)
allocate(Cslip66(6,6,maxNinstances), source=0.0_pReal)
allocate(Cslip3333(3,3,3,3,maxNinstances), source=0.0_pReal)
allocate(cutoffRadius(maxNinstances), source=-1.0_pReal) allocate(cutoffRadius(maxNinstances), source=-1.0_pReal)
allocate(doublekinkwidth(maxNinstances), source=0.0_pReal) allocate(doublekinkwidth(maxNinstances), source=0.0_pReal)
allocate(solidSolutionEnergy(maxNinstances), source=0.0_pReal) allocate(solidSolutionEnergy(maxNinstances), source=0.0_pReal)
@ -439,31 +416,37 @@ allocate(peierlsStressPerSlipFamily(lattice_maxNslipFamily,2,maxNinstances), s
allocate(nonSchmidCoeff(lattice_maxNnonSchmid,maxNinstances), source=0.0_pReal) allocate(nonSchmidCoeff(lattice_maxNnonSchmid,maxNinstances), source=0.0_pReal)
!*** readout data from material.config file
rewind(fileUnit) rewind(fileUnit)
phase = 0_pInt
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= MATERIAL_partPhase) ! wind forward to <phase> do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= MATERIAL_partPhase) ! wind forward to <phase>
line = IO_read(fileUnit) line = IO_read(fileUnit)
enddo enddo
do while (trim(line) /= IO_EOF) ! read thru sections of phase part parsingFile: do while (trim(line) /= IO_EOF) ! read through phases of phase part
line = IO_read(fileUnit) line = IO_read(fileUnit)
if (IO_isBlank(line)) cycle ! skip empty lines if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') then if (IO_getTag(line,'<','>') /= '') then ! stop at next part
line = IO_read(fileUnit, .true.) ! reset IO_read line = IO_read(fileUnit, .true.) ! reset IO_read
exit exit
endif endif
if (IO_getTag(line,'[',']') /= '') then ! next section if (IO_getTag(line,'[',']') /= '') then ! next phase
section = section + 1_pInt ! advance section counter phase = phase + 1_pInt ! advance phase section counter
if (phase_plasticity(phase) == PLASTICITY_NONLOCAL_ID) then
Nchunks_SlipFamilies = count(lattice_NslipSystem(:,phase) > 0_pInt)
Nchunks_SlipSlip = maxval(lattice_InteractionSlipSlip(:,:,phase))
Nchunks_nonSchmid = lattice_NnonSchmid(phase)
endif
cycle cycle
endif endif
if (section > 0_pInt ) then ! do not short-circuit here (.and. with next if statement). It's not safe in Fortran if (phase > 0_pInt ) then; if (phase_plasticity(phase) == PLASTICITY_NONLOCAL_ID) then ! one of my phases. do not short-circuit here (.and. with next if statement). It's not safe in Fortran
if (phase_plasticity(section) == PLASTICITY_NONLOCAL_ID) then ! one of my sections instance = phase_plasticityInstance(phase) ! which instance of my plasticity is present phase
instance = phase_plasticityInstance(section) ! which instance of my plasticity is present phase
positions = IO_stringPos(line,MAXNCHUNKS) positions = IO_stringPos(line,MAXNCHUNKS)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag) select case(tag)
case('plasticity','elasticity','/nonlocal/') case ('plasticity','elasticity','lattice_structure', &
'covera_ratio','c/a_ratio','c/a', &
'c11','c12','c13','c22','c23','c33','c44','c55','c66',&
'/nonlocal/')
cycle cycle
case ('(output)') case ('(output)')
Noutput(instance) = Noutput(instance) + 1_pInt Noutput(instance) = Noutput(instance) + 1_pInt
@ -640,44 +623,6 @@ do while (trim(line) /= IO_EOF)
case default case default
call IO_error(105_pInt,ext_msg=IO_stringValue(line,positions,2_pInt)//' ('//PLASTICITY_NONLOCAL_label//')') call IO_error(105_pInt,ext_msg=IO_stringValue(line,positions,2_pInt)//' ('//PLASTICITY_NONLOCAL_label//')')
end select end select
case ('lattice_structure')
structure = IO_lc(IO_stringValue(line,positions,2_pInt))
select case(structure(1:3))
case(LATTICE_iso_label)
constitutive_nonlocal_structureID(instance) = LATTICE_iso_ID
case(LATTICE_fcc_label)
constitutive_nonlocal_structureID(instance) = LATTICE_fcc_ID
case(LATTICE_bcc_label)
constitutive_nonlocal_structureID(instance) = LATTICE_bcc_ID
case(LATTICE_hex_label)
constitutive_nonlocal_structureID(instance) = LATTICE_hex_ID
case(LATTICE_ort_label)
constitutive_nonlocal_structureID(instance) = LATTICE_ort_ID
end select
configNchunks = lattice_configNchunks(constitutive_nonlocal_structureID(instance))
Nchunks_SlipFamilies = configNchunks(1)
Nchunks_SlipSlip = configNchunks(3)
Nchunks_nonSchmid = configNchunks(7)
case ('c/a_ratio','covera_ratio')
CoverA(instance) = IO_floatValue(line,positions,2_pInt)
case ('c11')
Cslip66(1,1,instance) = IO_floatValue(line,positions,2_pInt)
case ('c12')
Cslip66(1,2,instance) = IO_floatValue(line,positions,2_pInt)
case ('c13')
Cslip66(1,3,instance) = IO_floatValue(line,positions,2_pInt)
case ('c22')
Cslip66(2,2,instance) = IO_floatValue(line,positions,2_pInt)
case ('c23')
Cslip66(2,3,instance) = IO_floatValue(line,positions,2_pInt)
case ('c33')
Cslip66(3,3,instance) = IO_floatValue(line,positions,2_pInt)
case ('c44')
Cslip66(4,4,instance) = IO_floatValue(line,positions,2_pInt)
case ('c55')
Cslip66(5,5,instance) = IO_floatValue(line,positions,2_pInt)
case ('c66')
Cslip66(6,6,instance) = IO_floatValue(line,positions,2_pInt)
case ('nslip') case ('nslip')
if (positions(1) < 1_pInt + Nchunks_SlipFamilies) & if (positions(1) < 1_pInt + Nchunks_SlipFamilies) &
call IO_warning(50_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_NONLOCAL_LABEL//')') call IO_warning(50_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_NONLOCAL_LABEL//')')
@ -802,22 +747,11 @@ do while (trim(line) /= IO_EOF)
case default case default
call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_NONLOCAL_label//')') call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_NONLOCAL_label//')')
end select end select
endif endif; endif
endif enddo parsingFile
enddo
sanityChecks: do phase = 1_pInt, size(phase_plasticity)
do instance = 1_pInt,maxNinstances myPhase: if (phase_plasticity(phase) == PLASTICITY_NONLOCAL_ID) then
constitutive_nonlocal_structure(instance) = &
lattice_initializeStructure(constitutive_nonlocal_structureID(instance), CoverA(instance)) ! our lattice structure is defined in the material.config file by the structureName (and the c/a ratio)
structID = constitutive_nonlocal_structure(instance)
!*** sanity checks
if (structID < 1_pInt) &
call IO_error(205_pInt,el=instance)
if (sum(Nslip(:,instance)) <= 0_pInt) & if (sum(Nslip(:,instance)) <= 0_pInt) &
call IO_error(211_pInt,ext_msg='Nslip ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='Nslip ('//PLASTICITY_NONLOCAL_label//')')
do o = 1_pInt,maxval(phase_Noutput) do o = 1_pInt,maxval(phase_Noutput)
@ -852,7 +786,7 @@ do instance = 1_pInt,maxNinstances
call IO_error(211_pInt,ext_msg='peierlsStressScrew ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='peierlsStressScrew ('//PLASTICITY_NONLOCAL_label//')')
endif endif
enddo enddo
if (any(interactionSlipSlip(1:maxval(lattice_interactionSlipSlip(:,:,structID)),instance) < 0.0_pReal)) & if (any(interactionSlipSlip(1:maxval(lattice_interactionSlipSlip(:,:,phase)),instance) < 0.0_pReal)) &
call IO_error(211_pInt,ext_msg='interaction_SlipSlip ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='interaction_SlipSlip ('//PLASTICITY_NONLOCAL_label//')')
if (linetensionEffect(instance) < 0.0_pReal .or. linetensionEffect(instance) > 1.0_pReal) & if (linetensionEffect(instance) < 0.0_pReal .or. linetensionEffect(instance) > 1.0_pReal) &
call IO_error(211_pInt,ext_msg='linetension ('//PLASTICITY_NONLOCAL_label//')') call IO_error(211_pInt,ext_msg='linetension ('//PLASTICITY_NONLOCAL_label//')')
@ -907,12 +841,11 @@ do instance = 1_pInt,maxNinstances
!*** determine total number of active slip systems !*** determine total number of active slip systems
Nslip(1:lattice_maxNslipFamily,instance) = min(lattice_NslipSystem(1:lattice_maxNslipFamily,phase), &
Nslip(1:lattice_maxNslipFamily,instance) = min(lattice_NslipSystem(1:lattice_maxNslipFamily,structID), &
Nslip(1:lattice_maxNslipFamily,instance) ) ! we can't use more slip systems per family than specified in lattice Nslip(1:lattice_maxNslipFamily,instance) ) ! we can't use more slip systems per family than specified in lattice
totalNslip(instance) = sum(Nslip(1:lattice_maxNslipFamily,instance)) totalNslip(instance) = sum(Nslip(1:lattice_maxNslipFamily,instance))
endif myPhase
enddo enddo sanityChecks
!*** allocation of variables whose size depends on the total number of active slip systems !*** allocation of variables whose size depends on the total number of active slip systems
@ -959,11 +892,8 @@ allocate(colinearSystem(maxTotalNslip,maxNinstances),
allocate(nonSchmidProjection(3,3,4,maxTotalNslip,maxNinstances), source=0.0_pReal) allocate(nonSchmidProjection(3,3,4,maxTotalNslip,maxNinstances), source=0.0_pReal)
instancesLoop: do instance = 1,maxNinstances initializeInstances: do phase = 1_pInt, size(phase_plasticity)
if (phase_plasticity(phase) == PLASTICITY_NONLOCAL_ID) then
structID = constitutive_nonlocal_structure(instance) ! lattice structure of this instance
!*** Inverse lookup of my slip system family and the slip system in lattice !*** Inverse lookup of my slip system family and the slip system in lattice
l = 0_pInt l = 0_pInt
@ -971,7 +901,7 @@ instancesLoop: do instance = 1,maxNinstances
do s = 1_pInt,Nslip(f,instance) do s = 1_pInt,Nslip(f,instance)
l = l + 1_pInt l = l + 1_pInt
slipFamily(l,instance) = f slipFamily(l,instance) = f
slipSystemLattice(l,instance) = sum(lattice_NslipSystem(1:f-1_pInt, structID)) + s slipSystemLattice(l,instance) = sum(lattice_NslipSystem(1:f-1_pInt, phase)) + s
enddo; enddo enddo; enddo
@ -1136,16 +1066,6 @@ instancesLoop: do instance = 1,maxNinstances
endif endif
enddo outputsLoop enddo outputsLoop
!*** elasticity matrix and shear modulus according to material.config
Cslip66(:,:,instance) = lattice_symmetrizeC66(constitutive_nonlocal_structureID(instance), Cslip66(:,:,instance))
mu(instance) = 0.2_pReal * (Cslip66(1,1,instance) - Cslip66(1,2,instance) + 3.0_pReal*Cslip66(4,4,instance)) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
nu(instance) = (Cslip66(1,1,instance) + 4.0_pReal*Cslip66(1,2,instance) - 2.0_pReal*Cslip66(4,4,instance)) &
/ (4.0_pReal*Cslip66(1,1,instance) + 6.0_pReal*Cslip66(1,2,instance) + 2.0_pReal*Cslip66(4,4,instance)) ! C12iso/(C11iso+C12iso) with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
Cslip66(1:6,1:6,instance) = math_Mandel3333to66(math_Voigt66to3333(Cslip66(1:6,1:6,instance)))
Cslip3333(1:3,1:3,1:3,1:3,instance) = math_Voigt66to3333(Cslip66(1:6,1:6,instance))
do s1 = 1_pInt,ns do s1 = 1_pInt,ns
f = slipFamily(s1,instance) f = slipFamily(s1,instance)
@ -1161,25 +1081,25 @@ instancesLoop: do instance = 1,maxNinstances
!*** calculation of forest projections for edge and screw dislocations. s2 acts as forest for s1 !*** calculation of forest projections for edge and screw dislocations. s2 acts as forest for s1
forestProjectionEdge(s1,s2,instance) & forestProjectionEdge(s1,s2,instance) &
= abs(math_mul3x3(lattice_sn(1:3,slipSystemLattice(s1,instance),structID), & = abs(math_mul3x3(lattice_sn(1:3,slipSystemLattice(s1,instance),phase), &
lattice_st(1:3,slipSystemLattice(s2,instance),structID))) ! forest projection of edge dislocations is the projection of (t = b x n) onto the slip normal of the respective slip plane lattice_st(1:3,slipSystemLattice(s2,instance),phase))) ! forest projection of edge dislocations is the projection of (t = b x n) onto the slip normal of the respective slip plane
forestProjectionScrew(s1,s2,instance) & forestProjectionScrew(s1,s2,instance) &
= abs(math_mul3x3(lattice_sn(1:3,slipSystemLattice(s1,instance),structID), & = abs(math_mul3x3(lattice_sn(1:3,slipSystemLattice(s1,instance),phase), &
lattice_sd(1:3,slipSystemLattice(s2,instance),structID))) ! forest projection of screw dislocations is the projection of b onto the slip normal of the respective splip plane lattice_sd(1:3,slipSystemLattice(s2,instance),phase))) ! forest projection of screw dislocations is the projection of b onto the slip normal of the respective splip plane
!*** calculation of interaction matrices !*** calculation of interaction matrices
interactionMatrixSlipSlip(s1,s2,instance) & interactionMatrixSlipSlip(s1,s2,instance) &
= interactionSlipSlip(lattice_interactionSlipSlip(slipSystemLattice(s1,instance), & = interactionSlipSlip(lattice_interactionSlipSlip(slipSystemLattice(s1,instance), &
slipSystemLattice(s2,instance), & slipSystemLattice(s2,instance), &
structID), instance) phase), instance)
!*** colinear slip system (only makes sense for fcc like it is defined here) !*** colinear slip system (only makes sense for fcc like it is defined here)
if (lattice_interactionSlipSlip(slipSystemLattice(s1,instance), & if (lattice_interactionSlipSlip(slipSystemLattice(s1,instance), &
slipSystemLattice(s2,instance), & slipSystemLattice(s2,instance), &
structID) == 3_pInt) then phase) == 3_pInt) then
colinearSystem(s1,instance) = s2 colinearSystem(s1,instance) = s2
endif endif
@ -1188,9 +1108,9 @@ instancesLoop: do instance = 1,maxNinstances
!*** rotation matrix from lattice configuration to slip system !*** rotation matrix from lattice configuration to slip system
lattice2slip(1:3,1:3,s1,instance) & lattice2slip(1:3,1:3,s1,instance) &
= math_transpose33( reshape([ lattice_sd(1:3, slipSystemLattice(s1,instance), structID), & = math_transpose33( reshape([ lattice_sd(1:3, slipSystemLattice(s1,instance), phase), &
-lattice_st(1:3, slipSystemLattice(s1,instance), structID), & -lattice_st(1:3, slipSystemLattice(s1,instance), phase), &
lattice_sn(1:3, slipSystemLattice(s1,instance), structID)], [3,3])) lattice_sn(1:3, slipSystemLattice(s1,instance), phase)], [3,3]))
enddo enddo
@ -1202,25 +1122,24 @@ instancesLoop: do instance = 1,maxNinstances
!* 4) negative screw at negative resolved stress !* 4) negative screw at negative resolved stress
do s = 1_pInt,ns do s = 1_pInt,ns
do l = 1_pInt,lattice_NnonSchmid(structID) do l = 1_pInt,lattice_NnonSchmid(phase)
nonSchmidProjection(1:3,1:3,1,s,instance) = nonSchmidProjection(1:3,1:3,1,s,instance) & nonSchmidProjection(1:3,1:3,1,s,instance) = nonSchmidProjection(1:3,1:3,1,s,instance) &
+ nonSchmidCoeff(l,instance) * lattice_Sslip(1:3,1:3,2*l,slipSystemLattice(s,instance),structID) + nonSchmidCoeff(l,instance) * lattice_Sslip(1:3,1:3,2*l,slipSystemLattice(s,instance),phase)
nonSchmidProjection(1:3,1:3,2,s,instance) = nonSchmidProjection(1:3,1:3,2,s,instance) & nonSchmidProjection(1:3,1:3,2,s,instance) = nonSchmidProjection(1:3,1:3,2,s,instance) &
+ nonSchmidCoeff(l,instance) * lattice_Sslip(1:3,1:3,2*l+1,slipSystemLattice(s,instance),structID) + nonSchmidCoeff(l,instance) * lattice_Sslip(1:3,1:3,2*l+1,slipSystemLattice(s,instance),phase)
enddo enddo
nonSchmidProjection(1:3,1:3,3,s,instance) = -nonSchmidProjection(1:3,1:3,2,s,instance) nonSchmidProjection(1:3,1:3,3,s,instance) = -nonSchmidProjection(1:3,1:3,2,s,phase)
nonSchmidProjection(1:3,1:3,4,s,instance) = -nonSchmidProjection(1:3,1:3,1,s,instance) nonSchmidProjection(1:3,1:3,4,s,instance) = -nonSchmidProjection(1:3,1:3,1,s,phase)
forall (t = 1:4) & forall (t = 1:4) &
nonSchmidProjection(1:3,1:3,t,s,instance) = nonSchmidProjection(1:3,1:3,t,s,instance) & nonSchmidProjection(1:3,1:3,t,s,instance) = nonSchmidProjection(1:3,1:3,t,s,phase) &
+ lattice_Sslip(1:3,1:3,1,slipSystemLattice(s,instance),structID) + lattice_Sslip(1:3,1:3,1,slipSystemLattice(s,instance),phase)
enddo enddo
endif
enddo instancesLoop enddo initializeInstances
end subroutine constitutive_nonlocal_init end subroutine constitutive_nonlocal_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief sets the initial microstructural state for a given instance of this plasticity !> @brief sets the initial microstructural state for a given instance of this plasticity
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -1354,7 +1273,6 @@ end subroutine constitutive_nonlocal_stateInit
pure function constitutive_nonlocal_aTolState(instance) pure function constitutive_nonlocal_aTolState(instance)
implicit none implicit none
!*** input variables !*** input variables
integer(pInt), intent(in) :: instance ! number specifying the current instance of the plasticity integer(pInt), intent(in) :: instance ! number specifying the current instance of the plasticity
@ -1378,33 +1296,6 @@ constitutive_nonlocal_aTolState(iGamma(1:ns,instance)) = aTolShear(instance)
end function constitutive_nonlocal_aTolState end function constitutive_nonlocal_aTolState
!--------------------------------------------------------------------------------------------------
!> @brief returns the homogenized elasticity matrix
!--------------------------------------------------------------------------------------------------
pure function constitutive_nonlocal_homogenizedC(ipc,ip,el)
use mesh, only: &
mesh_NcpElems, &
mesh_maxNips
use material, only: &
homogenization_maxNgrains, &
material_phase, &
phase_plasticityInstance
implicit none
integer(pInt), intent(in) :: &
ipc, & ! current grain ID
ip, & ! current integration point
el ! current element
real(pReal), dimension(6,6) :: &
constitutive_nonlocal_homogenizedC
constitutive_nonlocal_homogenizedC = &
Cslip66(1:6,1:6,phase_plasticityInstance(material_phase(ipc,ip,el)))
end function constitutive_nonlocal_homogenizedC
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates quantities characterizing the microstructure !> @brief calculates quantities characterizing the microstructure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -1448,7 +1339,12 @@ use material, only: &
phase_plasticityInstance phase_plasticityInstance
use lattice, only: & use lattice, only: &
lattice_sd, & lattice_sd, &
lattice_st lattice_st, &
lattice_mu, &
lattice_nu, &
lattice_structure, &
LATTICE_bcc_ID, &
LATTICE_fcc_ID
implicit none implicit none
@ -1471,8 +1367,6 @@ integer(pInt) neighbor_el, & ! element number o
neighbor_ip, & ! integration point of neighboring material point neighbor_ip, & ! integration point of neighboring material point
instance, & ! my instance of this plasticity instance, & ! my instance of this plasticity
neighbor_instance, & ! instance of this plasticity of neighboring material point neighbor_instance, & ! instance of this plasticity of neighboring material point
structID, & ! my lattice structure
neighbor_structID, & ! lattice structure of neighboring material point
phase, & phase, &
neighbor_phase, & neighbor_phase, &
ns, & ! total number of active slip systems at my material point ns, & ! total number of active slip systems at my material point
@ -1524,7 +1418,6 @@ logical inversionError
phase = material_phase(gr,ip,el) phase = material_phase(gr,ip,el)
instance = phase_plasticityInstance(phase) instance = phase_plasticityInstance(phase)
structID = constitutive_nonlocal_structure(instance)
ns = totalNslip(instance) ns = totalNslip(instance)
@ -1561,7 +1454,7 @@ forall (s = 1_pInt:ns) &
myInteractionMatrix = 0.0_pReal myInteractionMatrix = 0.0_pReal
myInteractionMatrix(1:ns,1:ns) = interactionMatrixSlipSlip(1:ns,1:ns,instance) myInteractionMatrix(1:ns,1:ns) = interactionMatrixSlipSlip(1:ns,1:ns,instance)
if (structID < 3_pInt) then ! only fcc and bcc if (lattice_structure(phase) == LATTICE_bcc_ID .or. lattice_structure(phase) == LATTICE_fcc_ID) then ! only fcc and bcc
do s = 1_pInt,ns do s = 1_pInt,ns
myRhoForest = max(rhoForest(s),significantRho(instance)) myRhoForest = max(rhoForest(s),significantRho(instance))
correction = ( 1.0_pReal - linetensionEffect(instance) & correction = ( 1.0_pReal - linetensionEffect(instance) &
@ -1572,7 +1465,7 @@ if (structID < 3_pInt) then
enddo enddo
endif endif
forall (s = 1_pInt:ns) & forall (s = 1_pInt:ns) &
tauThreshold(s) = mu(instance) * burgers(s,instance) & tauThreshold(s) = lattice_mu(phase) * burgers(s,instance) &
* sqrt(dot_product((sum(abs(rhoSgl),2) + sum(abs(rhoDip),2)), myInteractionMatrix(s,1:ns))) * sqrt(dot_product((sum(abs(rhoSgl),2) + sum(abs(rhoDip),2)), myInteractionMatrix(s,1:ns)))
@ -1599,11 +1492,9 @@ if (.not. phase_localPlasticity(phase) .and. shortRangeStressCorrection(instance
if (neighbor_el > 0 .and. neighbor_ip > 0) then if (neighbor_el > 0 .and. neighbor_ip > 0) then
neighbor_phase = material_phase(gr,neighbor_ip,neighbor_el) neighbor_phase = material_phase(gr,neighbor_ip,neighbor_el)
neighbor_instance = phase_plasticityInstance(neighbor_phase) neighbor_instance = phase_plasticityInstance(neighbor_phase)
neighbor_structID = constitutive_nonlocal_structure(neighbor_instance)
neighbor_ns = totalNslip(neighbor_instance) neighbor_ns = totalNslip(neighbor_instance)
if (.not. phase_localPlasticity(neighbor_phase) & if (.not. phase_localPlasticity(neighbor_phase) &
.and. neighbor_structID == structID & .and. neighbor_instance == instance) then ! same instance should be same structure
.and. neighbor_instance == instance) then
if (neighbor_ns == ns) then if (neighbor_ns == ns) then
nRealNeighbors = nRealNeighbors + 1_pInt nRealNeighbors = nRealNeighbors + 1_pInt
forall (s = 1_pInt:ns, c = 1_pInt:2_pInt) forall (s = 1_pInt:ns, c = 1_pInt:2_pInt)
@ -1646,8 +1537,8 @@ if (.not. phase_localPlasticity(phase) .and. shortRangeStressCorrection(instance
!* 1. interpolation of the excess density in the neighorhood !* 1. interpolation of the excess density in the neighorhood
!* 2. interpolation of the dead dislocation density in the central volume !* 2. interpolation of the dead dislocation density in the central volume
m(1:3,1:ns,1) = lattice_sd(1:3,slipSystemLattice(1:ns,instance),structID) m(1:3,1:ns,1) = lattice_sd(1:3,slipSystemLattice(1:ns,instance),phase)
m(1:3,1:ns,2) = -lattice_st(1:3,slipSystemLattice(1:ns,instance),structID) m(1:3,1:ns,2) = -lattice_st(1:3,slipSystemLattice(1:ns,instance),phase)
do s = 1_pInt,ns do s = 1_pInt,ns
@ -1681,17 +1572,15 @@ if (.not. phase_localPlasticity(phase) .and. shortRangeStressCorrection(instance
rhoExcessGradient_over_rho = 0.0_pReal rhoExcessGradient_over_rho = 0.0_pReal
forall (c = 1_pInt:2_pInt) & forall (c = 1_pInt:2_pInt) &
rhoTotal(c) = (sum(abs(rhoSgl(s,[2*c-1,2*c,2*c+3,2*c+4]))) + rhoDip(s,c) & rhoTotal(c) = (sum(abs(rhoSgl(s,[2*c-1,2*c,2*c+3,2*c+4]))) + rhoDip(s,c) + sum(neighbor_rhoTotal(c,s,:))) &
+ sum(neighbor_rhoTotal(c,s,:))) &
/ real(1_pInt + nRealNeighbors,pReal) / real(1_pInt + nRealNeighbors,pReal)
forall (c = 1_pInt:2_pInt, rhoTotal(c) > 0.0_pReal) & forall (c = 1_pInt:2_pInt, rhoTotal(c) > 0.0_pReal) &
rhoExcessGradient_over_rho(c) = rhoExcessGradient(c) / rhoTotal(c) rhoExcessGradient_over_rho(c) = rhoExcessGradient(c) / rhoTotal(c)
!* gives the local stress correction when multiplied with a factor !* gives the local stress correction when multiplied with a factor
tauBack(s) = - mu(instance) * burgers(s,instance) / (2.0_pReal * pi) & tauBack(s) = - lattice_mu(phase) * burgers(s,instance) / (2.0_pReal * pi) &
* (rhoExcessGradient_over_rho(1) / (1.0_pReal - nu(instance)) & * (rhoExcessGradient_over_rho(1) / (1.0_pReal - lattice_nu(phase)) + rhoExcessGradient_over_rho(2))
+ rhoExcessGradient_over_rho(2))
enddo enddo
endif endif
@ -1926,7 +1815,7 @@ real(pReal), dimension(9,9), intent(out) :: dLp_dTstar99 !< deriv
!*** local variables !*** local variables
integer(pInt) instance, & !< current instance of this plasticity integer(pInt) instance, & !< current instance of this plasticity
structID, & !< current lattice structure phase, & !< phase
ns, & !< short notation for the total number of active slip systems ns, & !< short notation for the total number of active slip systems
i, & i, &
j, & j, &
@ -1955,8 +1844,8 @@ real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip
Lp = 0.0_pReal Lp = 0.0_pReal
dLp_dTstar3333 = 0.0_pReal dLp_dTstar3333 = 0.0_pReal
instance = phase_plasticityInstance(material_phase(ipc,ip,el)) phase = material_phase(ipc,ip,el)
structID = constitutive_nonlocal_structure(instance) instance = phase_plasticityInstance(phase)
ns = totalNslip(instance) ns = totalNslip(instance)
@ -1980,7 +1869,7 @@ tauThreshold = state%p(iTauF(1:ns,instance))
do s = 1_pInt,ns do s = 1_pInt,ns
sLattice = slipSystemLattice(s,instance) sLattice = slipSystemLattice(s,instance)
tau(s) = math_mul6x6(Tstar_v, lattice_Sslip_v(1:6,1,sLattice,structID)) tau(s) = math_mul6x6(Tstar_v, lattice_Sslip_v(1:6,1,sLattice,phase))
tauNS(s,1) = tau(s) tauNS(s,1) = tau(s)
tauNS(s,2) = tau(s) tauNS(s,2) = tau(s)
if (tau(s) > 0.0_pReal) then if (tau(s) > 0.0_pReal) then
@ -2007,7 +1896,7 @@ dv_dtau(1:ns,2) = dv_dtau(1:ns,1)
dv_dtauNS(1:ns,2) = dv_dtauNS(1:ns,1) dv_dtauNS(1:ns,2) = dv_dtauNS(1:ns,1)
!screws !screws
if (lattice_NnonSchmid(structID) == 0_pInt) then ! no non-Schmid contributions if (lattice_NnonSchmid(phase) == 0_pInt) then ! no non-Schmid contributions
forall(t = 3_pInt:4_pInt) forall(t = 3_pInt:4_pInt)
v(1:ns,t) = v(1:ns,1) v(1:ns,t) = v(1:ns,1)
dv_dtau(1:ns,t) = dv_dtau(1:ns,1) dv_dtau(1:ns,t) = dv_dtau(1:ns,1)
@ -2040,26 +1929,26 @@ gdotTotal = sum(rhoSgl(1:ns,1:4) * v, 2) * burgers(1:ns,instance)
do s = 1_pInt,ns do s = 1_pInt,ns
sLattice = slipSystemLattice(s,instance) sLattice = slipSystemLattice(s,instance)
Lp = Lp + gdotTotal(s) * lattice_Sslip(1:3,1:3,1,sLattice,structID) Lp = Lp + gdotTotal(s) * lattice_Sslip(1:3,1:3,1,sLattice,phase)
! Schmid contributions to tangent ! Schmid contributions to tangent
forall (i=1_pInt:3_pInt,j=1_pInt:3_pInt,k=1_pInt:3_pInt,l=1_pInt:3_pInt) & forall (i=1_pInt:3_pInt,j=1_pInt:3_pInt,k=1_pInt:3_pInt,l=1_pInt:3_pInt) &
dLp_dTstar3333(i,j,k,l) = dLp_dTstar3333(i,j,k,l) & dLp_dTstar3333(i,j,k,l) = dLp_dTstar3333(i,j,k,l) &
+ lattice_Sslip(i,j,1,sLattice,structID) * lattice_Sslip(k,l,1,sLattice,structID) & + lattice_Sslip(i,j,1,sLattice,phase) * lattice_Sslip(k,l,1,sLattice,phase) &
* sum(rhoSgl(s,1:4) * dv_dtau(s,1:4)) * burgers(s,instance) * sum(rhoSgl(s,1:4) * dv_dtau(s,1:4)) * burgers(s,instance)
! non Schmid contributions to tangent ! non Schmid contributions to tangent
if (tau(s) > 0.0_pReal) then if (tau(s) > 0.0_pReal) then
forall (i=1_pInt:3_pInt,j=1_pInt:3_pInt,k=1_pInt:3_pInt,l=1_pInt:3_pInt) & forall (i=1_pInt:3_pInt,j=1_pInt:3_pInt,k=1_pInt:3_pInt,l=1_pInt:3_pInt) &
dLp_dTstar3333(i,j,k,l) = dLp_dTstar3333(i,j,k,l) & dLp_dTstar3333(i,j,k,l) = dLp_dTstar3333(i,j,k,l) &
+ lattice_Sslip(i,j,1,sLattice,structID) & + lattice_Sslip(i,j,1,sLattice,phase) &
* ( nonSchmidProjection(k,l,1,s,instance) * rhoSgl(s,3) * dv_dtauNS(s,3) & * ( nonSchmidProjection(k,l,1,s,instance) * rhoSgl(s,3) * dv_dtauNS(s,3) &
+ nonSchmidProjection(k,l,3,s,instance) * rhoSgl(s,4) * dv_dtauNS(s,4) ) & + nonSchmidProjection(k,l,3,s,instance) * rhoSgl(s,4) * dv_dtauNS(s,4) ) &
* burgers(s,instance) * burgers(s,instance)
else else
forall (i=1_pInt:3_pInt,j=1_pInt:3_pInt,k=1_pInt:3_pInt,l=1_pInt:3_pInt) & forall (i=1_pInt:3_pInt,j=1_pInt:3_pInt,k=1_pInt:3_pInt,l=1_pInt:3_pInt) &
dLp_dTstar3333(i,j,k,l) = dLp_dTstar3333(i,j,k,l) & dLp_dTstar3333(i,j,k,l) = dLp_dTstar3333(i,j,k,l) &
+ lattice_Sslip(i,j,1,sLattice,structID) & + lattice_Sslip(i,j,1,sLattice,phase) &
* ( nonSchmidProjection(k,l,2,s,instance) * rhoSgl(s,3) * dv_dtauNS(s,3) & * ( nonSchmidProjection(k,l,2,s,instance) * rhoSgl(s,3) * dv_dtauNS(s,3) &
+ nonSchmidProjection(k,l,4,s,instance) * rhoSgl(s,4) * dv_dtauNS(s,4) ) & + nonSchmidProjection(k,l,4,s,instance) * rhoSgl(s,4) * dv_dtauNS(s,4) ) &
* burgers(s,instance) * burgers(s,instance)
@ -2098,7 +1987,9 @@ use debug, only: debug_level, &
debug_e debug_e
use math, only: pi, & use math, only: pi, &
math_mul6x6 math_mul6x6
use lattice, only: lattice_Sslip_v use lattice, only: lattice_Sslip_v ,&
lattice_mu, &
lattice_nu
use mesh, only: mesh_NcpElems, & use mesh, only: mesh_NcpElems, &
mesh_maxNips, & mesh_maxNips, &
mesh_ipVolume mesh_ipVolume
@ -2122,8 +2013,8 @@ type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), in
type(p_vec), intent(out) :: deltaState ! change of state variables / microstructure type(p_vec), intent(out) :: deltaState ! change of state variables / microstructure
!*** local variables !*** local variables
integer(pInt) instance, & ! current instance of this plasticity integer(pInt) phase, &
structID, & ! current lattice structure instance, & ! current instance of this plasticity
ns, & ! short notation for the total number of active slip systems ns, & ! short notation for the total number of active slip systems
c, & ! character of dislocation c, & ! character of dislocation
t, & ! type of dislocation t, & ! type of dislocation
@ -2158,8 +2049,8 @@ real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip
endif endif
#endif #endif
instance = phase_plasticityInstance(material_phase(ipc,ip,el)) phase = material_phase(ipc,ip,el)
structID = constitutive_nonlocal_structure(instance) instance = phase_plasticityInstance(phase)
ns = totalNslip(instance) ns = totalNslip(instance)
@ -2211,13 +2102,13 @@ enddo
do s = 1_pInt,ns do s = 1_pInt,ns
sLattice = slipSystemLattice(s,instance) sLattice = slipSystemLattice(s,instance)
tau(s) = math_mul6x6(Tstar_v, lattice_Sslip_v(1:6,1,sLattice,structID)) + tauBack(s) tau(s) = math_mul6x6(Tstar_v, lattice_Sslip_v(1:6,1,sLattice,phase)) + tauBack(s)
if (abs(tau(s)) < 1.0e-15_pReal) tau(s) = 1.0e-15_pReal if (abs(tau(s)) < 1.0e-15_pReal) tau(s) = 1.0e-15_pReal
enddo enddo
dLower = minDipoleHeight(1:ns,1:2,instance) dLower = minDipoleHeight(1:ns,1:2,instance)
dUpper(1:ns,1) = mu(instance) * burgers(1:ns,instance) & dUpper(1:ns,1) = lattice_mu(phase) * burgers(1:ns,instance) &
/ (8.0_pReal * pi * (1.0_pReal - nu(instance)) * abs(tau)) / (8.0_pReal * pi * (1.0_pReal - lattice_nu(phase)) * abs(tau))
dUpper(1:ns,2) = mu(instance) * burgers(1:ns,instance) / (4.0_pReal * pi * abs(tau)) dUpper(1:ns,2) = lattice_mu(phase) * burgers(1:ns,instance) / (4.0_pReal * pi * abs(tau))
forall (c = 1_pInt:2_pInt) & forall (c = 1_pInt:2_pInt) &
dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) & dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) &
+ abs(rhoSgl(1:ns,2*c+3)) + abs(rhoSgl(1:ns,2*c+4)) + rhoDip(1:ns,c)), & + abs(rhoSgl(1:ns,2*c+3)) + abs(rhoSgl(1:ns,2*c+4)) + rhoDip(1:ns,c)), &
@ -2230,8 +2121,7 @@ deltaDUpper = dUpper - dUpperOld
deltaRhoDipole2SingleStress = 0.0_pReal deltaRhoDipole2SingleStress = 0.0_pReal
forall (c=1_pInt:2_pInt, s=1_pInt:ns, deltaDUpper(s,c) < 0.0_pReal) & forall (c=1_pInt:2_pInt, s=1_pInt:ns, deltaDUpper(s,c) < 0.0_pReal) &
deltaRhoDipole2SingleStress(s,8_pInt+c) = rhoDip(s,c) * deltaDUpper(s,c) & deltaRhoDipole2SingleStress(s,8_pInt+c) = rhoDip(s,c) * deltaDUpper(s,c) / (dUpperOld(s,c) - dLower(s,c))
/ (dUpperOld(s,c) - dLower(s,c))
forall (t=1_pInt:4_pInt) & forall (t=1_pInt:4_pInt) &
deltaRhoDipole2SingleStress(1_pInt:ns,t) = -0.5_pReal * deltaRhoDipole2SingleStress(1_pInt:ns,(t-1_pInt)/2_pInt+9_pInt) deltaRhoDipole2SingleStress(1_pInt:ns,t) = -0.5_pReal * deltaRhoDipole2SingleStress(1_pInt:ns,(t-1_pInt)/2_pInt+9_pInt)
@ -2264,10 +2154,8 @@ forall (s = 1:ns, c = 1_pInt:2_pInt) &
if (iand(debug_level(debug_constitutive),debug_levelExtensive) /= 0_pInt & if (iand(debug_level(debug_constitutive),debug_levelExtensive) /= 0_pInt &
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == ipc)& .and. ((debug_e == el .and. debug_i == ip .and. debug_g == ipc)&
.or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0_pInt )) then .or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0_pInt )) then
write(6,'(a,/,8(12x,12(e12.5,1x),/))') '<< CONST >> dislocation remobilization', & write(6,'(a,/,8(12x,12(e12.5,1x),/))') '<< CONST >> dislocation remobilization', deltaRhoRemobilization(1:ns,1:8)
deltaRhoRemobilization(1:ns,1:8) write(6,'(a,/,10(12x,12(e12.5,1x),/))') '<< CONST >> dipole dissociation by stress increase', deltaRhoDipole2SingleStress
write(6,'(a,/,10(12x,12(e12.5,1x),/))') '<< CONST >> dipole dissociation by stress increase', &
deltaRhoDipole2SingleStress
write(6,*) write(6,*)
endif endif
#endif #endif
@ -2320,7 +2208,12 @@ use material, only: homogenization_maxNgrains, &
PLASTICITY_NONLOCAL_ID PLASTICITY_NONLOCAL_ID
use lattice, only: lattice_Sslip_v, & use lattice, only: lattice_Sslip_v, &
lattice_sd, & lattice_sd, &
lattice_st lattice_st ,&
lattice_mu, &
lattice_nu, &
lattice_structure, &
LATTICE_bcc_ID, &
LATTICE_fcc_ID
implicit none implicit none
@ -2345,9 +2238,9 @@ real(pReal), dimension(constitutive_nonlocal_sizeDotState(phase_plasticityInstan
constitutive_nonlocal_dotState !< evolution of state variables / microstructure constitutive_nonlocal_dotState !< evolution of state variables / microstructure
!*** local variables !*** local variables
integer(pInt) instance, & !< current instance of this plasticity integer(pInt) :: phase, &
instance, & !< current instance of this plasticity
neighbor_instance, & !< instance of my neighbor's plasticity neighbor_instance, & !< instance of my neighbor's plasticity
structID, & !< current lattice structure
ns, & !< short notation for the total number of active slip systems ns, & !< short notation for the total number of active slip systems
c, & !< character of dislocation c, & !< character of dislocation
n, & !< index of my current neighbor n, & !< index of my current neighbor
@ -2423,9 +2316,8 @@ logical considerEnteringFlux, &
endif endif
#endif #endif
phase = material_phase(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el)) instance = phase_plasticityInstance(phase)
structID = constitutive_nonlocal_structure(instance)
ns = totalNslip(instance) ns = totalNslip(instance)
tau = 0.0_pReal tau = 0.0_pReal
@ -2500,14 +2392,14 @@ forall (t = 1_pInt:4_pInt) &
do s = 1_pInt,ns ! loop over slip systems do s = 1_pInt,ns ! loop over slip systems
sLattice = slipSystemLattice(s,instance) sLattice = slipSystemLattice(s,instance)
tau(s) = math_mul6x6(Tstar_v, lattice_Sslip_v(1:6,1,sLattice,structID)) + tauBack(s) tau(s) = math_mul6x6(Tstar_v, lattice_Sslip_v(1:6,1,sLattice,phase)) + tauBack(s)
if (abs(tau(s)) < 1.0e-15_pReal) tau(s) = 1.0e-15_pReal if (abs(tau(s)) < 1.0e-15_pReal) tau(s) = 1.0e-15_pReal
enddo enddo
dLower = minDipoleHeight(1:ns,1:2,instance) dLower = minDipoleHeight(1:ns,1:2,instance)
dUpper(1:ns,1) = mu(instance) * burgers(1:ns,instance) & dUpper(1:ns,1) = lattice_mu(phase) * burgers(1:ns,instance) &
/ (8.0_pReal * pi * (1.0_pReal - nu(instance)) * abs(tau)) / (8.0_pReal * pi * (1.0_pReal - lattice_nu(phase)) * abs(tau))
dUpper(1:ns,2) = mu(instance) * burgers(1:ns,instance) & dUpper(1:ns,2) = lattice_mu(phase) * burgers(1:ns,instance) &
/ (4.0_pReal * pi * abs(tau)) / (4.0_pReal * pi * abs(tau))
forall (c = 1_pInt:2_pInt) & forall (c = 1_pInt:2_pInt) &
dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) & dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) &
@ -2521,7 +2413,7 @@ dUpper = max(dUpper,dLower)
!*** calculate dislocation multiplication !*** calculate dislocation multiplication
rhoDotMultiplication = 0.0_pReal rhoDotMultiplication = 0.0_pReal
if (structID == 2_pInt) then ! BCC if (lattice_structure(phase) == LATTICE_bcc_ID) then ! BCC
forall (s = 1:ns, sum(abs(v(s,1:4))) > 0.0_pReal) forall (s = 1:ns, sum(abs(v(s,1:4))) > 0.0_pReal)
rhoDotMultiplication(s,1:2) = sum(abs(gdot(s,3:4))) / burgers(s,instance) & ! assuming double-cross-slip of screws to be decisive for multiplication rhoDotMultiplication(s,1:2) = sum(abs(gdot(s,3:4))) / burgers(s,instance) & ! assuming double-cross-slip of screws to be decisive for multiplication
* sqrt(rhoForest(s)) / lambda0(s,instance) ! & ! mean free path * sqrt(rhoForest(s)) / lambda0(s,instance) ! & ! mean free path
@ -2606,10 +2498,10 @@ if (.not. phase_localPlasticity(material_phase(ipc,ip,el))) then
!*** be aware of the definition of lattice_st = lattice_sd x lattice_sn !!! !*** be aware of the definition of lattice_st = lattice_sd x lattice_sn !!!
!*** opposite sign to our p vector in the (s,p,n) triplet !!! !*** opposite sign to our p vector in the (s,p,n) triplet !!!
m(1:3,1:ns,1) = lattice_sd(1:3, slipSystemLattice(1:ns,instance), structID) m(1:3,1:ns,1) = lattice_sd(1:3, slipSystemLattice(1:ns,instance), phase)
m(1:3,1:ns,2) = -lattice_sd(1:3, slipSystemLattice(1:ns,instance), structID) m(1:3,1:ns,2) = -lattice_sd(1:3, slipSystemLattice(1:ns,instance), phase)
m(1:3,1:ns,3) = -lattice_st(1:3, slipSystemLattice(1:ns,instance), structID) m(1:3,1:ns,3) = -lattice_st(1:3, slipSystemLattice(1:ns,instance), phase)
m(1:3,1:ns,4) = lattice_st(1:3, slipSystemLattice(1:ns,instance), structID) m(1:3,1:ns,4) = lattice_st(1:3, slipSystemLattice(1:ns,instance), phase)
my_Fe = Fe(1:3,1:3,ipc,ip,el) my_Fe = Fe(1:3,1:3,ipc,ip,el)
my_F = math_mul33x33(my_Fe, Fp(1:3,1:3,ipc,ip,el)) my_F = math_mul33x33(my_Fe, Fp(1:3,1:3,ipc,ip,el))
@ -2797,7 +2689,7 @@ forall (c=1_pInt:2_pInt) &
+ 2.0_pReal * (abs(rhoSgl(1:ns,2*c+3)) * abs(gdot(1:ns,2*c)) + abs(rhoSgl(1:ns,2*c+4)) * abs(gdot(1:ns,2*c-1))) & ! was single hitting immobile single or was immobile single hit by single + 2.0_pReal * (abs(rhoSgl(1:ns,2*c+3)) * abs(gdot(1:ns,2*c)) + abs(rhoSgl(1:ns,2*c+4)) * abs(gdot(1:ns,2*c-1))) & ! was single hitting immobile single or was immobile single hit by single
+ rhoDip(1:ns,c) * (abs(gdot(1:ns,2*c-1)) + abs(gdot(1:ns,2*c)))) ! single knocks dipole constituent + rhoDip(1:ns,c) * (abs(gdot(1:ns,2*c-1)) + abs(gdot(1:ns,2*c)))) ! single knocks dipole constituent
! annihilated screw dipoles leave edge jogs behind on the colinear system ! annihilated screw dipoles leave edge jogs behind on the colinear system
if (structID == 1_pInt) then ! only fcc if (lattice_structure(phase) == LATTICE_fcc_ID) then ! only fcc
forall (s = 1:ns, colinearSystem(s,instance) > 0_pInt) & forall (s = 1:ns, colinearSystem(s,instance) > 0_pInt) &
rhoDotAthermalAnnihilation(colinearSystem(s,instance),1:2) = - rhoDotAthermalAnnihilation(s,10) & rhoDotAthermalAnnihilation(colinearSystem(s,instance),1:2) = - rhoDotAthermalAnnihilation(s,10) &
* 0.25_pReal * sqrt(rhoForest(s)) * (dUpper(s,2) + dLower(s,2)) * edgeJogFactor(instance) * 0.25_pReal * sqrt(rhoForest(s)) * (dUpper(s,2) + dLower(s,2)) * edgeJogFactor(instance)
@ -2809,12 +2701,11 @@ endif
rhoDotThermalAnnihilation = 0.0_pReal rhoDotThermalAnnihilation = 0.0_pReal
selfDiffusion = Dsd0(instance) * exp(-selfDiffusionEnergy(instance) / (KB * Temperature)) selfDiffusion = Dsd0(instance) * exp(-selfDiffusionEnergy(instance) / (KB * Temperature))
vClimb = atomicVolume(instance) * selfDiffusion / ( KB * Temperature ) & vClimb = atomicVolume(instance) * selfDiffusion / ( KB * Temperature ) &
* mu(instance) / ( 2.0_pReal * PI * (1.0_pReal-nu(instance)) ) & * lattice_mu(phase) / ( 2.0_pReal * PI * (1.0_pReal-lattice_nu(phase)) ) &
* 2.0_pReal / ( dUpper(1:ns,1) + dLower(1:ns,1) ) * 2.0_pReal / ( dUpper(1:ns,1) + dLower(1:ns,1) )
forall (s = 1_pInt:ns, dUpper(s,1) > dLower(s,1)) & forall (s = 1_pInt:ns, dUpper(s,1) > dLower(s,1)) &
rhoDotThermalAnnihilation(s,9) = max(- 4.0_pReal * rhoDip(s,1) * vClimb(s) / (dUpper(s,1) - dLower(s,1)), & rhoDotThermalAnnihilation(s,9) = max(- 4.0_pReal * rhoDip(s,1) * vClimb(s) / (dUpper(s,1) - dLower(s,1)), &
- rhoDip(s,1) / timestep - rhoDotAthermalAnnihilation(s,9) & - rhoDip(s,1) / timestep - rhoDotAthermalAnnihilation(s,9) - rhoDotSingle2DipoleGlide(s,9)) ! make sure that we do not annihilate more dipoles than we have
- rhoDotSingle2DipoleGlide(s,9)) ! make sure that we do not annihilate more dipoles than we have
@ -2843,12 +2734,9 @@ endif
if (iand(debug_level(debug_constitutive),debug_levelExtensive) /= 0_pInt & if (iand(debug_level(debug_constitutive),debug_levelExtensive) /= 0_pInt &
.and. ((debug_e == el .and. debug_i == ip .and. debug_g == ipc)& .and. ((debug_e == el .and. debug_i == ip .and. debug_g == ipc)&
.or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0_pInt )) then .or. .not. iand(debug_level(debug_constitutive),debug_levelSelective) /= 0_pInt )) then
write(6,'(a,/,4(12x,12(e12.5,1x),/))') '<< CONST >> dislocation multiplication', & write(6,'(a,/,4(12x,12(e12.5,1x),/))') '<< CONST >> dislocation multiplication', rhoDotMultiplication(1:ns,1:4) * timestep
rhoDotMultiplication(1:ns,1:4) * timestep write(6,'(a,/,8(12x,12(e12.5,1x),/))') '<< CONST >> dislocation flux', rhoDotFlux(1:ns,1:8) * timestep
write(6,'(a,/,8(12x,12(e12.5,1x),/))') '<< CONST >> dislocation flux', & write(6,'(a,/,10(12x,12(e12.5,1x),/))') '<< CONST >> dipole formation by glide', rhoDotSingle2DipoleGlide * timestep
rhoDotFlux(1:ns,1:8) * timestep
write(6,'(a,/,10(12x,12(e12.5,1x),/))') '<< CONST >> dipole formation by glide', &
rhoDotSingle2DipoleGlide * timestep
write(6,'(a,/,10(12x,12(e12.5,1x),/))') '<< CONST >> athermal dipole annihilation', & write(6,'(a,/,10(12x,12(e12.5,1x),/))') '<< CONST >> athermal dipole annihilation', &
rhoDotAthermalAnnihilation * timestep rhoDotAthermalAnnihilation * timestep
write(6,'(a,/,2(12x,12(e12.5,1x),/))') '<< CONST >> thermally activated dipole annihilation', & write(6,'(a,/,2(12x,12(e12.5,1x),/))') '<< CONST >> thermally activated dipole annihilation', &
@ -2934,7 +2822,6 @@ integer(pInt) Nneighbors, & !
neighbor_phase, & neighbor_phase, &
textureID, & textureID, &
neighbor_textureID, & neighbor_textureID, &
structID, & ! lattice structure
instance, & ! instance of plasticity instance, & ! instance of plasticity
ns, & ! number of active slip systems ns, & ! number of active slip systems
s1, & ! slip system index (me) s1, & ! slip system index (me)
@ -2958,10 +2845,9 @@ Nneighbors = FE_NipNeighbors(FE_celltype(FE_geomtype(mesh_element(2,e))))
phase = material_phase(1,i,e) phase = material_phase(1,i,e)
textureID = material_texture(1,i,e) textureID = material_texture(1,i,e)
instance = phase_plasticityInstance(phase) instance = phase_plasticityInstance(phase)
structID = constitutive_nonlocal_structure(instance)
ns = totalNslip(instance) ns = totalNslip(instance)
slipNormal(1:3,1:ns) = lattice_sn(1:3, slipSystemLattice(1:ns,instance), structID) slipNormal(1:3,1:ns) = lattice_sn(1:3, slipSystemLattice(1:ns,instance), phase)
slipDirection(1:3,1:ns) = lattice_sd(1:3, slipSystemLattice(1:ns,instance), structID) slipDirection(1:3,1:ns) = lattice_sd(1:3, slipSystemLattice(1:ns,instance), phase)
!*** start out fully compatible !*** start out fully compatible
@ -3087,18 +2973,20 @@ use material, only: homogenization_maxNgrains, &
material_phase, & material_phase, &
phase_localPlasticity, & phase_localPlasticity, &
phase_plasticityInstance phase_plasticityInstance
use lattice, only: lattice_mu, &
lattice_nu
implicit none implicit none
!*** input variables !*** input variables
integer(pInt), intent(in) :: ipc, & !< current grain ID integer(pInt), intent(in) :: ipc, & ! current grain ID
ip, & !< current integration point ip, & ! current integration point
el !< current element el ! current element
real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: & real(pReal), dimension(3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
Fe !< elastic deformation gradient Fe ! elastic deformation gradient
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: & type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(in) :: &
state !< microstructural state state ! microstructural state
!*** input/output variables !*** input/output variables
@ -3106,57 +2994,54 @@ type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), in
real(pReal), dimension(3,3) :: constitutive_nonlocal_dislocationstress real(pReal), dimension(3,3) :: constitutive_nonlocal_dislocationstress
!*** local variables !*** local variables
integer(pInt) neighbor_el, & !< element number of neighbor material point integer(pInt) neighbor_el, & ! element number of neighbor material point
neighbor_ip, & !< integration point of neighbor material point neighbor_ip, & ! integration point of neighbor material point
instance, & !< my instance of this plasticity instance, & ! my instance of this plasticity
neighbor_instance, & !< instance of this plasticity of neighbor material point neighbor_instance, & ! instance of this plasticity of neighbor material point
structID, & !< my lattice structure
neighbor_structID, & !< lattice structure of neighbor material point
phase, & phase, &
neighbor_phase, & neighbor_phase, &
ns, & !< total number of active slip systems at my material point ns, & ! total number of active slip systems at my material point
neighbor_ns, & !< total number of active slip systems at neighbor material point neighbor_ns, & ! total number of active slip systems at neighbor material point
c, & !< index of dilsocation character (edge, screw) c, & ! index of dilsocation character (edge, screw)
s, & !< slip system index s, & ! slip system index
t, & !< index of dilsocation type (e+, e-, s+, s-, used e+, used e-, used s+, used s-) t, & ! index of dilsocation type (e+, e-, s+, s-, used e+, used e-, used s+, used s-)
dir, & dir, &
deltaX, deltaY, deltaZ, & deltaX, deltaY, deltaZ, &
side, & side, &
j j
integer(pInt), dimension(2,3) :: periodicImages integer(pInt), dimension(2,3) :: periodicImages
real(pReal) x, y, z, & !< coordinates of connection vector in neighbor lattice frame real(pReal) x, y, z, & ! coordinates of connection vector in neighbor lattice frame
xsquare, ysquare, zsquare, & !< squares of respective coordinates xsquare, ysquare, zsquare, & ! squares of respective coordinates
distance, & !< length of connection vector distance, & ! length of connection vector
segmentLength, & !< segment length of dislocations segmentLength, & ! segment length of dislocations
lambda, & lambda, &
R, Rsquare, Rcube, & R, Rsquare, Rcube, &
denominator, & denominator, &
flipSign, & flipSign, &
neighbor_ipVolumeSideLength, & neighbor_ipVolumeSideLength, &
detFe detFe
real(pReal), dimension(3) :: connection, & !< connection vector between me and my neighbor in the deformed configuration real(pReal), dimension(3) :: connection, & ! connection vector between me and my neighbor in the deformed configuration
connection_neighborLattice, & !< connection vector between me and my neighbor in the lattice configuration of my neighbor connection_neighborLattice, & ! connection vector between me and my neighbor in the lattice configuration of my neighbor
connection_neighborSlip, & !< connection vector between me and my neighbor in the slip system frame of my neighbor connection_neighborSlip, & ! connection vector between me and my neighbor in the slip system frame of my neighbor
maxCoord, minCoord, & maxCoord, minCoord, &
meshSize, & meshSize, &
coords, & !< x,y,z coordinates of cell center of ip volume coords, & ! x,y,z coordinates of cell center of ip volume
neighbor_coords !< x,y,z coordinates of cell center of neighbor ip volume neighbor_coords ! x,y,z coordinates of cell center of neighbor ip volume
real(pReal), dimension(3,3) :: sigma, & !< dislocation stress for one slip system in neighbor material point's slip system frame real(pReal), dimension(3,3) :: sigma, & ! dislocation stress for one slip system in neighbor material point's slip system frame
Tdislo_neighborLattice, & !< dislocation stress as 2nd Piola-Kirchhoff stress at neighbor material point Tdislo_neighborLattice, & ! dislocation stress as 2nd Piola-Kirchhoff stress at neighbor material point
invFe, & !< inverse of my elastic deformation gradient invFe, & ! inverse of my elastic deformation gradient
neighbor_invFe, & neighbor_invFe, &
neighborLattice2myLattice !< mapping from neighbor MPs lattice configuration to my lattice configuration neighborLattice2myLattice ! mapping from neighbor MPs lattice configuration to my lattice configuration
real(pReal), dimension(2,2,maxval(totalNslip)) :: & real(pReal), dimension(2,2,maxval(totalNslip)) :: &
neighbor_rhoExcess !< excess density at neighbor material point (edge/screw,mobile/dead,slipsystem) neighbor_rhoExcess ! excess density at neighbor material point (edge/screw,mobile/dead,slipsystem)
real(pReal), dimension(2,maxval(totalNslip)) :: & real(pReal), dimension(2,maxval(totalNslip)) :: &
rhoExcessDead rhoExcessDead
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),8) :: & real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el))),8) :: &
rhoSgl !< single dislocation density (edge+, edge-, screw+, screw-, used edge+, used edge-, used screw+, used screw-) rhoSgl ! single dislocation density (edge+, edge-, screw+, screw-, used edge+, used edge-, used screw+, used screw-)
logical inversionError logical inversionError
phase = material_phase(ipc,ip,el) phase = material_phase(ipc,ip,el)
instance = phase_plasticityInstance(phase) instance = phase_plasticityInstance(phase)
structID = constitutive_nonlocal_structure(instance)
ns = totalNslip(instance) ns = totalNslip(instance)
@ -3205,7 +3090,6 @@ ipLoop: do neighbor_ip = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,neighbor_el))
cycle cycle
endif endif
neighbor_instance = phase_plasticityInstance(neighbor_phase) neighbor_instance = phase_plasticityInstance(neighbor_phase)
neighbor_structID = constitutive_nonlocal_structure(neighbor_instance)
neighbor_ns = totalNslip(neighbor_instance) neighbor_ns = totalNslip(neighbor_instance)
call math_invert33(Fe(1:3,1:3,1,neighbor_ip,neighbor_el), neighbor_invFe, detFe, inversionError) call math_invert33(Fe(1:3,1:3,1,neighbor_ip,neighbor_el), neighbor_invFe, detFe, inversionError)
neighbor_ipVolumeSideLength = mesh_ipVolume(neighbor_ip,neighbor_el) ** (1.0_pReal/3.0_pReal) ! reference volume used here neighbor_ipVolumeSideLength = mesh_ipVolume(neighbor_ip,neighbor_el) ** (1.0_pReal/3.0_pReal) ! reference volume used here
@ -3271,8 +3155,7 @@ ipLoop: do neighbor_ip = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,neighbor_el))
if (abs(neighbor_rhoExcess(1,j,s)) < significantRho(instance)) then if (abs(neighbor_rhoExcess(1,j,s)) < significantRho(instance)) then
cycle cycle
elseif (j > 1_pInt) then elseif (j > 1_pInt) then
x = connection_neighborSlip(1) & x = connection_neighborSlip(1) + sign(0.5_pReal * segmentLength, &
+ sign(0.5_pReal * segmentLength, &
state(ipc,neighbor_ip,neighbor_el)%p(iRhoB(s,1,neighbor_instance)) & state(ipc,neighbor_ip,neighbor_el)%p(iRhoB(s,1,neighbor_instance)) &
- state(ipc,neighbor_ip,neighbor_el)%p(iRhoB(s,2,neighbor_instance))) - state(ipc,neighbor_ip,neighbor_el)%p(iRhoB(s,2,neighbor_instance)))
xsquare = x * x xsquare = x * x
@ -3294,7 +3177,7 @@ ipLoop: do neighbor_ip = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,neighbor_el))
* (1.0_pReal + xsquare / Rsquare + xsquare / denominator) & * (1.0_pReal + xsquare / Rsquare + xsquare / denominator) &
* neighbor_rhoExcess(1,j,s) * neighbor_rhoExcess(1,j,s)
sigma(2,2) = sigma(2,2) - real(side,pReal) & sigma(2,2) = sigma(2,2) - real(side,pReal) &
* (flipSign * 2.0_pReal * nu(instance) * z / denominator + z * lambda / Rcube) & * (flipSign * 2.0_pReal * lattice_nu(phase) * z / denominator + z * lambda / Rcube) &
* neighbor_rhoExcess(1,j,s) * neighbor_rhoExcess(1,j,s)
sigma(3,3) = sigma(3,3) + real(side,pReal) & sigma(3,3) = sigma(3,3) + real(side,pReal) &
* flipSign * z / denominator & * flipSign * z / denominator &
@ -3307,7 +3190,7 @@ ipLoop: do neighbor_ip = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,neighbor_el))
* (1.0_pReal - zsquare / Rsquare - zsquare / denominator) & * (1.0_pReal - zsquare / Rsquare - zsquare / denominator) &
* neighbor_rhoExcess(1,j,s) * neighbor_rhoExcess(1,j,s)
sigma(2,3) = sigma(2,3) - real(side,pReal) & sigma(2,3) = sigma(2,3) - real(side,pReal) &
* (nu(instance) / R - zsquare / Rcube) * neighbor_rhoExcess(1,j,s) * (lattice_nu(phase) / R - zsquare / Rcube) * neighbor_rhoExcess(1,j,s)
enddo enddo
enddo enddo
@ -3318,8 +3201,7 @@ ipLoop: do neighbor_ip = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,neighbor_el))
if (abs(neighbor_rhoExcess(2,j,s)) < significantRho(instance)) then if (abs(neighbor_rhoExcess(2,j,s)) < significantRho(instance)) then
cycle cycle
elseif (j > 1_pInt) then elseif (j > 1_pInt) then
y = connection_neighborSlip(2) & y = connection_neighborSlip(2) + sign(0.5_pReal * segmentLength, &
+ sign(0.5_pReal * segmentLength, &
state(ipc,neighbor_ip,neighbor_el)%p(iRhoB(s,3,neighbor_instance)) & state(ipc,neighbor_ip,neighbor_el)%p(iRhoB(s,3,neighbor_instance)) &
- state(ipc,neighbor_ip,neighbor_el)%p(iRhoB(s,4,neighbor_instance))) - state(ipc,neighbor_ip,neighbor_el)%p(iRhoB(s,4,neighbor_instance)))
ysquare = y * y ysquare = y * y
@ -3336,11 +3218,9 @@ ipLoop: do neighbor_ip = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,neighbor_el))
exit ipLoop exit ipLoop
endif endif
sigma(1,2) = sigma(1,2) - real(side,pReal) * flipSign * z & sigma(1,2) = sigma(1,2) - real(side,pReal) * flipSign * z * (1.0_pReal - lattice_nu(phase)) / denominator &
* (1.0_pReal - nu(instance)) / denominator &
* neighbor_rhoExcess(2,j,s) * neighbor_rhoExcess(2,j,s)
sigma(1,3) = sigma(1,3) + real(side,pReal) * flipSign * y & sigma(1,3) = sigma(1,3) + real(side,pReal) * flipSign * y * (1.0_pReal - lattice_nu(phase)) / denominator &
* (1.0_pReal - nu(instance)) / denominator &
* neighbor_rhoExcess(2,j,s) * neighbor_rhoExcess(2,j,s)
enddo enddo
enddo enddo
@ -3358,8 +3238,8 @@ ipLoop: do neighbor_ip = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,neighbor_el))
!* scale stresses and map them into the neighbor material point's lattice configuration !* scale stresses and map them into the neighbor material point's lattice configuration
sigma = sigma * mu(neighbor_instance) * burgers(s,neighbor_instance) & sigma = sigma * lattice_mu(neighbor_phase) * burgers(s,neighbor_instance) &
/ (4.0_pReal * pi * (1.0_pReal - nu(neighbor_instance))) & / (4.0_pReal * pi * (1.0_pReal - lattice_nu(neighbor_phase))) &
* mesh_ipVolume(neighbor_ip,neighbor_el) / segmentLength ! reference volume is used here (according to the segment length calculation) * mesh_ipVolume(neighbor_ip,neighbor_el) / segmentLength ! reference volume is used here (according to the segment length calculation)
Tdislo_neighborLattice = Tdislo_neighborLattice & Tdislo_neighborLattice = Tdislo_neighborLattice &
+ math_mul33x33(math_transpose33(lattice2slip(1:3,1:3,s,neighbor_instance)), & + math_mul33x33(math_transpose33(lattice2slip(1:3,1:3,s,neighbor_instance)), &
@ -3384,9 +3264,9 @@ ipLoop: do neighbor_ip = 1_pInt,FE_Nips(FE_geomtype(mesh_element(2,neighbor_el))
cycle ! not significant cycle ! not significant
endif endif
sigma = 0.0_pReal ! all components except for sigma13 are zero sigma = 0.0_pReal ! all components except for sigma13 are zero
sigma(1,3) = - (rhoExcessDead(1,s) + rhoExcessDead(2,s) * (1.0_pReal - nu(instance))) & sigma(1,3) = - (rhoExcessDead(1,s) + rhoExcessDead(2,s) * (1.0_pReal - lattice_nu(phase))) &
* neighbor_ipVolumeSideLength * mu(instance) * burgers(s,instance) & * neighbor_ipVolumeSideLength * lattice_mu(phase) * burgers(s,instance) &
/ (sqrt(2.0_pReal) * pi * (1.0_pReal - nu(instance))) / (sqrt(2.0_pReal) * pi * (1.0_pReal - lattice_nu(phase)))
sigma(3,1) = sigma(1,3) sigma(3,1) = sigma(1,3)
Tdislo_neighborLattice = Tdislo_neighborLattice & Tdislo_neighborLattice = Tdislo_neighborLattice &
@ -3440,7 +3320,9 @@ pure function constitutive_nonlocal_postResults(Tstar_v,Fe,state,dotState,ipc,ip
lattice_Sslip_v, & lattice_Sslip_v, &
lattice_sd, & lattice_sd, &
lattice_st, & lattice_st, &
lattice_sn lattice_sn, &
lattice_mu, &
lattice_nu
implicit none implicit none
real(pReal), dimension(6), intent(in) :: & real(pReal), dimension(6), intent(in) :: &
@ -3460,8 +3342,8 @@ pure function constitutive_nonlocal_postResults(Tstar_v,Fe,state,dotState,ipc,ip
constitutive_nonlocal_postResults constitutive_nonlocal_postResults
integer(pInt) :: & integer(pInt) :: &
phase, &
instance, & !< current instance of this plasticity instance, & !< current instance of this plasticity
structID, & !< current lattice structure
ns, & !< short notation for the total number of active slip systems ns, & !< short notation for the total number of active slip systems
c, & !< character of dislocation c, & !< character of dislocation
cs, & !< constitutive result index cs, & !< constitutive result index
@ -3493,8 +3375,8 @@ pure function constitutive_nonlocal_postResults(Tstar_v,Fe,state,dotState,ipc,ip
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
sigma sigma
instance = phase_plasticityInstance(material_phase(ipc,ip,el)) phase = material_phase(ipc,ip,el)
structID = constitutive_nonlocal_structure(instance) instance = phase_plasticityInstance(phase)
ns = totalNslip(instance) ns = totalNslip(instance)
cs = 0_pInt cs = 0_pInt
@ -3530,14 +3412,14 @@ forall (t = 1_pInt:4_pInt) &
do s = 1_pInt,ns do s = 1_pInt,ns
sLattice = slipSystemLattice(s,instance) sLattice = slipSystemLattice(s,instance)
tau(s) = math_mul6x6(Tstar_v, lattice_Sslip_v(1:6,1,sLattice,structID)) + tauBack(s) tau(s) = math_mul6x6(Tstar_v, lattice_Sslip_v(1:6,1,sLattice,phase)) + tauBack(s)
if (abs(tau(s)) < 1.0e-15_pReal) tau(s) = 1.0e-15_pReal if (abs(tau(s)) < 1.0e-15_pReal) tau(s) = 1.0e-15_pReal
enddo enddo
dLower = minDipoleHeight(1:ns,1:2,instance) dLower = minDipoleHeight(1:ns,1:2,instance)
dUpper(1:ns,1) = mu(instance) * burgers(1:ns,instance) & dUpper(1:ns,1) = lattice_mu(phase) * burgers(1:ns,instance) &
/ (8.0_pReal * pi * (1.0_pReal - nu(instance)) * abs(tau)) / (8.0_pReal * pi * (1.0_pReal - lattice_nu(phase)) * abs(tau))
dUpper(1:ns,2) = mu(instance) * burgers(1:ns,instance) & dUpper(1:ns,2) = lattice_mu(phase) * burgers(1:ns,instance) &
/ (4.0_pReal * pi * abs(tau)) / (4.0_pReal * pi * abs(tau))
forall (c = 1_pInt:2_pInt) & forall (c = 1_pInt:2_pInt) &
dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) & dUpper(1:ns,c) = min(1.0_pReal / sqrt(rhoSgl(1:ns,2*c-1) + rhoSgl(1:ns,2*c) &
@ -3548,13 +3430,13 @@ dUpper = max(dUpper,dLower)
!*** dislocation motion !*** dislocation motion
m(1:3,1:ns,1) = lattice_sd(1:3,slipSystemLattice(1:ns,instance),structID) m(1:3,1:ns,1) = lattice_sd(1:3,slipSystemLattice(1:ns,instance),phase)
m(1:3,1:ns,2) = -lattice_st(1:3,slipSystemLattice(1:ns,instance),structID) m(1:3,1:ns,2) = -lattice_st(1:3,slipSystemLattice(1:ns,instance),phase)
forall (c = 1_pInt:2_pInt, s = 1_pInt:ns) & forall (c = 1_pInt:2_pInt, s = 1_pInt:ns) &
m_currentconf(1:3,s,c) = math_mul33x3(Fe(1:3,1:3,ipc,ip,el), m(1:3,s,c)) m_currentconf(1:3,s,c) = math_mul33x3(Fe(1:3,1:3,ipc,ip,el), m(1:3,s,c))
forall (s = 1_pInt:ns) & forall (s = 1_pInt:ns) &
n_currentconf(1:3,s) = math_mul33x3(Fe(1:3,1:3,ipc,ip,el), & n_currentconf(1:3,s) = math_mul33x3(Fe(1:3,1:3,ipc,ip,el), &
lattice_sn(1:3,slipSystemLattice(s,instance),structID)) lattice_sn(1:3,slipSystemLattice(s,instance),phase))
outputsLoop: do o = 1_pInt,phase_Noutput(material_phase(ipc,ip,el)) outputsLoop: do o = 1_pInt,phase_Noutput(material_phase(ipc,ip,el))
@ -3715,7 +3597,7 @@ outputsLoop: do o = 1_pInt,phase_Noutput(material_phase(ipc,ip,el))
case (resolvedstress_external_ID) case (resolvedstress_external_ID)
do s = 1_pInt,ns do s = 1_pInt,ns
sLattice = slipSystemLattice(s,instance) sLattice = slipSystemLattice(s,instance)
constitutive_nonlocal_postResults(cs+s) = math_mul6x6(Tstar_v, lattice_Sslip_v(1:6,1,sLattice,structID)) constitutive_nonlocal_postResults(cs+s) = math_mul6x6(Tstar_v, lattice_Sslip_v(1:6,1,sLattice,phase))
enddo enddo
cs = cs + ns cs = cs + ns

228
code/constitutive_phenopowerlaw.f90
View File

@ -34,8 +34,7 @@ module constitutive_phenopowerlaw
integer(pInt), dimension(:), allocatable, public, protected :: & integer(pInt), dimension(:), allocatable, public, protected :: &
constitutive_phenopowerlaw_sizeDotState, & constitutive_phenopowerlaw_sizeDotState, &
constitutive_phenopowerlaw_sizeState, & constitutive_phenopowerlaw_sizeState, &
constitutive_phenopowerlaw_sizePostResults, & !< cumulative size of post results constitutive_phenopowerlaw_sizePostResults !< cumulative size of post results
constitutive_phenopowerlaw_structure
integer(pInt), dimension(:,:), allocatable, target, public :: & integer(pInt), dimension(:,:), allocatable, target, public :: &
constitutive_phenopowerlaw_sizePostResult !< size of each post result output constitutive_phenopowerlaw_sizePostResult !< size of each post result output
@ -87,8 +86,8 @@ module constitutive_phenopowerlaw
constitutive_phenopowerlaw_hardeningMatrix_SlipSlip, & constitutive_phenopowerlaw_hardeningMatrix_SlipSlip, &
constitutive_phenopowerlaw_hardeningMatrix_SlipTwin, & constitutive_phenopowerlaw_hardeningMatrix_SlipTwin, &
constitutive_phenopowerlaw_hardeningMatrix_TwinSlip, & constitutive_phenopowerlaw_hardeningMatrix_TwinSlip, &
constitutive_phenopowerlaw_hardeningMatrix_TwinTwin, & constitutive_phenopowerlaw_hardeningMatrix_TwinTwin
constitutive_phenopowerlaw_Cslip_66
enum, bind(c) enum, bind(c)
enumerator :: undefined_ID, & enumerator :: undefined_ID, &
resistance_slip_ID, & resistance_slip_ID, &
@ -109,7 +108,6 @@ module constitutive_phenopowerlaw
constitutive_phenopowerlaw_init, & constitutive_phenopowerlaw_init, &
constitutive_phenopowerlaw_stateInit, & constitutive_phenopowerlaw_stateInit, &
constitutive_phenopowerlaw_aTolState, & constitutive_phenopowerlaw_aTolState, &
constitutive_phenopowerlaw_homogenizedC, &
constitutive_phenopowerlaw_LpAndItsTangent, & constitutive_phenopowerlaw_LpAndItsTangent, &
constitutive_phenopowerlaw_dotState, & constitutive_phenopowerlaw_dotState, &
constitutive_phenopowerlaw_postResults constitutive_phenopowerlaw_postResults
@ -160,16 +158,13 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
integer(pInt), parameter :: MAXNCHUNKS = LATTICE_maxNinteraction + 1_pInt integer(pInt), parameter :: MAXNCHUNKS = LATTICE_maxNinteraction + 1_pInt
integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions
integer(pInt), dimension(7) :: configNchunks
integer(pInt) :: & integer(pInt) :: &
maxNinstance, & maxNinstance, &
instance,j,k, f,o, & instance,phase,j,k, f,o, &
Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, & Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, &
Nchunks_SlipFamilies, Nchunks_TwinFamilies, Nchunks_nonSchmid, & Nchunks_SlipFamilies, Nchunks_TwinFamilies, Nchunks_nonSchmid, &
structID, index_myFamily, index_otherFamily, & index_myFamily, index_otherFamily, &
mySize=0_pInt, section = 0_pInt mySize=0_pInt
character(len=32) :: &
structure = ''
character(len=65536) :: & character(len=65536) :: &
tag = '', & tag = '', &
line = '' line = ''
@ -185,14 +180,6 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) &
write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance
Nchunks_SlipFamilies = lattice_maxNslipFamily
Nchunks_TwinFamilies = lattice_maxNtwinFamily
Nchunks_SlipSlip = lattice_maxNinteraction
Nchunks_SlipTwin = lattice_maxNinteraction
Nchunks_TwinSlip = lattice_maxNinteraction
Nchunks_TwinTwin = lattice_maxNinteraction
Nchunks_nonSchmid = lattice_maxNnonSchmid
allocate(constitutive_phenopowerlaw_sizeDotState(maxNinstance), source=0_pInt) allocate(constitutive_phenopowerlaw_sizeDotState(maxNinstance), source=0_pInt)
allocate(constitutive_phenopowerlaw_sizeState(maxNinstance), source=0_pInt) allocate(constitutive_phenopowerlaw_sizeState(maxNinstance), source=0_pInt)
allocate(constitutive_phenopowerlaw_sizePostResults(maxNinstance), source=0_pInt) allocate(constitutive_phenopowerlaw_sizePostResults(maxNinstance), source=0_pInt)
@ -202,12 +189,10 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
constitutive_phenopowerlaw_output = '' constitutive_phenopowerlaw_output = ''
allocate(constitutive_phenopowerlaw_outputID(maxval(phase_Noutput),maxNinstance),source=undefined_ID) allocate(constitutive_phenopowerlaw_outputID(maxval(phase_Noutput),maxNinstance),source=undefined_ID)
allocate(constitutive_phenopowerlaw_Noutput(maxNinstance), source=0_pInt) allocate(constitutive_phenopowerlaw_Noutput(maxNinstance), source=0_pInt)
allocate(constitutive_phenopowerlaw_structure(maxNinstance), source=0_pInt)
allocate(constitutive_phenopowerlaw_Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt) allocate(constitutive_phenopowerlaw_Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt)
allocate(constitutive_phenopowerlaw_Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt) allocate(constitutive_phenopowerlaw_Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt)
allocate(constitutive_phenopowerlaw_totalNslip(maxNinstance), source=0_pInt) allocate(constitutive_phenopowerlaw_totalNslip(maxNinstance), source=0_pInt)
allocate(constitutive_phenopowerlaw_totalNtwin(maxNinstance), source=0_pInt) allocate(constitutive_phenopowerlaw_totalNtwin(maxNinstance), source=0_pInt)
allocate(constitutive_phenopowerlaw_Cslip_66(6,6,maxNinstance), source=0.0_pReal)
allocate(constitutive_phenopowerlaw_gdot0_slip(maxNinstance), source=0.0_pReal) allocate(constitutive_phenopowerlaw_gdot0_slip(maxNinstance), source=0.0_pReal)
allocate(constitutive_phenopowerlaw_n_slip(maxNinstance), source=0.0_pReal) allocate(constitutive_phenopowerlaw_n_slip(maxNinstance), source=0.0_pReal)
allocate(constitutive_phenopowerlaw_tau0_slip(lattice_maxNslipFamily,maxNinstance), & allocate(constitutive_phenopowerlaw_tau0_slip(lattice_maxNslipFamily,maxNinstance), &
@ -243,40 +228,38 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
source=0.0_pReal) source=0.0_pReal)
rewind(fileUnit) rewind(fileUnit)
phase = 0_pInt
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partPhase) ! wind forward to <phase> do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partPhase) ! wind forward to <phase>
line = IO_read(fileUnit) line = IO_read(fileUnit)
enddo enddo
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) line = IO_read(fileUnit)
if (IO_isBlank(line)) cycle ! skip empty lines if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') then ! stop at next part if (IO_getTag(line,'<','>') /= '') then ! stop at next part
line = IO_read(fileUnit, .true.) ! reset IO_read line = IO_read(fileUnit, .true.) ! reset IO_read
exit exit
endif endif
if (IO_getTag(line,'[',']') /= '') then ! next section if (IO_getTag(line,'[',']') /= '') then ! next phase
section = section + 1_pInt ! advance section counter phase = phase + 1_pInt ! advance phase section counter
if (phase_plasticity(section) == PLASTICITY_PHENOPOWERLAW_ID) then if (phase_plasticity(phase) == PLASTICITY_PHENOPOWERLAW_ID) then
instance = phase_plasticityInstance(section) Nchunks_SlipFamilies = count(lattice_NslipSystem(:,phase) > 0_pInt)
constitutive_phenopowerlaw_Cslip_66(1:6,1:6,instance) = lattice_Cslip_66(1:6,1:6,section) Nchunks_TwinFamilies = count(lattice_NtwinSystem(:,phase) > 0_pInt)
constitutive_phenopowerlaw_structure(instance) = lattice_structure(section) Nchunks_SlipSlip = maxval(lattice_interactionSlipSlip(:,:,phase))
configNchunks = lattice_configNchunks(lattice_structureID(section)) Nchunks_SlipTwin = maxval(lattice_interactionSlipTwin(:,:,phase))
Nchunks_SlipFamilies = configNchunks(1) Nchunks_TwinSlip = maxval(lattice_interactionTwinSlip(:,:,phase))
Nchunks_TwinFamilies = configNchunks(2) Nchunks_TwinTwin = maxval(lattice_interactionTwinTwin(:,:,phase))
Nchunks_SlipSlip = configNchunks(3) Nchunks_nonSchmid = lattice_NnonSchmid(phase)
Nchunks_SlipTwin = configNchunks(4)
Nchunks_TwinSlip = configNchunks(5)
Nchunks_TwinTwin = configNchunks(6)
Nchunks_nonSchmid = configNchunks(7)
endif endif
cycle ! skip to next line cycle ! skip to next line
endif endif
if (section > 0_pInt ) then; if (phase_plasticity(section) == PLASTICITY_PHENOPOWERLAW_ID) then ! one of my sections. Do not short-circuit here (.and. between if-statements), it's not safe in Fortran if (phase > 0_pInt ) then; if (phase_plasticity(phase) == PLASTICITY_PHENOPOWERLAW_ID) then ! one of my phases. Do not short-circuit here (.and. between if-statements), it's not safe in Fortran
instance = phase_plasticityInstance(section) ! which instance of my plasticity is present phase instance = phase_plasticityInstance(phase) ! which instance of my plasticity is present phase
positions = IO_stringPos(line,MAXNCHUNKS) positions = IO_stringPos(line,MAXNCHUNKS)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag) select case(tag)
case ('plasticity','elasticity','lattice_structure','covera_ratio',& case ('plasticity','elasticity','lattice_structure', &
'covera_ratio','c/a_ratio','c/a', &
'c11','c12','c13','c22','c23','c33','c44','c55','c66') 'c11','c12','c13','c22','c23','c33','c44','c55','c66')
case ('(output)') case ('(output)')
constitutive_phenopowerlaw_Noutput(instance) = constitutive_phenopowerlaw_Noutput(instance) + 1_pInt constitutive_phenopowerlaw_Noutput(instance) = constitutive_phenopowerlaw_Noutput(instance) + 1_pInt
@ -401,14 +384,16 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_PHENOPOWERLAW_label//')') call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_PHENOPOWERLAW_label//')')
end select end select
endif; endif endif; endif
enddo enddo parsingFile
sanityChecks: do instance = 1_pInt,maxNinstance sanityChecks: do phase = 1_pInt, size(phase_plasticity)
myPhase: if (phase_plasticity(phase) == PLASTICITY_phenopowerlaw_ID) then
instance = phase_plasticityInstance(phase)
constitutive_phenopowerlaw_Nslip(1:lattice_maxNslipFamily,instance) = & constitutive_phenopowerlaw_Nslip(1:lattice_maxNslipFamily,instance) = &
min(lattice_NslipSystem(1:lattice_maxNslipFamily,constitutive_phenopowerlaw_structure(instance)),& ! limit active slip systems per family to min of available and requested min(lattice_NslipSystem(1:lattice_maxNslipFamily,phase),& ! limit active slip systems per family to min of available and requested
constitutive_phenopowerlaw_Nslip(1:lattice_maxNslipFamily,instance)) constitutive_phenopowerlaw_Nslip(1:lattice_maxNslipFamily,instance))
constitutive_phenopowerlaw_Ntwin(1:lattice_maxNtwinFamily,instance) = & constitutive_phenopowerlaw_Ntwin(1:lattice_maxNtwinFamily,instance) = &
min(lattice_NtwinSystem(1:lattice_maxNtwinFamily,constitutive_phenopowerlaw_structure(instance)),& ! limit active twin systems per family to min of available and requested min(lattice_NtwinSystem(1:lattice_maxNtwinFamily,phase),& ! limit active twin systems per family to min of available and requested
constitutive_phenopowerlaw_Ntwin(:,instance)) constitutive_phenopowerlaw_Ntwin(:,instance))
constitutive_phenopowerlaw_totalNslip(instance) = sum(constitutive_phenopowerlaw_Nslip(:,instance)) ! how many slip systems altogether constitutive_phenopowerlaw_totalNslip(instance) = sum(constitutive_phenopowerlaw_Nslip(:,instance)) ! how many slip systems altogether
constitutive_phenopowerlaw_totalNtwin(instance) = sum(constitutive_phenopowerlaw_Ntwin(:,instance)) ! how many twin systems altogether constitutive_phenopowerlaw_totalNtwin(instance) = sum(constitutive_phenopowerlaw_Ntwin(:,instance)) ! how many twin systems altogether
@ -441,7 +426,7 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
constitutive_phenopowerlaw_aTolShear(instance) = 1.0e-6_pReal ! default absolute tolerance 1e-6 constitutive_phenopowerlaw_aTolShear(instance) = 1.0e-6_pReal ! default absolute tolerance 1e-6
if (constitutive_phenopowerlaw_aTolTwinfrac(instance) <= 0.0_pReal) & if (constitutive_phenopowerlaw_aTolTwinfrac(instance) <= 0.0_pReal) &
constitutive_phenopowerlaw_aTolTwinfrac(instance) = 1.0e-6_pReal ! default absolute tolerance 1e-6 constitutive_phenopowerlaw_aTolTwinfrac(instance) = 1.0e-6_pReal ! default absolute tolerance 1e-6
endif myPhase
enddo sanityChecks enddo sanityChecks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -459,7 +444,9 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
maxval(constitutive_phenopowerlaw_totalNtwin),& maxval(constitutive_phenopowerlaw_totalNtwin),&
maxNinstance), source=0.0_pReal) maxNinstance), source=0.0_pReal)
instancesLoop: do instance = 1_pInt,maxNinstance initializeInstances: do phase = 1_pInt, size(phase_plasticity)
if (phase_plasticity(phase) == PLASTICITY_phenopowerlaw_ID) then
instance = phase_plasticityInstance(phase)
outputsLoop: do o = 1_pInt,constitutive_phenopowerlaw_Noutput(instance) outputsLoop: do o = 1_pInt,constitutive_phenopowerlaw_Noutput(instance)
select case(constitutive_phenopowerlaw_outputID(o,instance)) select case(constitutive_phenopowerlaw_outputID(o,instance))
case(resistance_slip_ID, & case(resistance_slip_ID, &
@ -494,8 +481,6 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
constitutive_phenopowerlaw_totalNtwin(instance) ! s_slip, s_twin, sum(gamma), sum(f), accshear_slip, accshear_twin constitutive_phenopowerlaw_totalNtwin(instance) ! s_slip, s_twin, sum(gamma), sum(f), accshear_slip, accshear_twin
constitutive_phenopowerlaw_sizeState(instance) = constitutive_phenopowerlaw_sizeDotState(instance) constitutive_phenopowerlaw_sizeState(instance) = constitutive_phenopowerlaw_sizeDotState(instance)
structID = constitutive_phenopowerlaw_structure(instance)
do f = 1_pInt,lattice_maxNslipFamily ! >>> interaction slip -- X do f = 1_pInt,lattice_maxNslipFamily ! >>> interaction slip -- X
index_myFamily = sum(constitutive_phenopowerlaw_Nslip(1:f-1_pInt,instance)) index_myFamily = sum(constitutive_phenopowerlaw_Nslip(1:f-1_pInt,instance))
do j = 1_pInt,constitutive_phenopowerlaw_Nslip(f,instance) ! loop over (active) systems in my family (slip) do j = 1_pInt,constitutive_phenopowerlaw_Nslip(f,instance) ! loop over (active) systems in my family (slip)
@ -504,9 +489,9 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
do k = 1_pInt,constitutive_phenopowerlaw_Nslip(o,instance) ! loop over (active) systems in other family (slip) do k = 1_pInt,constitutive_phenopowerlaw_Nslip(o,instance) ! loop over (active) systems in other family (slip)
constitutive_phenopowerlaw_hardeningMatrix_SlipSlip(index_myFamily+j,index_otherFamily+k,instance) = & constitutive_phenopowerlaw_hardeningMatrix_SlipSlip(index_myFamily+j,index_otherFamily+k,instance) = &
constitutive_phenopowerlaw_interaction_SlipSlip(lattice_interactionSlipSlip( & constitutive_phenopowerlaw_interaction_SlipSlip(lattice_interactionSlipSlip( &
sum(lattice_NslipSystem(1:f-1,structID))+j, & sum(lattice_NslipSystem(1:f-1,phase))+j, &
sum(lattice_NslipSystem(1:o-1,structID))+k, & sum(lattice_NslipSystem(1:o-1,phase))+k, &
structID), instance ) phase), instance )
enddo; enddo enddo; enddo
do o = 1_pInt,lattice_maxNtwinFamily do o = 1_pInt,lattice_maxNtwinFamily
@ -514,9 +499,9 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
do k = 1_pInt,constitutive_phenopowerlaw_Ntwin(o,instance) ! loop over (active) systems in other family (twin) do k = 1_pInt,constitutive_phenopowerlaw_Ntwin(o,instance) ! loop over (active) systems in other family (twin)
constitutive_phenopowerlaw_hardeningMatrix_SlipTwin(index_myFamily+j,index_otherFamily+k,instance) = & constitutive_phenopowerlaw_hardeningMatrix_SlipTwin(index_myFamily+j,index_otherFamily+k,instance) = &
constitutive_phenopowerlaw_interaction_SlipTwin(lattice_interactionSlipTwin( & constitutive_phenopowerlaw_interaction_SlipTwin(lattice_interactionSlipTwin( &
sum(lattice_NslipSystem(1:f-1_pInt,structID))+j, & sum(lattice_NslipSystem(1:f-1_pInt,phase))+j, &
sum(lattice_NtwinSystem(1:o-1_pInt,structID))+k, & sum(lattice_NtwinSystem(1:o-1_pInt,phase))+k, &
structID), instance ) phase), instance )
enddo; enddo enddo; enddo
enddo; enddo enddo; enddo
@ -530,9 +515,9 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
do k = 1_pInt,constitutive_phenopowerlaw_Nslip(o,instance) ! loop over (active) systems in other family (slip) do k = 1_pInt,constitutive_phenopowerlaw_Nslip(o,instance) ! loop over (active) systems in other family (slip)
constitutive_phenopowerlaw_hardeningMatrix_TwinSlip(index_myFamily+j,index_otherFamily+k,instance) = & constitutive_phenopowerlaw_hardeningMatrix_TwinSlip(index_myFamily+j,index_otherFamily+k,instance) = &
constitutive_phenopowerlaw_interaction_TwinSlip(lattice_interactionTwinSlip( & constitutive_phenopowerlaw_interaction_TwinSlip(lattice_interactionTwinSlip( &
sum(lattice_NtwinSystem(1:f-1_pInt,structID))+j, & sum(lattice_NtwinSystem(1:f-1_pInt,phase))+j, &
sum(lattice_NslipSystem(1:o-1_pInt,structID))+k, & sum(lattice_NslipSystem(1:o-1_pInt,phase))+k, &
structID), instance ) phase), instance )
enddo; enddo enddo; enddo
do o = 1_pInt,lattice_maxNtwinFamily do o = 1_pInt,lattice_maxNtwinFamily
@ -540,14 +525,14 @@ subroutine constitutive_phenopowerlaw_init(fileUnit)
do k = 1_pInt,constitutive_phenopowerlaw_Ntwin(o,instance) ! loop over (active) systems in other family (twin) do k = 1_pInt,constitutive_phenopowerlaw_Ntwin(o,instance) ! loop over (active) systems in other family (twin)
constitutive_phenopowerlaw_hardeningMatrix_TwinTwin(index_myFamily+j,index_otherFamily+k,instance) = & constitutive_phenopowerlaw_hardeningMatrix_TwinTwin(index_myFamily+j,index_otherFamily+k,instance) = &
constitutive_phenopowerlaw_interaction_TwinTwin(lattice_interactionTwinTwin( & constitutive_phenopowerlaw_interaction_TwinTwin(lattice_interactionTwinTwin( &
sum(lattice_NtwinSystem(1:f-1_pInt,structID))+j, & sum(lattice_NtwinSystem(1:f-1_pInt,phase))+j, &
sum(lattice_NtwinSystem(1:o-1_pInt,structID))+k, & sum(lattice_NtwinSystem(1:o-1_pInt,phase))+k, &
structID), instance ) phase), instance )
enddo; enddo enddo; enddo
enddo; enddo enddo; enddo
endif
enddo instancesLoop enddo initializeInstances
end subroutine constitutive_phenopowerlaw_init end subroutine constitutive_phenopowerlaw_init
@ -617,34 +602,6 @@ real(pReal), dimension(constitutive_phenopowerlaw_sizeState(instance)) :: &
end function constitutive_phenopowerlaw_aTolState end function constitutive_phenopowerlaw_aTolState
!--------------------------------------------------------------------------------------------------
!> @brief returns the homogenized elasticity matrix
!--------------------------------------------------------------------------------------------------
pure function constitutive_phenopowerlaw_homogenizedC(ipc,ip,el)
use prec, only: &
p_vec
use mesh, only: &
mesh_NcpElems, &
mesh_maxNips
use material, only: &
homogenization_maxNgrains, &
material_phase, &
phase_plasticityInstance
implicit none
real(pReal), dimension(6,6) :: &
constitutive_phenopowerlaw_homogenizedC
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
constitutive_phenopowerlaw_homogenizedC = constitutive_phenopowerlaw_Cslip_66(1:6,1:6,&
phase_plasticityInstance(material_phase(ipc,ip,el)))
end function constitutive_phenopowerlaw_homogenizedC
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates plastic velocity gradient and its tangent !> @brief calculates plastic velocity gradient and its tangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -690,7 +647,7 @@ pure subroutine constitutive_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar
integer(pInt) :: & integer(pInt) :: &
instance, & instance, &
nSlip, & nSlip, &
nTwin,structID,index_Gamma,index_F,index_myFamily, & nTwin,phase,index_Gamma,index_F,index_myFamily, &
f,i,j,k,l,m,n f,i,j,k,l,m,n
real(pReal), dimension(3,3,3,3) :: & real(pReal), dimension(3,3,3,3) :: &
dLp_dTstar3333 !< derivative of Lp with respect to Tstar as 4th order tensor dLp_dTstar3333 !< derivative of Lp with respect to Tstar as 4th order tensor
@ -701,12 +658,11 @@ pure subroutine constitutive_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar
real(pReal), dimension(constitutive_phenopowerlaw_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & real(pReal), dimension(constitutive_phenopowerlaw_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
gdot_twin,dgdot_dtautwin,tau_twin gdot_twin,dgdot_dtautwin,tau_twin
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
structID = constitutive_phenopowerlaw_structure(instance)
phase = material_phase(ipc,ip,el)
instance = phase_plasticityInstance(phase)
nSlip = constitutive_phenopowerlaw_totalNslip(instance) nSlip = constitutive_phenopowerlaw_totalNslip(instance)
nTwin = constitutive_phenopowerlaw_totalNtwin(instance) nTwin = constitutive_phenopowerlaw_totalNtwin(instance)
index_Gamma = nSlip + nTwin + 1_pInt index_Gamma = nSlip + nTwin + 1_pInt
index_F = nSlip + nTwin + 2_pInt index_F = nSlip + nTwin + 2_pInt
@ -716,25 +672,25 @@ pure subroutine constitutive_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar
j = 0_pInt j = 0_pInt
slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily
index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_phenopowerlaw_Nslip(f,instance) ! process each (active) slip system in family do i = 1_pInt,constitutive_phenopowerlaw_Nslip(f,instance) ! process each (active) slip system in family
j = j+1_pInt j = j+1_pInt
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! Calculation of Lp ! Calculation of Lp
tau_slip_pos(j) = dot_product(Tstar_v,lattice_Sslip_v(1:6,1,index_myFamily+i,structID)) tau_slip_pos(j) = dot_product(Tstar_v,lattice_Sslip_v(1:6,1,index_myFamily+i,phase))
tau_slip_neg(j) = tau_slip_pos(j) tau_slip_neg(j) = tau_slip_pos(j)
nonSchmid_tensor(1:3,1:3,1) = lattice_Sslip(1:3,1:3,1,index_myFamily+i,structID) nonSchmid_tensor(1:3,1:3,1) = lattice_Sslip(1:3,1:3,1,index_myFamily+i,phase)
nonSchmid_tensor(1:3,1:3,2) = nonSchmid_tensor(1:3,1:3,1) nonSchmid_tensor(1:3,1:3,2) = nonSchmid_tensor(1:3,1:3,1)
do k = 1,lattice_NnonSchmid(structID) do k = 1,lattice_NnonSchmid(phase)
tau_slip_pos(j) = tau_slip_pos(j) + constitutive_phenopowerlaw_nonSchmidCoeff(k,instance)* & tau_slip_pos(j) = tau_slip_pos(j) + constitutive_phenopowerlaw_nonSchmidCoeff(k,instance)* &
dot_product(Tstar_v,lattice_Sslip_v(1:6,2*k,index_myFamily+i,structID)) dot_product(Tstar_v,lattice_Sslip_v(1:6,2*k,index_myFamily+i,phase))
tau_slip_neg(j) = tau_slip_neg(j) + constitutive_phenopowerlaw_nonSchmidCoeff(k,instance)* & tau_slip_neg(j) = tau_slip_neg(j) + constitutive_phenopowerlaw_nonSchmidCoeff(k,instance)* &
dot_product(Tstar_v,lattice_Sslip_v(1:6,2*k+1,index_myFamily+i,structID)) dot_product(Tstar_v,lattice_Sslip_v(1:6,2*k+1,index_myFamily+i,phase))
nonSchmid_tensor(1:3,1:3,1) = nonSchmid_tensor(1:3,1:3,1) + constitutive_phenopowerlaw_nonSchmidCoeff(k,instance)*& nonSchmid_tensor(1:3,1:3,1) = nonSchmid_tensor(1:3,1:3,1) + constitutive_phenopowerlaw_nonSchmidCoeff(k,instance)*&
lattice_Sslip(1:3,1:3,2*k,index_myFamily+i,structID) lattice_Sslip(1:3,1:3,2*k,index_myFamily+i,phase)
nonSchmid_tensor(1:3,1:3,2) = nonSchmid_tensor(1:3,1:3,2) + constitutive_phenopowerlaw_nonSchmidCoeff(k,instance)*& nonSchmid_tensor(1:3,1:3,2) = nonSchmid_tensor(1:3,1:3,2) + constitutive_phenopowerlaw_nonSchmidCoeff(k,instance)*&
lattice_Sslip(1:3,1:3,2*k+1,index_myFamily+i,structID) lattice_Sslip(1:3,1:3,2*k+1,index_myFamily+i,phase)
enddo enddo
gdot_slip_pos(j) = 0.5_pReal*constitutive_phenopowerlaw_gdot0_slip(instance)* & gdot_slip_pos(j) = 0.5_pReal*constitutive_phenopowerlaw_gdot0_slip(instance)* &
((abs(tau_slip_pos(j))/state(ipc,ip,el)%p(j))**constitutive_phenopowerlaw_n_slip(instance))*& ((abs(tau_slip_pos(j))/state(ipc,ip,el)%p(j))**constitutive_phenopowerlaw_n_slip(instance))*&
@ -743,7 +699,7 @@ pure subroutine constitutive_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar
((abs(tau_slip_neg(j))/state(ipc,ip,el)%p(j))**constitutive_phenopowerlaw_n_slip(instance))*& ((abs(tau_slip_neg(j))/state(ipc,ip,el)%p(j))**constitutive_phenopowerlaw_n_slip(instance))*&
sign(1.0_pReal,tau_slip_neg(j)) sign(1.0_pReal,tau_slip_neg(j))
Lp = Lp + (1.0_pReal-state(ipc,ip,el)%p(index_F))*& ! 1-F Lp = Lp + (1.0_pReal-state(ipc,ip,el)%p(index_F))*& ! 1-F
(gdot_slip_pos(j)+gdot_slip_neg(j))*lattice_Sslip(1:3,1:3,1,index_myFamily+i,structID) (gdot_slip_pos(j)+gdot_slip_neg(j))*lattice_Sslip(1:3,1:3,1,index_myFamily+i,phase)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! Calculation of the tangent of Lp ! Calculation of the tangent of Lp
@ -751,7 +707,7 @@ pure subroutine constitutive_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar
dgdot_dtauslip_pos(j) = gdot_slip_pos(j)*constitutive_phenopowerlaw_n_slip(instance)/tau_slip_pos(j) dgdot_dtauslip_pos(j) = gdot_slip_pos(j)*constitutive_phenopowerlaw_n_slip(instance)/tau_slip_pos(j)
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + & dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + &
dgdot_dtauslip_pos(j)*lattice_Sslip(k,l,1,index_myFamily+i,structID)* & dgdot_dtauslip_pos(j)*lattice_Sslip(k,l,1,index_myFamily+i,phase)* &
nonSchmid_tensor(m,n,1) nonSchmid_tensor(m,n,1)
endif endif
@ -759,7 +715,7 @@ pure subroutine constitutive_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar
dgdot_dtauslip_neg(j) = gdot_slip_neg(j)*constitutive_phenopowerlaw_n_slip(instance)/tau_slip_neg(j) dgdot_dtauslip_neg(j) = gdot_slip_neg(j)*constitutive_phenopowerlaw_n_slip(instance)/tau_slip_neg(j)
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + & dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + &
dgdot_dtauslip_neg(j)*lattice_Sslip(k,l,1,index_myFamily+i,structID)* & dgdot_dtauslip_neg(j)*lattice_Sslip(k,l,1,index_myFamily+i,phase)* &
nonSchmid_tensor(m,n,2) nonSchmid_tensor(m,n,2)
endif endif
enddo enddo
@ -767,18 +723,18 @@ pure subroutine constitutive_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar
j = 0_pInt j = 0_pInt
twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily
index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_phenopowerlaw_Ntwin(f,instance) ! process each (active) twin system in family do i = 1_pInt,constitutive_phenopowerlaw_Ntwin(f,instance) ! process each (active) twin system in family
j = j+1_pInt j = j+1_pInt
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! Calculation of Lp ! Calculation of Lp
tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(1:6,index_myFamily+i,structID)) tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(1:6,index_myFamily+i,phase))
gdot_twin(j) = (1.0_pReal-state(ipc,ip,el)%p(index_F))*& ! 1-F gdot_twin(j) = (1.0_pReal-state(ipc,ip,el)%p(index_F))*& ! 1-F
constitutive_phenopowerlaw_gdot0_twin(instance)*& constitutive_phenopowerlaw_gdot0_twin(instance)*&
(abs(tau_twin(j))/state(ipc,ip,el)%p(nSlip+j))**& (abs(tau_twin(j))/state(ipc,ip,el)%p(nSlip+j))**&
constitutive_phenopowerlaw_n_twin(instance)*max(0.0_pReal,sign(1.0_pReal,tau_twin(j))) constitutive_phenopowerlaw_n_twin(instance)*max(0.0_pReal,sign(1.0_pReal,tau_twin(j)))
Lp = Lp + gdot_twin(j)*lattice_Stwin(1:3,1:3,index_myFamily+i,structID) Lp = Lp + gdot_twin(j)*lattice_Stwin(1:3,1:3,index_myFamily+i,phase)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! Calculation of the tangent of Lp ! Calculation of the tangent of Lp
@ -786,8 +742,8 @@ pure subroutine constitutive_phenopowerlaw_LpAndItsTangent(Lp,dLp_dTstar99,Tstar
dgdot_dtautwin(j) = gdot_twin(j)*constitutive_phenopowerlaw_n_twin(instance)/tau_twin(j) dgdot_dtautwin(j) = gdot_twin(j)*constitutive_phenopowerlaw_n_twin(instance)/tau_twin(j)
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + & dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) + &
dgdot_dtautwin(j)*lattice_Stwin(k,l,index_myFamily+i,structID)* & dgdot_dtautwin(j)*lattice_Stwin(k,l,index_myFamily+i,phase)* &
lattice_Stwin(m,n,index_myFamily+i,structID) lattice_Stwin(m,n,index_myFamily+i,phase)
endif endif
enddo enddo
enddo twinFamiliesLoop enddo twinFamiliesLoop
@ -834,7 +790,7 @@ function constitutive_phenopowerlaw_dotState(Tstar_v,state,ipc,ip,el)
constitutive_phenopowerlaw_dotState constitutive_phenopowerlaw_dotState
integer(pInt) :: & integer(pInt) :: &
instance,structID, & instance,phase, &
nSlip,nTwin, & nSlip,nTwin, &
f,i,j,k, & f,i,j,k, &
index_Gamma,index_F,index_myFamily, & index_Gamma,index_F,index_myFamily, &
@ -848,9 +804,8 @@ function constitutive_phenopowerlaw_dotState(Tstar_v,state,ipc,ip,el)
real(pReal), dimension(constitutive_phenopowerlaw_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & real(pReal), dimension(constitutive_phenopowerlaw_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
gdot_twin,tau_twin,left_TwinSlip,left_TwinTwin,right_SlipTwin,right_TwinTwin gdot_twin,tau_twin,left_TwinSlip,left_TwinTwin,right_SlipTwin,right_TwinTwin
phase = material_phase(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el)) instance = phase_plasticityInstance(phase)
structID = constitutive_phenopowerlaw_structure(instance)
nSlip = constitutive_phenopowerlaw_totalNslip(instance) nSlip = constitutive_phenopowerlaw_totalNslip(instance)
nTwin = constitutive_phenopowerlaw_totalNtwin(instance) nTwin = constitutive_phenopowerlaw_totalNtwin(instance)
@ -878,7 +833,7 @@ function constitutive_phenopowerlaw_dotState(Tstar_v,state,ipc,ip,el)
ssat_offset = constitutive_phenopowerlaw_spr(instance)*sqrt(state(ipc,ip,el)%p(index_F)) ssat_offset = constitutive_phenopowerlaw_spr(instance)*sqrt(state(ipc,ip,el)%p(index_F))
j = 0_pInt j = 0_pInt
slipFamiliesLoop1: do f = 1_pInt,lattice_maxNslipFamily slipFamiliesLoop1: do f = 1_pInt,lattice_maxNslipFamily
index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_phenopowerlaw_Nslip(f,instance) ! process each (active) slip system in family do i = 1_pInt,constitutive_phenopowerlaw_Nslip(f,instance) ! process each (active) slip system in family
j = j+1_pInt j = j+1_pInt
left_SlipSlip(j) = 1.0_pReal ! no system-dependent left part left_SlipSlip(j) = 1.0_pReal ! no system-dependent left part
@ -892,13 +847,13 @@ function constitutive_phenopowerlaw_dotState(Tstar_v,state,ipc,ip,el)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! Calculation of dot gamma ! Calculation of dot gamma
tau_slip_pos(j) = dot_product(Tstar_v,lattice_Sslip_v(1:6,1,index_myFamily+i,structID)) tau_slip_pos(j) = dot_product(Tstar_v,lattice_Sslip_v(1:6,1,index_myFamily+i,phase))
tau_slip_neg(j) = tau_slip_pos(j) tau_slip_neg(j) = tau_slip_pos(j)
do k = 1,lattice_NnonSchmid(structID) do k = 1,lattice_NnonSchmid(phase)
tau_slip_pos(j) = tau_slip_pos(j) + constitutive_phenopowerlaw_nonSchmidCoeff(k,instance)* & tau_slip_pos(j) = tau_slip_pos(j) + constitutive_phenopowerlaw_nonSchmidCoeff(k,instance)* &
dot_product(Tstar_v,lattice_Sslip_v(1:6,2*k,index_myFamily+i,structID)) dot_product(Tstar_v,lattice_Sslip_v(1:6,2*k,index_myFamily+i,phase))
tau_slip_neg(j) = tau_slip_neg(j) + constitutive_phenopowerlaw_nonSchmidCoeff(k,instance)* & tau_slip_neg(j) = tau_slip_neg(j) + constitutive_phenopowerlaw_nonSchmidCoeff(k,instance)* &
dot_product(Tstar_v,lattice_Sslip_v(1:6,2*k+1,index_myFamily+i,structID)) dot_product(Tstar_v,lattice_Sslip_v(1:6,2*k+1,index_myFamily+i,phase))
enddo enddo
gdot_slip(j) = constitutive_phenopowerlaw_gdot0_slip(instance)*0.5_pReal* & gdot_slip(j) = constitutive_phenopowerlaw_gdot0_slip(instance)*0.5_pReal* &
((abs(tau_slip_pos(j))/state(ipc,ip,el)%p(j))**constitutive_phenopowerlaw_n_slip(instance) & ((abs(tau_slip_pos(j))/state(ipc,ip,el)%p(j))**constitutive_phenopowerlaw_n_slip(instance) &
@ -909,7 +864,7 @@ function constitutive_phenopowerlaw_dotState(Tstar_v,state,ipc,ip,el)
j = 0_pInt j = 0_pInt
twinFamiliesLoop1: do f = 1_pInt,lattice_maxNtwinFamily twinFamiliesLoop1: do f = 1_pInt,lattice_maxNtwinFamily
index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_phenopowerlaw_Ntwin(f,instance) ! process each (active) twin system in family do i = 1_pInt,constitutive_phenopowerlaw_Ntwin(f,instance) ! process each (active) twin system in family
j = j+1_pInt j = j+1_pInt
left_TwinSlip(j) = 1.0_pReal ! no system-dependent right part left_TwinSlip(j) = 1.0_pReal ! no system-dependent right part
@ -919,7 +874,7 @@ function constitutive_phenopowerlaw_dotState(Tstar_v,state,ipc,ip,el)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! Calculation of dot vol frac ! Calculation of dot vol frac
tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(1:6,index_myFamily+i,structID)) tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(1:6,index_myFamily+i,phase))
gdot_twin(j) = (1.0_pReal-state(ipc,ip,el)%p(index_F))*& ! 1-F gdot_twin(j) = (1.0_pReal-state(ipc,ip,el)%p(index_F))*& ! 1-F
constitutive_phenopowerlaw_gdot0_twin(instance)*& constitutive_phenopowerlaw_gdot0_twin(instance)*&
(abs(tau_twin(j))/state(ipc,ip,el)%p(nSlip+j))**& (abs(tau_twin(j))/state(ipc,ip,el)%p(nSlip+j))**&
@ -948,7 +903,7 @@ function constitutive_phenopowerlaw_dotState(Tstar_v,state,ipc,ip,el)
j = 0_pInt j = 0_pInt
twinFamiliesLoop2: do f = 1_pInt,lattice_maxNtwinFamily twinFamiliesLoop2: do f = 1_pInt,lattice_maxNtwinFamily
index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_phenopowerlaw_Ntwin(f,instance) ! process each (active) twin system in family do i = 1_pInt,constitutive_phenopowerlaw_Ntwin(f,instance) ! process each (active) twin system in family
j = j+1_pInt j = j+1_pInt
constitutive_phenopowerlaw_dotState(j+nSlip) = & ! evolution of twin resistance j constitutive_phenopowerlaw_dotState(j+nSlip) = & ! evolution of twin resistance j
@ -960,7 +915,7 @@ function constitutive_phenopowerlaw_dotState(Tstar_v,state,ipc,ip,el)
right_TwinTwin*gdot_twin) ! dot gamma_twin modulated by right-side twin factor right_TwinTwin*gdot_twin) ! dot gamma_twin modulated by right-side twin factor
if (state(ipc,ip,el)%p(index_F) < 0.98_pReal) & ! ensure twin volume fractions stays below 1.0 if (state(ipc,ip,el)%p(index_F) < 0.98_pReal) & ! ensure twin volume fractions stays below 1.0
constitutive_phenopowerlaw_dotState(index_F) = constitutive_phenopowerlaw_dotState(index_F) + & constitutive_phenopowerlaw_dotState(index_F) = constitutive_phenopowerlaw_dotState(index_F) + &
gdot_twin(j)/lattice_shearTwin(index_myFamily+i,structID) gdot_twin(j)/lattice_shearTwin(index_myFamily+i,phase)
constitutive_phenopowerlaw_dotState(offset_accshear_twin+j) = abs(gdot_twin(j)) constitutive_phenopowerlaw_dotState(offset_accshear_twin+j) = abs(gdot_twin(j))
enddo enddo
enddo twinFamiliesLoop2 enddo twinFamiliesLoop2
@ -1008,16 +963,15 @@ pure function constitutive_phenopowerlaw_postResults(Tstar_v,state,ipc,ip,el)
constitutive_phenopowerlaw_postResults constitutive_phenopowerlaw_postResults
integer(pInt) :: & integer(pInt) :: &
instance,structID, & instance,phase, &
nSlip,nTwin, & nSlip,nTwin, &
o,f,i,c,j,k, & o,f,i,c,j,k, &
index_Gamma,index_F,index_accshear_slip,index_accshear_twin,index_myFamily index_Gamma,index_F,index_accshear_slip,index_accshear_twin,index_myFamily
real(pReal) :: & real(pReal) :: &
tau_slip_pos,tau_slip_neg,tau tau_slip_pos,tau_slip_neg,tau
phase = material_phase(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el)) instance = phase_plasticityInstance(phase)
structID = constitutive_phenopowerlaw_structure(instance)
nSlip = constitutive_phenopowerlaw_totalNslip(instance) nSlip = constitutive_phenopowerlaw_totalNslip(instance)
nTwin = constitutive_phenopowerlaw_totalNtwin(instance) nTwin = constitutive_phenopowerlaw_totalNtwin(instance)
@ -1044,16 +998,16 @@ pure function constitutive_phenopowerlaw_postResults(Tstar_v,state,ipc,ip,el)
case (shearrate_slip_ID) case (shearrate_slip_ID)
j = 0_pInt j = 0_pInt
slipFamiliesLoop1: do f = 1_pInt,lattice_maxNslipFamily slipFamiliesLoop1: do f = 1_pInt,lattice_maxNslipFamily
index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_phenopowerlaw_Nslip(f,instance) ! process each (active) slip system in family do i = 1_pInt,constitutive_phenopowerlaw_Nslip(f,instance) ! process each (active) slip system in family
j = j + 1_pInt j = j + 1_pInt
tau_slip_pos = dot_product(Tstar_v,lattice_Sslip_v(1:6,1,index_myFamily+i,structID)) tau_slip_pos = dot_product(Tstar_v,lattice_Sslip_v(1:6,1,index_myFamily+i,phase))
tau_slip_neg = tau_slip_pos tau_slip_neg = tau_slip_pos
do k = 1,lattice_NnonSchmid(structID) do k = 1,lattice_NnonSchmid(phase)
tau_slip_pos = tau_slip_pos + constitutive_phenopowerlaw_nonSchmidCoeff(k,instance)* & tau_slip_pos = tau_slip_pos + constitutive_phenopowerlaw_nonSchmidCoeff(k,instance)* &
dot_product(Tstar_v,lattice_Sslip_v(1:6,2*k,index_myFamily+i,structID)) dot_product(Tstar_v,lattice_Sslip_v(1:6,2*k,index_myFamily+i,phase))
tau_slip_neg = tau_slip_neg + constitutive_phenopowerlaw_nonSchmidCoeff(k,instance)* & tau_slip_neg = tau_slip_neg + constitutive_phenopowerlaw_nonSchmidCoeff(k,instance)* &
dot_product(Tstar_v,lattice_Sslip_v(1:6,2*k+1,index_myFamily+i,structID)) dot_product(Tstar_v,lattice_Sslip_v(1:6,2*k+1,index_myFamily+i,phase))
enddo enddo
constitutive_phenopowerlaw_postResults(c+j) = constitutive_phenopowerlaw_gdot0_slip(instance)*0.5_pReal* & constitutive_phenopowerlaw_postResults(c+j) = constitutive_phenopowerlaw_gdot0_slip(instance)*0.5_pReal* &
((abs(tau_slip_pos)/state(ipc,ip,el)%p(j))**constitutive_phenopowerlaw_n_slip(instance) & ((abs(tau_slip_pos)/state(ipc,ip,el)%p(j))**constitutive_phenopowerlaw_n_slip(instance) &
@ -1066,11 +1020,11 @@ pure function constitutive_phenopowerlaw_postResults(Tstar_v,state,ipc,ip,el)
case (resolvedstress_slip_ID) case (resolvedstress_slip_ID)
j = 0_pInt j = 0_pInt
slipFamiliesLoop2: do f = 1_pInt,lattice_maxNslipFamily slipFamiliesLoop2: do f = 1_pInt,lattice_maxNslipFamily
index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_phenopowerlaw_Nslip(f,instance) ! process each (active) slip system in family do i = 1_pInt,constitutive_phenopowerlaw_Nslip(f,instance) ! process each (active) slip system in family
j = j + 1_pInt j = j + 1_pInt
constitutive_phenopowerlaw_postResults(c+j) = & constitutive_phenopowerlaw_postResults(c+j) = &
dot_product(Tstar_v,lattice_Sslip_v(1:6,1,index_myFamily+i,structID)) dot_product(Tstar_v,lattice_Sslip_v(1:6,1,index_myFamily+i,phase))
enddo enddo
enddo slipFamiliesLoop2 enddo slipFamiliesLoop2
c = c + nSlip c = c + nSlip
@ -1093,10 +1047,10 @@ pure function constitutive_phenopowerlaw_postResults(Tstar_v,state,ipc,ip,el)
case (shearrate_twin_ID) case (shearrate_twin_ID)
j = 0_pInt j = 0_pInt
twinFamiliesLoop1: do f = 1_pInt,lattice_maxNtwinFamily twinFamiliesLoop1: do f = 1_pInt,lattice_maxNtwinFamily
index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_phenopowerlaw_Ntwin(f,instance) ! process each (active) twin system in family do i = 1_pInt,constitutive_phenopowerlaw_Ntwin(f,instance) ! process each (active) twin system in family
j = j + 1_pInt j = j + 1_pInt
tau = dot_product(Tstar_v,lattice_Stwin_v(1:6,index_myFamily+i,structID)) tau = dot_product(Tstar_v,lattice_Stwin_v(1:6,index_myFamily+i,phase))
constitutive_phenopowerlaw_postResults(c+j) = (1.0_pReal-state(ipc,ip,el)%p(index_F))*& ! 1-F constitutive_phenopowerlaw_postResults(c+j) = (1.0_pReal-state(ipc,ip,el)%p(index_F))*& ! 1-F
constitutive_phenopowerlaw_gdot0_twin(instance)*& constitutive_phenopowerlaw_gdot0_twin(instance)*&
(abs(tau)/state(ipc,ip,el)%p(j+nSlip))**& (abs(tau)/state(ipc,ip,el)%p(j+nSlip))**&
@ -1108,11 +1062,11 @@ pure function constitutive_phenopowerlaw_postResults(Tstar_v,state,ipc,ip,el)
case (resolvedstress_twin_ID) case (resolvedstress_twin_ID)
j = 0_pInt j = 0_pInt
twinFamiliesLoop2: do f = 1_pInt,lattice_maxNtwinFamily twinFamiliesLoop2: do f = 1_pInt,lattice_maxNtwinFamily
index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_phenopowerlaw_Ntwin(f,instance) ! process each (active) twin system in family do i = 1_pInt,constitutive_phenopowerlaw_Ntwin(f,instance) ! process each (active) twin system in family
j = j + 1_pInt j = j + 1_pInt
constitutive_phenopowerlaw_postResults(c+j) = & constitutive_phenopowerlaw_postResults(c+j) = &
dot_product(Tstar_v,lattice_Stwin_v(1:6,index_myFamily+i,structID)) dot_product(Tstar_v,lattice_Stwin_v(1:6,index_myFamily+i,phase))
enddo enddo
enddo twinFamiliesLoop2 enddo twinFamiliesLoop2
c = c + nTwin c = c + nTwin

291
code/constitutive_titanmod.f90
View File

@ -28,8 +28,6 @@ module constitutive_titanmod
use prec, only: & use prec, only: &
pReal, & pReal, &
pInt pInt
use lattice, only: &
LATTICE_undefined_ID
implicit none implicit none
private private
@ -65,13 +63,9 @@ module constitutive_titanmod
constitutive_titanmod_output !< name of each post result output constitutive_titanmod_output !< name of each post result output
integer(pInt), dimension(:), allocatable, private :: & integer(pInt), dimension(:), allocatable, private :: &
constitutive_titanmod_Noutput !< number of outputs per instance of this plasticity constitutive_titanmod_Noutput !< number of outputs per instance of this plasticity !< ID of the lattice structure
integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public :: &
constitutive_titanmod_structureID !< ID of the lattice structure
integer(pInt), dimension(:), allocatable, private :: & integer(pInt), dimension(:), allocatable, private :: &
constitutive_titanmod_structure, & !< number representing the kind of lattice structure
constitutive_titanmod_totalNslip, & !< total number of active slip systems for each instance constitutive_titanmod_totalNslip, & !< total number of active slip systems for each instance
constitutive_titanmod_totalNtwin !< total number of active twin systems for each instance constitutive_titanmod_totalNtwin !< total number of active twin systems for each instance
@ -84,10 +78,8 @@ module constitutive_titanmod
constitutive_titanmod_twinSystemLattice !< lookup table relating active twin system index to lattice twin system index for each instance constitutive_titanmod_twinSystemLattice !< lookup table relating active twin system index to lattice twin system index for each instance
real(pReal), dimension(:), allocatable, private :: & real(pReal), dimension(:), allocatable, private :: &
constitutive_titanmod_CoverA, & !< c/a ratio for hex type lattice
constitutive_titanmod_debyefrequency, & !< Debye frequency constitutive_titanmod_debyefrequency, & !< Debye frequency
constitutive_titanmod_kinkf0, & !< constitutive_titanmod_kinkf0, & !<
constitutive_titanmod_Gmod, & !< shear modulus
constitutive_titanmod_CAtomicVolume, & !< atomic volume in Bugers vector unit constitutive_titanmod_CAtomicVolume, & !< atomic volume in Bugers vector unit
constitutive_titanmod_dc, & !< prefactor for self-diffusion coefficient constitutive_titanmod_dc, & !< prefactor for self-diffusion coefficient
constitutive_titanmod_twinhpconstant, & !< activation energy for dislocation climb constitutive_titanmod_twinhpconstant, & !< activation energy for dislocation climb
@ -160,7 +152,6 @@ module constitutive_titanmod
constitutive_titanmod_interactionTwinTwin !< coefficients for twin-twin interaction for each interaction type and instance constitutive_titanmod_interactionTwinTwin !< coefficients for twin-twin interaction for each interaction type and instance
real(pReal), dimension(:,:,:), allocatable, private :: & real(pReal), dimension(:,:,:), allocatable, private :: &
constitutive_titanmod_Cslip_66, & !< elasticity matrix in Mandel notation for each instance
constitutive_titanmod_interactionMatrixSlipSlip, & !< interaction matrix of the different slip systems for each instance constitutive_titanmod_interactionMatrixSlipSlip, & !< interaction matrix of the different slip systems for each instance
constitutive_titanmod_interactionMatrix_ee, & !< interaction matrix of e-e for each instance constitutive_titanmod_interactionMatrix_ee, & !< interaction matrix of e-e for each instance
constitutive_titanmod_interactionMatrix_ss, & !< interaction matrix of s-s for each instance constitutive_titanmod_interactionMatrix_ss, & !< interaction matrix of s-s for each instance
@ -174,13 +165,11 @@ module constitutive_titanmod
constitutive_titanmod_TwinforestProjectionScrew !< matrix of forest projections of screw dislocations in twin system for each instance constitutive_titanmod_TwinforestProjectionScrew !< matrix of forest projections of screw dislocations in twin system for each instance
real(pReal), dimension(:,:,:,:), allocatable, private :: & real(pReal), dimension(:,:,:,:), allocatable, private :: &
constitutive_titanmod_Ctwin_66 !< twin elasticity matrix in Mandel notation for each instance constitutive_titanmod_Ctwin66 !< twin elasticity matrix in Mandel notation for each instance
real(pReal), dimension(:,:,:,:,:), allocatable, private :: &
constitutive_titanmod_Cslip_3333 !< elasticity matrix for each instance
real(pReal), dimension(:,:,:,:,:,:), allocatable, private :: & real(pReal), dimension(:,:,:,:,:,:), allocatable, private :: &
constitutive_titanmod_Ctwin_3333 !< twin elasticity matrix for each instance constitutive_titanmod_Ctwin3333 !< twin elasticity matrix for each instance
enum, bind(c) enum, bind(c)
enumerator :: undefined_ID, & enumerator :: undefined_ID, &
rhoedge_ID, rhoscrew_ID, & rhoedge_ID, rhoscrew_ID, &
@ -256,9 +245,8 @@ subroutine constitutive_titanmod_init(fileUnit)
integer(pInt), parameter :: MAXNCHUNKS = LATTICE_maxNinteraction + 1_pInt integer(pInt), parameter :: MAXNCHUNKS = LATTICE_maxNinteraction + 1_pInt
integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions
integer(pInt), dimension(7) :: configNchunks
integer(pInt) :: & integer(pInt) :: &
section = 0_pInt, & phase, &
instance, j, k, l, m, n, p, q, r, & instance, j, k, l, m, n, p, q, r, &
f, o, & f, o, &
s, s1, s2, & s, s1, s2, &
@ -266,10 +254,8 @@ subroutine constitutive_titanmod_init(fileUnit)
ns, nt, & ns, nt, &
Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, & Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, &
Nchunks_SlipFamilies, Nchunks_TwinFamilies, & Nchunks_SlipFamilies, Nchunks_TwinFamilies, &
mySize, structID, & mySize, &
maxTotalNslip,maxTotalNtwin, maxNinstance maxTotalNslip,maxTotalNtwin, maxNinstance
character(len=32) :: &
structure = ''
character(len=65536) :: & character(len=65536) :: &
tag = '', & tag = '', &
line = '' line = ''
@ -285,14 +271,6 @@ subroutine constitutive_titanmod_init(fileUnit)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) &
write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance
Nchunks_SlipFamilies = lattice_maxNslipFamily
Nchunks_TwinFamilies = lattice_maxNtwinFamily
Nchunks_SlipSlip = lattice_maxNinteraction
Nchunks_SlipTwin = lattice_maxNinteraction
Nchunks_TwinSlip = lattice_maxNinteraction
Nchunks_TwinTwin = lattice_maxNinteraction
allocate(constitutive_titanmod_sizeDotState(maxNinstance), source=0_pInt) allocate(constitutive_titanmod_sizeDotState(maxNinstance), source=0_pInt)
allocate(constitutive_titanmod_sizeState(maxNinstance), source=0_pInt) allocate(constitutive_titanmod_sizeState(maxNinstance), source=0_pInt)
allocate(constitutive_titanmod_sizePostResults(maxNinstance), source=0_pInt) allocate(constitutive_titanmod_sizePostResults(maxNinstance), source=0_pInt)
@ -302,8 +280,6 @@ subroutine constitutive_titanmod_init(fileUnit)
allocate(constitutive_titanmod_outputID(maxval(phase_Noutput),maxNinstance), source=undefined_ID) allocate(constitutive_titanmod_outputID(maxval(phase_Noutput),maxNinstance), source=undefined_ID)
allocate(constitutive_titanmod_Noutput(maxNinstance), source=0_pInt) allocate(constitutive_titanmod_Noutput(maxNinstance), source=0_pInt)
allocate(constitutive_titanmod_structureID(maxNinstance), source=LATTICE_undefined_ID)
allocate(constitutive_titanmod_structure(maxNinstance), source=0_pInt)
allocate(constitutive_titanmod_Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt) allocate(constitutive_titanmod_Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt)
allocate(constitutive_titanmod_Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt) allocate(constitutive_titanmod_Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt)
allocate(constitutive_titanmod_slipFamily(lattice_maxNslip,maxNinstance), source=0_pInt) allocate(constitutive_titanmod_slipFamily(lattice_maxNslip,maxNinstance), source=0_pInt)
@ -312,10 +288,8 @@ subroutine constitutive_titanmod_init(fileUnit)
allocate(constitutive_titanmod_twinSystemLattice(lattice_maxNtwin,maxNinstance), source=0_pInt) allocate(constitutive_titanmod_twinSystemLattice(lattice_maxNtwin,maxNinstance), source=0_pInt)
allocate(constitutive_titanmod_totalNslip(maxNinstance), source=0_pInt) allocate(constitutive_titanmod_totalNslip(maxNinstance), source=0_pInt)
allocate(constitutive_titanmod_totalNtwin(maxNinstance), source=0_pInt) allocate(constitutive_titanmod_totalNtwin(maxNinstance), source=0_pInt)
allocate(constitutive_titanmod_CoverA(maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_debyefrequency(maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_debyefrequency(maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_kinkf0(maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_kinkf0(maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_Gmod(maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_CAtomicVolume(maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_CAtomicVolume(maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_dc(maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_dc(maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_twinhpconstant(maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_twinhpconstant(maxNinstance), source=0.0_pReal)
@ -326,8 +300,6 @@ subroutine constitutive_titanmod_init(fileUnit)
allocate(constitutive_titanmod_Cmfptwin(maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_Cmfptwin(maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_Cthresholdtwin(maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_Cthresholdtwin(maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_aTolRho(maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_aTolRho(maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_Cslip_66(6,6,maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_Cslip_3333(3,3,3,3,maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_rho_edge0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_rho_edge0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_rho_screw0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_rho_screw0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_shear_system0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_shear_system0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal)
@ -366,11 +338,12 @@ subroutine constitutive_titanmod_init(fileUnit)
allocate(constitutive_titanmod_interactionTwinTwin(lattice_maxNinteraction,maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_interactionTwinTwin(lattice_maxNinteraction,maxNinstance), source=0.0_pReal)
rewind(fileUnit) rewind(fileUnit)
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= MATERIAL_partPhase) ! wind forward to <phase> phase = 0_pInt
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partPhase) ! wind forward to <phase>
line = IO_read(fileUnit) line = IO_read(fileUnit)
enddo enddo
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) line = IO_read(fileUnit)
if (IO_isBlank(line)) cycle ! skip empty lines if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') then ! stop at next part if (IO_getTag(line,'<','>') /= '') then ! stop at next part
@ -378,17 +351,25 @@ subroutine constitutive_titanmod_init(fileUnit)
exit exit
endif endif
if (IO_getTag(line,'[',']') /= '') then ! next section if (IO_getTag(line,'[',']') /= '') then ! next section
section = section + 1_pInt ! advance section counter phase = phase + 1_pInt ! advance section counter
if (phase_plasticity(phase) == PLASTICITY_TITANMOD_ID) then
Nchunks_SlipFamilies = count(lattice_NslipSystem(:,phase) > 0_pInt)
Nchunks_TwinFamilies = count(lattice_NtwinSystem(:,phase) > 0_pInt)
Nchunks_SlipSlip = maxval(lattice_interactionSlipSlip(:,:,phase))
Nchunks_SlipTwin = maxval(lattice_interactionSlipTwin(:,:,phase))
Nchunks_TwinSlip = maxval(lattice_interactionTwinSlip(:,:,phase))
Nchunks_TwinTwin = maxval(lattice_interactionTwinTwin(:,:,phase))
endif
cycle ! skip to next line cycle ! skip to next line
endif endif
if (section > 0_pInt ) then ! do not short-circuit here (.and. with next if-statement). It's not safe in Fortran if (phase > 0_pInt ) then; if (phase_plasticity(phase) == PLASTICITY_TITANMOD_ID) then ! one of my sections. Do not short-circuit here (.and. between if-statements), it's not safe in Fortran
if (phase_plasticity(section) == PLASTICITY_TITANMOD_ID) then ! one of my sections instance = phase_plasticityInstance(phase) ! which instance of my plasticity is present phase
instance = phase_plasticityInstance(section) ! which instance of my plasticity is present phase
positions = IO_stringPos(line,MAXNCHUNKS) positions = IO_stringPos(line,MAXNCHUNKS)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag) select case(tag)
case ('plasticity','elasticity') case ('plasticity','elasticity','lattice_structure', &
cycle 'covera_ratio','c/a_ratio','c/a', &
'c11','c12','c13','c22','c23','c33','c44','c55','c66')
case ('(output)') case ('(output)')
constitutive_titanmod_Noutput(instance) = constitutive_titanmod_Noutput(instance) + 1_pInt constitutive_titanmod_Noutput(instance) = constitutive_titanmod_Noutput(instance) + 1_pInt
constitutive_titanmod_output(constitutive_titanmod_Noutput(instance),instance) = & constitutive_titanmod_output(constitutive_titanmod_Noutput(instance),instance) = &
@ -455,47 +436,6 @@ subroutine constitutive_titanmod_init(fileUnit)
case default case default
call IO_error(105_pInt,ext_msg=IO_stringValue(line,positions,2_pInt)//' ('//PLASTICITY_TITANMOD_label//')') call IO_error(105_pInt,ext_msg=IO_stringValue(line,positions,2_pInt)//' ('//PLASTICITY_TITANMOD_label//')')
end select end select
case ('lattice_structure')
structure = IO_lc(IO_stringValue(line,positions,2_pInt))
select case(structure(1:3))
case(LATTICE_iso_label)
constitutive_titanmod_structureID(instance) = LATTICE_iso_ID
case(LATTICE_fcc_label)
constitutive_titanmod_structureID(instance) = LATTICE_fcc_ID
case(LATTICE_bcc_label)
constitutive_titanmod_structureID(instance) = LATTICE_bcc_ID
case(LATTICE_hex_label)
constitutive_titanmod_structureID(instance) = LATTICE_hex_ID
case(LATTICE_ort_label)
constitutive_titanmod_structureID(instance) = LATTICE_ort_ID
end select
configNchunks = lattice_configNchunks(constitutive_titanmod_structureID(instance))
Nchunks_SlipFamilies = configNchunks(1)
Nchunks_TwinFamilies = configNchunks(2)
Nchunks_SlipSlip = configNchunks(3)
Nchunks_SlipTwin = configNchunks(4)
Nchunks_TwinSlip = configNchunks(5)
Nchunks_TwinTwin = configNchunks(6)
case ('covera_ratio')
constitutive_titanmod_CoverA(instance) = IO_floatValue(line,positions,2_pInt)
case ('c11')
constitutive_titanmod_Cslip_66(1,1,instance) = IO_floatValue(line,positions,2_pInt)
case ('c12')
constitutive_titanmod_Cslip_66(1,2,instance) = IO_floatValue(line,positions,2_pInt)
case ('c13')
constitutive_titanmod_Cslip_66(1,3,instance) = IO_floatValue(line,positions,2_pInt)
case ('c22')
constitutive_titanmod_Cslip_66(2,2,instance) = IO_floatValue(line,positions,2_pInt)
case ('c23')
constitutive_titanmod_Cslip_66(2,3,instance) = IO_floatValue(line,positions,2_pInt)
case ('c33')
constitutive_titanmod_Cslip_66(3,3,instance) = IO_floatValue(line,positions,2_pInt)
case ('c44')
constitutive_titanmod_Cslip_66(4,4,instance) = IO_floatValue(line,positions,2_pInt)
case ('c55')
constitutive_titanmod_Cslip_66(5,5,instance) = IO_floatValue(line,positions,2_pInt)
case ('c66')
constitutive_titanmod_Cslip_66(1,3,instance) = IO_floatValue(line,positions,2_pInt)
case ('debyefrequency') case ('debyefrequency')
constitutive_titanmod_debyefrequency(instance) = IO_floatValue(line,positions,2_pInt) constitutive_titanmod_debyefrequency(instance) = IO_floatValue(line,positions,2_pInt)
case ('kinkf0') case ('kinkf0')
@ -665,17 +605,12 @@ subroutine constitutive_titanmod_init(fileUnit)
case default case default
call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_TITANMOD_label//')') call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_TITANMOD_label//')')
end select end select
endif endif; endif
endif enddo parsingFile
enddo
sanityChecks: do instance = 1_pInt,maxNinstance sanityChecks: do phase = 1_pInt, size(phase_plasticity)
constitutive_titanmod_structure(instance) = & myPhase: if (phase_plasticity(phase) == PLASTICITY_TITANMOD_ID) then
lattice_initializeStructure(constitutive_titanmod_structureID(instance),constitutive_titanmod_CoverA(instance)) instance = phase_plasticityInstance(phase)
structID = constitutive_titanmod_structure(instance)
if (structID < 1_pInt) &
call IO_error(205_pInt,el=instance)
if (sum(constitutive_titanmod_Nslip(:,instance)) <= 0_pInt) & if (sum(constitutive_titanmod_Nslip(:,instance)) <= 0_pInt) &
call IO_error(211_pInt,el=instance,ext_msg='nslip ('//PLASTICITY_TITANMOD_label//')') call IO_error(211_pInt,el=instance,ext_msg='nslip ('//PLASTICITY_TITANMOD_label//')')
if (sum(constitutive_titanmod_Ntwin(:,instance)) < 0_pInt) & if (sum(constitutive_titanmod_Ntwin(:,instance)) < 0_pInt) &
@ -729,10 +664,11 @@ subroutine constitutive_titanmod_init(fileUnit)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! determine total number of active slip or twin systems ! determine total number of active slip or twin systems
constitutive_titanmod_Nslip(:,instance) = min(lattice_NslipSystem(:,structID),constitutive_titanmod_Nslip(:,instance)) constitutive_titanmod_Nslip(:,instance) = min(lattice_NslipSystem(:,phase),constitutive_titanmod_Nslip(:,instance))
constitutive_titanmod_Ntwin(:,instance) = min(lattice_NtwinSystem(:,structID),constitutive_titanmod_Ntwin(:,instance)) constitutive_titanmod_Ntwin(:,instance) = min(lattice_NtwinSystem(:,phase),constitutive_titanmod_Ntwin(:,instance))
constitutive_titanmod_totalNslip(instance) = sum(constitutive_titanmod_Nslip(:,instance)) constitutive_titanmod_totalNslip(instance) = sum(constitutive_titanmod_Nslip(:,instance))
constitutive_titanmod_totalNtwin(instance) = sum(constitutive_titanmod_Ntwin(:,instance)) constitutive_titanmod_totalNtwin(instance) = sum(constitutive_titanmod_Ntwin(:,instance))
endif myPhase
enddo sanityChecks enddo sanityChecks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -766,8 +702,8 @@ subroutine constitutive_titanmod_init(fileUnit)
allocate(constitutive_titanmod_twingamma0_PerTwinSys(maxTotalNTwin,maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_twingamma0_PerTwinSys(maxTotalNTwin,maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_twinsizePerTwinSys(maxTotalNtwin, maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_twinsizePerTwinSys(maxTotalNtwin, maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_twinLambdaSlipPerTwinSys(maxTotalNtwin, maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_twinLambdaSlipPerTwinSys(maxTotalNtwin, maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_Ctwin_66 (6,6,maxTotalNtwin,maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_Ctwin66 (6,6,maxTotalNtwin,maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_Ctwin_3333 (3,3,3,3,maxTotalNtwin,maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_Ctwin3333 (3,3,3,3,maxTotalNtwin,maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_interactionMatrixSlipSlip(maxTotalNslip,maxTotalNslip,maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_interactionMatrixSlipSlip(maxTotalNslip,maxTotalNslip,maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_interactionMatrix_ee(maxTotalNslip,maxTotalNslip,maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_interactionMatrix_ee(maxTotalNslip,maxTotalNslip,maxNinstance), source=0.0_pReal)
@ -781,8 +717,9 @@ subroutine constitutive_titanmod_init(fileUnit)
allocate(constitutive_titanmod_TwinforestProjectionEdge(maxTotalNtwin,maxTotalNtwin,maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_TwinforestProjectionEdge(maxTotalNtwin,maxTotalNtwin,maxNinstance), source=0.0_pReal)
allocate(constitutive_titanmod_TwinforestProjectionScrew(maxTotalNtwin,maxTotalNtwin,maxNinstance), source=0.0_pReal) allocate(constitutive_titanmod_TwinforestProjectionScrew(maxTotalNtwin,maxTotalNtwin,maxNinstance), source=0.0_pReal)
instancesLoop: do instance = 1_pInt,maxNinstance initializeInstances: do phase = 1_pInt, size(phase_plasticity)
structID = constitutive_titanmod_structure(instance) if (phase_plasticity(phase) == PLASTICITY_TITANMOD_ID) then
instance = phase_plasticityInstance(phase)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! inverse lookup of slip system family ! inverse lookup of slip system family
@ -791,7 +728,7 @@ subroutine constitutive_titanmod_init(fileUnit)
do s = 1_pInt,constitutive_titanmod_Nslip(f,instance) do s = 1_pInt,constitutive_titanmod_Nslip(f,instance)
l = l + 1_pInt l = l + 1_pInt
constitutive_titanmod_slipFamily(l,instance) = f constitutive_titanmod_slipFamily(l,instance) = f
constitutive_titanmod_slipSystemLattice(l,instance) = sum(lattice_NslipSystem(1:f-1_pInt,structID)) + s constitutive_titanmod_slipSystemLattice(l,instance) = sum(lattice_NslipSystem(1:f-1_pInt,phase)) + s
enddo; enddo enddo; enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -801,7 +738,7 @@ subroutine constitutive_titanmod_init(fileUnit)
do t = 1_pInt,constitutive_titanmod_Ntwin(f,instance) do t = 1_pInt,constitutive_titanmod_Ntwin(f,instance)
l = l + 1_pInt l = l + 1_pInt
constitutive_titanmod_twinFamily(l,instance) = f constitutive_titanmod_twinFamily(l,instance) = f
constitutive_titanmod_twinSystemLattice(l,instance) = sum(lattice_NtwinSystem(1:f-1_pInt,structID)) + t constitutive_titanmod_twinSystemLattice(l,instance) = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) + t
enddo; enddo enddo; enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -849,34 +786,23 @@ subroutine constitutive_titanmod_init(fileUnit)
endif outputFound endif outputFound
enddo outputsLoop enddo outputsLoop
constitutive_titanmod_Cslip_66(1:6,1:6,instance) = &
lattice_symmetrizeC66(constitutive_titanmod_structureID(instance),&
constitutive_titanmod_Cslip_66(1:6,1:6,instance)) ! assign elasticity tensor
constitutive_titanmod_Gmod(instance) = &
0.2_pReal*(constitutive_titanmod_Cslip_66(1,1,instance)-constitutive_titanmod_Cslip_66(1,2,instance))&
+ 0.3_pReal*constitutive_titanmod_Cslip_66(4,4,instance)
constitutive_titanmod_Cslip_66(1:6,1:6,instance) = &
math_Mandel3333to66(math_Voigt66to3333(constitutive_titanmod_Cslip_66(1:6,1:6,instance)))
constitutive_titanmod_Cslip_3333(1:3,1:3,1:3,1:3,instance) = &
math_Voigt66to3333(constitutive_titanmod_Cslip_66(1:6,1:6,instance))
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! construction of the twin elasticity matrices ! construction of the twin elasticity matrices
do j=1_pInt,lattice_maxNtwinFamily do j=1_pInt,lattice_maxNtwinFamily
do k=1_pInt,constitutive_titanmod_Ntwin(j,instance) do k=1_pInt,constitutive_titanmod_Ntwin(j,instance)
do l=1_pInt,3_pInt ; do m=1_pInt,3_pInt ; do n=1_pInt,3_pInt ; do o=1_pInt,3_pInt do l=1_pInt,3_pInt ; do m=1_pInt,3_pInt ; do n=1_pInt,3_pInt ; do o=1_pInt,3_pInt
do p=1_pInt,3_pInt ; do q=1_pInt,3_pInt ; do r=1_pInt,3_pInt ; do s=1_pInt,3_pInt do p=1_pInt,3_pInt ; do q=1_pInt,3_pInt ; do r=1_pInt,3_pInt ; do s=1_pInt,3_pInt
constitutive_titanmod_Ctwin_3333(l,m,n,o,sum(constitutive_titanmod_Nslip(1:j-1_pInt,instance))+k,instance) = & constitutive_titanmod_Ctwin3333(l,m,n,o,sum(constitutive_titanmod_Nslip(1:j-1_pInt,instance))+k,instance) = &
constitutive_titanmod_Ctwin_3333(l,m,n,o,sum(constitutive_titanmod_Nslip(1:j-1_pInt,instance))+k,instance) + & constitutive_titanmod_Ctwin3333(l,m,n,o,sum(constitutive_titanmod_Nslip(1:j-1_pInt,instance))+k,instance) + &
constitutive_titanmod_Cslip_3333(p,q,r,s,instance)*& lattice_C3333(p,q,r,s,phase)*&
lattice_Qtwin(l,p,sum(lattice_NslipSystem(1:j-1_pInt,structID))+k,structID)* & lattice_Qtwin(l,p,sum(lattice_NslipSystem(1:j-1_pInt,phase))+k,phase)* &
lattice_Qtwin(m,q,sum(lattice_NslipSystem(1:j-1_pInt,structID))+k,structID)* & lattice_Qtwin(m,q,sum(lattice_NslipSystem(1:j-1_pInt,phase))+k,phase)* &
lattice_Qtwin(n,r,sum(lattice_NslipSystem(1:j-1_pInt,structID))+k,structID)* & lattice_Qtwin(n,r,sum(lattice_NslipSystem(1:j-1_pInt,phase))+k,phase)* &
lattice_Qtwin(o,s,sum(lattice_NslipSystem(1:j-1_pInt,structID))+k,structID) lattice_Qtwin(o,s,sum(lattice_NslipSystem(1:j-1_pInt,phase))+k,phase)
enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo
enddo; enddo; enddo ; enddo enddo; enddo; enddo ; enddo
constitutive_titanmod_Ctwin_66(1:6,1:6,k,instance) = & constitutive_titanmod_Ctwin66(1:6,1:6,k,instance) = &
math_Mandel3333to66(constitutive_titanmod_Ctwin_3333(1:3,1:3,1:3,1:3,k,instance)) math_Mandel3333to66(constitutive_titanmod_Ctwin3333(1:3,1:3,1:3,1:3,k,instance))
enddo; enddo enddo; enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -970,22 +896,22 @@ subroutine constitutive_titanmod_init(fileUnit)
constitutive_titanmod_interactionMatrixSlipSlip(s1,s2,instance) = & constitutive_titanmod_interactionMatrixSlipSlip(s1,s2,instance) = &
constitutive_titanmod_interactionSlipSlip(lattice_interactionSlipSlip( & constitutive_titanmod_interactionSlipSlip(lattice_interactionSlipSlip( &
constitutive_titanmod_slipSystemLattice(s1,instance),& constitutive_titanmod_slipSystemLattice(s1,instance),&
constitutive_titanmod_slipSystemLattice(s2,instance),structID),instance) constitutive_titanmod_slipSystemLattice(s2,instance),phase),instance)
constitutive_titanmod_interactionMatrix_ee(s1,s2,instance) = & constitutive_titanmod_interactionMatrix_ee(s1,s2,instance) = &
constitutive_titanmod_interaction_ee(lattice_interactionSlipSlip ( & constitutive_titanmod_interaction_ee(lattice_interactionSlipSlip ( &
constitutive_titanmod_slipSystemLattice(s1,instance), & constitutive_titanmod_slipSystemLattice(s1,instance), &
constitutive_titanmod_slipSystemLattice(s2,instance), structID),instance) constitutive_titanmod_slipSystemLattice(s2,instance), phase),instance)
constitutive_titanmod_interactionMatrix_ss(s1,s2,instance) = & constitutive_titanmod_interactionMatrix_ss(s1,s2,instance) = &
constitutive_titanmod_interaction_ss(lattice_interactionSlipSlip( & constitutive_titanmod_interaction_ss(lattice_interactionSlipSlip( &
constitutive_titanmod_slipSystemLattice(s1,instance), & constitutive_titanmod_slipSystemLattice(s1,instance), &
constitutive_titanmod_slipSystemLattice(s2,instance), structID),instance) constitutive_titanmod_slipSystemLattice(s2,instance), phase),instance)
constitutive_titanmod_interactionMatrix_es(s1,s2,instance) = & constitutive_titanmod_interactionMatrix_es(s1,s2,instance) = &
constitutive_titanmod_interaction_es(lattice_interactionSlipSlip( & constitutive_titanmod_interaction_es(lattice_interactionSlipSlip( &
constitutive_titanmod_slipSystemLattice(s1,instance), & constitutive_titanmod_slipSystemLattice(s1,instance), &
constitutive_titanmod_slipSystemLattice(s2,instance), structID),instance) constitutive_titanmod_slipSystemLattice(s2,instance), phase),instance)
enddo; enddo enddo; enddo
do s1 = 1_pInt,constitutive_titanmod_totalNslip(instance) do s1 = 1_pInt,constitutive_titanmod_totalNslip(instance)
@ -993,7 +919,7 @@ subroutine constitutive_titanmod_init(fileUnit)
constitutive_titanmod_interactionMatrixSlipTwin(s1,t2,instance) = & constitutive_titanmod_interactionMatrixSlipTwin(s1,t2,instance) = &
constitutive_titanmod_interactionSlipTwin(lattice_interactionSlipTwin( & constitutive_titanmod_interactionSlipTwin(lattice_interactionSlipTwin( &
constitutive_titanmod_slipSystemLattice(s1,instance), & constitutive_titanmod_slipSystemLattice(s1,instance), &
constitutive_titanmod_twinSystemLattice(t2,instance), structID),instance) constitutive_titanmod_twinSystemLattice(t2,instance), phase),instance)
enddo; enddo enddo; enddo
do t1 = 1_pInt,constitutive_titanmod_totalNtwin(instance) do t1 = 1_pInt,constitutive_titanmod_totalNtwin(instance)
@ -1001,7 +927,7 @@ subroutine constitutive_titanmod_init(fileUnit)
constitutive_titanmod_interactionMatrixTwinSlip(t1,s2,instance) = & constitutive_titanmod_interactionMatrixTwinSlip(t1,s2,instance) = &
constitutive_titanmod_interactionTwinSlip(lattice_interactionTwinSlip( & constitutive_titanmod_interactionTwinSlip(lattice_interactionTwinSlip( &
constitutive_titanmod_twinSystemLattice(t1,instance), & constitutive_titanmod_twinSystemLattice(t1,instance), &
constitutive_titanmod_slipSystemLattice(s2,instance), structID),instance) constitutive_titanmod_slipSystemLattice(s2,instance), phase),instance)
enddo; enddo enddo; enddo
do t1 = 1_pInt,constitutive_titanmod_totalNtwin(instance) do t1 = 1_pInt,constitutive_titanmod_totalNtwin(instance)
@ -1009,7 +935,7 @@ subroutine constitutive_titanmod_init(fileUnit)
constitutive_titanmod_interactionMatrixTwinTwin(t1,t2,instance) = & constitutive_titanmod_interactionMatrixTwinTwin(t1,t2,instance) = &
constitutive_titanmod_interactionTwinTwin(lattice_interactionTwinTwin( & constitutive_titanmod_interactionTwinTwin(lattice_interactionTwinTwin( &
constitutive_titanmod_twinSystemLattice(t1,instance), & constitutive_titanmod_twinSystemLattice(t1,instance), &
constitutive_titanmod_twinSystemLattice(t2,instance), structID),instance) constitutive_titanmod_twinSystemLattice(t2,instance), phase),instance)
enddo; enddo enddo; enddo
do s1 = 1_pInt,constitutive_titanmod_totalNslip(instance) do s1 = 1_pInt,constitutive_titanmod_totalNslip(instance)
@ -1017,14 +943,14 @@ subroutine constitutive_titanmod_init(fileUnit)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculation of forest projections for edge dislocations ! calculation of forest projections for edge dislocations
constitutive_titanmod_forestProjectionEdge(s1,s2,instance) = & constitutive_titanmod_forestProjectionEdge(s1,s2,instance) = &
abs(math_mul3x3(lattice_sn(:,constitutive_titanmod_slipSystemLattice(s1,instance),structID), & abs(math_mul3x3(lattice_sn(:,constitutive_titanmod_slipSystemLattice(s1,instance),phase), &
lattice_st(:,constitutive_titanmod_slipSystemLattice(s2,instance),structID))) lattice_st(:,constitutive_titanmod_slipSystemLattice(s2,instance),phase)))
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculation of forest projections for screw dislocations ! calculation of forest projections for screw dislocations
constitutive_titanmod_forestProjectionScrew(s1,s2,instance) = & constitutive_titanmod_forestProjectionScrew(s1,s2,instance) = &
abs(math_mul3x3(lattice_sn(:,constitutive_titanmod_slipSystemLattice(s1,instance),structID), & abs(math_mul3x3(lattice_sn(:,constitutive_titanmod_slipSystemLattice(s1,instance),phase), &
lattice_sd(:,constitutive_titanmod_slipSystemLattice(s2,instance),structID))) lattice_sd(:,constitutive_titanmod_slipSystemLattice(s2,instance),phase)))
enddo; enddo enddo; enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -1032,17 +958,18 @@ subroutine constitutive_titanmod_init(fileUnit)
do t1 = 1_pInt,constitutive_titanmod_totalNtwin(instance) do t1 = 1_pInt,constitutive_titanmod_totalNtwin(instance)
do t2 = 1_pInt,constitutive_titanmod_totalNtwin(instance) do t2 = 1_pInt,constitutive_titanmod_totalNtwin(instance)
constitutive_titanmod_TwinforestProjectionEdge(t1,t2,instance) = & constitutive_titanmod_TwinforestProjectionEdge(t1,t2,instance) = &
abs(math_mul3x3(lattice_tn(:,constitutive_titanmod_twinSystemLattice(t1,instance),structID), & abs(math_mul3x3(lattice_tn(:,constitutive_titanmod_twinSystemLattice(t1,instance),phase), &
lattice_tt(:,constitutive_titanmod_twinSystemLattice(t2,instance),structID))) lattice_tt(:,constitutive_titanmod_twinSystemLattice(t2,instance),phase)))
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculation of forest projections for screw dislocations in twin system ! calculation of forest projections for screw dislocations in twin system
constitutive_titanmod_TwinforestProjectionScrew(t1,t2,instance) = & constitutive_titanmod_TwinforestProjectionScrew(t1,t2,instance) = &
abs(math_mul3x3(lattice_tn(:,constitutive_titanmod_twinSystemLattice(t1,instance),structID), & abs(math_mul3x3(lattice_tn(:,constitutive_titanmod_twinSystemLattice(t1,instance),phase), &
lattice_td(:,constitutive_titanmod_twinSystemLattice(t2,instance),structID))) lattice_td(:,constitutive_titanmod_twinSystemLattice(t2,instance),phase)))
enddo; enddo enddo; enddo
enddo instancesLoop endif
enddo initializeInstances
end subroutine constitutive_titanmod_init end subroutine constitutive_titanmod_init
@ -1050,13 +977,15 @@ end subroutine constitutive_titanmod_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief sets the initial microstructural state for a given instance of this plasticity !> @brief sets the initial microstructural state for a given instance of this plasticity
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function constitutive_titanmod_stateInit(instance) pure function constitutive_titanmod_stateInit(instance,phase)
use lattice, only: & use lattice, only: &
lattice_maxNslipFamily, & lattice_maxNslipFamily, &
lattice_maxNtwinFamily lattice_maxNtwinFamily, &
lattice_mu
implicit none implicit none
integer(pInt), intent(in) :: instance !< number specifying the instance of the plasticity integer(pInt), intent(in) :: instance !< number specifying the instance of the plasticity
integer(pInt), intent(in) :: phase !< number specifying the phase of the plasticity
real(pReal), dimension(constitutive_titanmod_sizeState(instance)) :: & real(pReal), dimension(constitutive_titanmod_sizeState(instance)) :: &
constitutive_titanmod_stateInit constitutive_titanmod_stateInit
@ -1114,11 +1043,11 @@ pure function constitutive_titanmod_stateInit(instance)
sqrt(dot_product((rho_edge0),constitutive_titanmod_forestProjectionEdge(1:ns,s,instance))+ & sqrt(dot_product((rho_edge0),constitutive_titanmod_forestProjectionEdge(1:ns,s,instance))+ &
dot_product((rho_screw0),constitutive_titanmod_forestProjectionScrew(1:ns,s,instance))) dot_product((rho_screw0),constitutive_titanmod_forestProjectionScrew(1:ns,s,instance)))
resistance_edge0(s) = & resistance_edge0(s) = &
constitutive_titanmod_Gmod(instance)*constitutive_titanmod_burgersPerSlipSys(s,instance)* & lattice_mu(phase)*constitutive_titanmod_burgersPerSlipSys(s,instance)* &
sqrt(dot_product((rho_edge0),constitutive_titanmod_interactionMatrix_ee(1:ns,s,instance))+ & sqrt(dot_product((rho_edge0),constitutive_titanmod_interactionMatrix_ee(1:ns,s,instance))+ &
dot_product((rho_screw0),constitutive_titanmod_interactionMatrix_es(1:ns,s,instance))) dot_product((rho_screw0),constitutive_titanmod_interactionMatrix_es(1:ns,s,instance)))
resistance_screw0(s) = & resistance_screw0(s) = &
constitutive_titanmod_Gmod(instance)*constitutive_titanmod_burgersPerSlipSys(s,instance)* & lattice_mu(phase)*constitutive_titanmod_burgersPerSlipSys(s,instance)* &
sqrt(dot_product((rho_edge0),constitutive_titanmod_interactionMatrix_es(1:ns,s,instance))+ & sqrt(dot_product((rho_edge0),constitutive_titanmod_interactionMatrix_es(1:ns,s,instance))+ &
dot_product((rho_screw0), constitutive_titanmod_interactionMatrix_ss(1:ns,s,instance))) dot_product((rho_screw0), constitutive_titanmod_interactionMatrix_ss(1:ns,s,instance)))
end forall end forall
@ -1169,6 +1098,8 @@ pure function constitutive_titanmod_homogenizedC(state,ipc,ip,el)
homogenization_maxNgrains, & homogenization_maxNgrains, &
material_phase, & material_phase, &
phase_plasticityInstance phase_plasticityInstance
use lattice, only: &
lattice_C66
implicit none implicit none
real(pReal), dimension(6,6) :: & real(pReal), dimension(6,6) :: &
@ -1182,6 +1113,7 @@ implicit none
real(pReal), dimension(constitutive_titanmod_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & real(pReal), dimension(constitutive_titanmod_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: &
volumefraction_PerTwinSys volumefraction_PerTwinSys
integer(pInt) :: & integer(pInt) :: &
phase, &
instance, & instance, &
ns, nt, & ns, nt, &
i i
@ -1190,7 +1122,8 @@ real(pReal), dimension(constitutive_titanmod_totalNtwin(phase_plasticityInstance
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! shortened notation ! shortened notation
instance = phase_plasticityInstance(material_phase(ipc,ip,el)) phase = material_phase(ipc,ip,el)
instance = phase_plasticityInstance(phase)
ns = constitutive_titanmod_totalNslip(instance) ns = constitutive_titanmod_totalNslip(instance)
nt = constitutive_titanmod_totalNtwin(instance) nt = constitutive_titanmod_totalNtwin(instance)
@ -1204,11 +1137,11 @@ real(pReal), dimension(constitutive_titanmod_totalNtwin(phase_plasticityInstance
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! homogenized elasticity matrix ! homogenized elasticity matrix
constitutive_titanmod_homogenizedC = (1.0_pReal-sumf)*constitutive_titanmod_Cslip_66(1:6,1:6,instance) constitutive_titanmod_homogenizedC = (1.0_pReal-sumf)*lattice_C66(1:6,1:6,phase)
do i=1_pInt,nt do i=1_pInt,nt
constitutive_titanmod_homogenizedC = constitutive_titanmod_homogenizedC & constitutive_titanmod_homogenizedC = constitutive_titanmod_homogenizedC &
+ volumefraction_PerTwinSys(i)*& + volumefraction_PerTwinSys(i)*&
constitutive_titanmod_Ctwin_66(1:6,1:6,i,instance) constitutive_titanmod_Ctwin66(1:6,1:6,i,instance)
enddo enddo
end function constitutive_titanmod_homogenizedC end function constitutive_titanmod_homogenizedC
@ -1227,6 +1160,8 @@ subroutine constitutive_titanmod_microstructure(temperature,state,ipc,ip,el)
homogenization_maxNgrains, & homogenization_maxNgrains, &
material_phase,& material_phase,&
phase_plasticityInstance phase_plasticityInstance
use lattice, only: &
lattice_mu
implicit none implicit none
integer(pInt), intent(in) :: & integer(pInt), intent(in) :: &
@ -1239,9 +1174,9 @@ subroutine constitutive_titanmod_microstructure(temperature,state,ipc,ip,el)
state !< microstructure state state !< microstructure state
integer(pInt) :: & integer(pInt) :: &
instance, structID, & instance, &
ns, nt, s, t, & ns, nt, s, t, &
i i, phase
real(pReal) :: & real(pReal) :: &
sumf, & sumf, &
sfe ! stacking fault energy sfe ! stacking fault energy
@ -1250,8 +1185,8 @@ subroutine constitutive_titanmod_microstructure(temperature,state,ipc,ip,el)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!Shortened notation !Shortened notation
instance = phase_plasticityInstance(material_phase(ipc,ip,el)) phase = material_phase(ipc,ip,el)
structID = constitutive_titanmod_structure(instance) instance = phase_plasticityInstance(phase)
ns = constitutive_titanmod_totalNslip(instance) ns = constitutive_titanmod_totalNslip(instance)
nt = constitutive_titanmod_totalNtwin(instance) nt = constitutive_titanmod_totalNtwin(instance)
@ -1288,7 +1223,7 @@ subroutine constitutive_titanmod_microstructure(temperature,state,ipc,ip,el)
! threshold stress or slip resistance for edge dislocation motion ! threshold stress or slip resistance for edge dislocation motion
forall (s = 1_pInt:ns) & forall (s = 1_pInt:ns) &
state(ipc,ip,el)%p(5_pInt*ns+nt+s) = & state(ipc,ip,el)%p(5_pInt*ns+nt+s) = &
constitutive_titanmod_Gmod(instance)*constitutive_titanmod_burgersPerSlipSys(s,instance)*& lattice_mu(phase)*constitutive_titanmod_burgersPerSlipSys(s,instance)*&
sqrt(dot_product((state(ipc,ip,el)%p(1:ns)),& sqrt(dot_product((state(ipc,ip,el)%p(1:ns)),&
constitutive_titanmod_interactionMatrix_ee(1:ns,s,instance))+ & constitutive_titanmod_interactionMatrix_ee(1:ns,s,instance))+ &
dot_product((state(ipc,ip,el)%p(ns+1_pInt:2_pInt*ns)),& dot_product((state(ipc,ip,el)%p(ns+1_pInt:2_pInt*ns)),&
@ -1297,7 +1232,7 @@ subroutine constitutive_titanmod_microstructure(temperature,state,ipc,ip,el)
! threshold stress or slip resistance for screw dislocation motion ! threshold stress or slip resistance for screw dislocation motion
forall (s = 1_pInt:ns) & forall (s = 1_pInt:ns) &
state(ipc,ip,el)%p(6_pInt*ns+nt+s) = & state(ipc,ip,el)%p(6_pInt*ns+nt+s) = &
constitutive_titanmod_Gmod(instance)*constitutive_titanmod_burgersPerSlipSys(s,instance)*& lattice_mu(phase)*constitutive_titanmod_burgersPerSlipSys(s,instance)*&
sqrt(dot_product((state(ipc,ip,el)%p(1:ns)),& sqrt(dot_product((state(ipc,ip,el)%p(1:ns)),&
constitutive_titanmod_interactionMatrix_es(1:ns,s,instance))+ & constitutive_titanmod_interactionMatrix_es(1:ns,s,instance))+ &
dot_product((state(ipc,ip,el)%p(ns+1_pInt:2_pInt*ns)),& dot_product((state(ipc,ip,el)%p(ns+1_pInt:2_pInt*ns)),&
@ -1306,7 +1241,7 @@ subroutine constitutive_titanmod_microstructure(temperature,state,ipc,ip,el)
! threshold stress or slip resistance for dislocation motion in twin ! threshold stress or slip resistance for dislocation motion in twin
forall (t = 1_pInt:nt) & forall (t = 1_pInt:nt) &
state(ipc,ip,el)%p(7_pInt*ns+nt+t) = & state(ipc,ip,el)%p(7_pInt*ns+nt+t) = &
constitutive_titanmod_Gmod(instance)*constitutive_titanmod_burgersPerTwinSys(t,instance)*& lattice_mu(phase)*constitutive_titanmod_burgersPerTwinSys(t,instance)*&
(dot_product((abs(state(ipc,ip,el)%p(2_pInt*ns+1_pInt:2_pInt*ns+nt))),& (dot_product((abs(state(ipc,ip,el)%p(2_pInt*ns+1_pInt:2_pInt*ns+nt))),&
constitutive_titanmod_interactionMatrixTwinTwin(1:nt,t,instance))) constitutive_titanmod_interactionMatrixTwinTwin(1:nt,t,instance)))
@ -1331,7 +1266,9 @@ subroutine constitutive_titanmod_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,&
lattice_maxNslipFamily, & lattice_maxNslipFamily, &
lattice_maxNtwinFamily, & lattice_maxNtwinFamily, &
lattice_NslipSystem, & lattice_NslipSystem, &
lattice_NtwinSystem lattice_NtwinSystem, &
lattice_structure, &
LATTICE_hex_ID
use mesh, only: & use mesh, only: &
mesh_NcpElems, & mesh_NcpElems, &
mesh_maxNips mesh_maxNips
@ -1357,7 +1294,7 @@ subroutine constitutive_titanmod_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,&
type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(inout) :: & type(p_vec), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), intent(inout) :: &
state !< microstructure state state !< microstructure state
integer(pInt) :: & integer(pInt) :: &
index_myFamily, instance,structID, & index_myFamily, instance,phase, &
ns,nt, & ns,nt, &
f,i,j,k,l,m,n f,i,j,k,l,m,n
real(pReal) :: sumf, & real(pReal) :: sumf, &
@ -1375,8 +1312,8 @@ subroutine constitutive_titanmod_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,&
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! shortened notation ! shortened notation
instance = phase_plasticityInstance(material_phase(ipc,ip,el)) phase = material_phase(ipc,ip,el)
structID = constitutive_titanmod_structure(instance) instance = phase_plasticityInstance(phase)
ns = constitutive_titanmod_totalNslip(instance) ns = constitutive_titanmod_totalNslip(instance)
nt = constitutive_titanmod_totalNtwin(instance) nt = constitutive_titanmod_totalNtwin(instance)
@ -1400,14 +1337,14 @@ subroutine constitutive_titanmod_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,&
dgdot_dtauslip = 0.0_pReal dgdot_dtauslip = 0.0_pReal
j = 0_pInt j = 0_pInt
slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily
index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_titanmod_Nslip(f,instance) ! process each (active) slip system in family do i = 1_pInt,constitutive_titanmod_Nslip(f,instance) ! process each (active) slip system in family
j = j+1_pInt j = j+1_pInt
!* Calculation of Lp !* Calculation of Lp
!* Resolved shear stress on slip system !* Resolved shear stress on slip system
tau_slip(j) = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,structID)) tau_slip(j) = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,phase))
if(structID==3_pInt) then ! only for prismatic and pyr <a> systems in hex if(lattice_structure(phase)==LATTICE_hex_ID) then ! only for prismatic and pyr <a> systems in hex
screwvelocity_prefactor=constitutive_titanmod_debyefrequency(instance)* & screwvelocity_prefactor=constitutive_titanmod_debyefrequency(instance)* &
state(ipc,ip,el)%p(4_pInt*ns+nt+j)*(constitutive_titanmod_burgersPerSlipSys(j,instance)/ & state(ipc,ip,el)%p(4_pInt*ns+nt+j)*(constitutive_titanmod_burgersPerSlipSys(j,instance)/ &
constitutive_titanmod_kinkcriticallength_PerSlipSys(j,instance))**2 constitutive_titanmod_kinkcriticallength_PerSlipSys(j,instance))**2
@ -1529,14 +1466,14 @@ subroutine constitutive_titanmod_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,&
!************************************************* !*************************************************
!sumf=0.0_pReal !sumf=0.0_pReal
!* Plastic velocity gradient for dislocation glide !* Plastic velocity gradient for dislocation glide
Lp = Lp + (1.0_pReal - sumf)*gdot_slip(j)*lattice_Sslip(1:3,1:3,1,index_myFamily+i,structID) Lp = Lp + (1.0_pReal - sumf)*gdot_slip(j)*lattice_Sslip(1:3,1:3,1,index_myFamily+i,phase)
!* Calculation of the tangent of Lp !* Calculation of the tangent of Lp
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = & dLp_dTstar3333(k,l,m,n) = &
dLp_dTstar3333(k,l,m,n) + dgdot_dtauslip(j)*& dLp_dTstar3333(k,l,m,n) + dgdot_dtauslip(j)*&
lattice_Sslip(k,l,1,index_myFamily+i,structID)*& lattice_Sslip(k,l,1,index_myFamily+i,phase)*&
lattice_Sslip(m,n,1,index_myFamily+i,structID) lattice_Sslip(m,n,1,index_myFamily+i,phase)
enddo enddo
enddo slipFamiliesLoop enddo slipFamiliesLoop
@ -1545,13 +1482,13 @@ subroutine constitutive_titanmod_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,&
dgdot_dtautwin = 0.0_pReal dgdot_dtautwin = 0.0_pReal
j = 0_pInt j = 0_pInt
twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily
index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_titanmod_Ntwin(f,instance) ! process each (active) slip system in family do i = 1_pInt,constitutive_titanmod_Ntwin(f,instance) ! process each (active) slip system in family
j = j+1_pInt j = j+1_pInt
!* Calculation of Lp !* Calculation of Lp
!* Resolved shear stress on twin system !* Resolved shear stress on twin system
tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,structID)) tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,phase))
!************************************************************************************** !**************************************************************************************
!* Stress ratios !* Stress ratios
@ -1560,7 +1497,7 @@ subroutine constitutive_titanmod_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,&
!* Shear rates and their derivatives due to twin !* Shear rates and their derivatives due to twin
! if ( tau_twin(j) > 0.0_pReal ) !then ! if ( tau_twin(j) > 0.0_pReal ) !then
! gdot_twin(j) = 0.0_pReal!& ! gdot_twin(j) = 0.0_pReal!&
! (constitutive_titanmod_MaxTwinFraction(instance)-sumf)*lattice_shearTwin(index_myFamily+i,structID)*& ! (constitutive_titanmod_MaxTwinFraction(instance)-sumf)*lattice_shearTwin(index_myFamily+i,phase)*&
! state(ipc,ip,el)%p(6*ns+4*nt+j)*constitutive_titanmod_Ndot0PerTwinSys(f,instance)*exp(-StressRatio_r) ! state(ipc,ip,el)%p(6*ns+4*nt+j)*constitutive_titanmod_Ndot0PerTwinSys(f,instance)*exp(-StressRatio_r)
! dgdot_dtautwin(j) = ((gdot_twin(j)*constitutive_titanmod_r(instance))/tau_twin(j))*StressRatio_r ! dgdot_dtautwin(j) = ((gdot_twin(j)*constitutive_titanmod_r(instance))/tau_twin(j))*StressRatio_r
! endif ! endif
@ -1609,15 +1546,15 @@ subroutine constitutive_titanmod_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,&
) !* sign(1.0_pReal,tau_slip(j)) ) !* sign(1.0_pReal,tau_slip(j))
!* Plastic velocity gradient for mechanical twinning !* Plastic velocity gradient for mechanical twinning
! Lp = Lp + sumf*gdot_twin(j)*lattice_Stwin(:,:,index_myFamily+i,structID) ! Lp = Lp + sumf*gdot_twin(j)*lattice_Stwin(:,:,index_myFamily+i,phase)
Lp = Lp + gdot_twin(j)*lattice_Stwin(:,:,index_myFamily+i,structID) Lp = Lp + gdot_twin(j)*lattice_Stwin(:,:,index_myFamily+i,phase)
!* Calculation of the tangent of Lp !* Calculation of the tangent of Lp
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dTstar3333(k,l,m,n) = & dLp_dTstar3333(k,l,m,n) = &
dLp_dTstar3333(k,l,m,n) + dgdot_dtautwin(j)*& dLp_dTstar3333(k,l,m,n) + dgdot_dtautwin(j)*&
lattice_Stwin(k,l,index_myFamily+i,structID)*& lattice_Stwin(k,l,index_myFamily+i,phase)*&
lattice_Stwin(m,n,index_myFamily+i,structID) lattice_Stwin(m,n,index_myFamily+i,phase)
enddo enddo
enddo twinFamiliesLoop enddo twinFamiliesLoop
@ -1661,7 +1598,7 @@ implicit none
constitutive_titanmod_dotState constitutive_titanmod_dotState
integer(pInt) :: & integer(pInt) :: &
index_myFamily, instance,structID, & index_myFamily, instance,phase, &
ns,nt,& ns,nt,&
f,i,j f,i,j
real(pReal) :: & real(pReal) :: &
@ -1679,8 +1616,8 @@ implicit none
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! shortened notation ! shortened notation
instance = phase_plasticityInstance(material_phase(ipc,ip,el)) phase = material_phase(ipc,ip,el)
structID = constitutive_titanmod_structure(instance) instance = phase_plasticityInstance(phase)
ns = constitutive_titanmod_totalNslip(instance) ns = constitutive_titanmod_totalNslip(instance)
nt = constitutive_titanmod_totalNtwin(instance) nt = constitutive_titanmod_totalNtwin(instance)
@ -1696,7 +1633,7 @@ implicit none
j = 0_pInt j = 0_pInt
slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily
index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_titanmod_Nslip(f,instance) ! process each (active) slip system in family do i = 1_pInt,constitutive_titanmod_Nslip(f,instance) ! process each (active) slip system in family
j = j+1_pInt j = j+1_pInt
@ -1722,12 +1659,12 @@ implicit none
!* Twin fraction evolution !* Twin fraction evolution
j = 0_pInt j = 0_pInt
twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily
index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,structID)) ! at which index starts my family index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) ! at which index starts my family
do i = 1_pInt,constitutive_titanmod_Ntwin(f,instance) ! process each (active) twin system in family do i = 1_pInt,constitutive_titanmod_Ntwin(f,instance) ! process each (active) twin system in family
j = j+1_pInt j = j+1_pInt
!* Resolved shear stress on twin system !* Resolved shear stress on twin system
tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,structID)) tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,phase))
!* Stress ratio for edge !* Stress ratio for edge
twinStressRatio_p = ((abs(tau_twin(j)))/ & twinStressRatio_p = ((abs(tau_twin(j)))/ &
@ -1781,7 +1718,7 @@ pure function constitutive_titanmod_postResults(state,ipc,ip,el)
constitutive_titanmod_postResults constitutive_titanmod_postResults
integer(pInt) :: & integer(pInt) :: &
instance, structID,& instance, phase,&
ns,nt,& ns,nt,&
o,i,c o,i,c
real(pReal) :: sumf real(pReal) :: sumf
@ -1791,8 +1728,8 @@ pure function constitutive_titanmod_postResults(state,ipc,ip,el)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! shortened notation ! shortened notation
instance = phase_plasticityInstance(material_phase(ipc,ip,el)) phase = material_phase(ipc,ip,el)
structID = constitutive_titanmod_structure(instance) instance = phase_plasticityInstance(phase)
ns = constitutive_titanmod_totalNslip(instance) ns = constitutive_titanmod_totalNslip(instance)
nt = constitutive_titanmod_totalNtwin(instance) nt = constitutive_titanmod_totalNtwin(instance)

56
code/crystallite.f90
View File

@ -40,8 +40,6 @@ module crystallite
crystallite_sizePostResults !< description not available crystallite_sizePostResults !< description not available
integer(pInt), dimension(:,:), allocatable, private :: & integer(pInt), dimension(:,:), allocatable, private :: &
crystallite_sizePostResult !< description not available crystallite_sizePostResult !< description not available
integer(pInt), dimension(:,:,:), allocatable, private :: &
crystallite_symmetryID !< crystallographic symmetry 1=cubic 2=hexagonal, needed in all orientation calcs
real(pReal), dimension(:,:), allocatable, public :: & real(pReal), dimension(:,:), allocatable, public :: &
crystallite_temperature !< temperature (same on all components on one IP) crystallite_temperature !< temperature (same on all components on one IP)
@ -189,16 +187,9 @@ subroutine crystallite_init(temperature)
IO_EOF IO_EOF
use material use material
use lattice, only: & use lattice, only: &
lattice_symmetryType, & lattice_structure
lattice_structureID
use constitutive, only: & use constitutive, only: &
constitutive_microstructure constitutive_microstructure
use constitutive_dislotwin, only: &
constitutive_dislotwin_structureID
use constitutive_titanmod, only: &
constitutive_titanmod_structureID
use constitutive_nonlocal, only: &
constitutive_nonlocal_structureID
implicit none implicit none
real(pReal), intent(in) :: temperature real(pReal), intent(in) :: temperature
@ -220,9 +211,8 @@ subroutine crystallite_init(temperature)
j, & j, &
p, & p, &
output = 0_pInt, & output = 0_pInt, &
mySize, & mySize
myPhase, &
myMat
character(len=65536) :: & character(len=65536) :: &
tag = '', & tag = '', &
line= '' line= ''
@ -272,7 +262,6 @@ subroutine crystallite_init(temperature)
allocate(crystallite_orientation0(4,gMax,iMax,eMax), source=0.0_pReal) allocate(crystallite_orientation0(4,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_rotation(4,gMax,iMax,eMax), source=0.0_pReal) allocate(crystallite_rotation(4,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_disorientation(4,nMax,gMax,iMax,eMax), source=0.0_pReal) allocate(crystallite_disorientation(4,nMax,gMax,iMax,eMax), source=0.0_pReal)
allocate(crystallite_symmetryID(gMax,iMax,eMax), source=0_pInt)
allocate(crystallite_localPlasticity(gMax,iMax,eMax), source=.true.) allocate(crystallite_localPlasticity(gMax,iMax,eMax), source=.true.)
allocate(crystallite_requested(gMax,iMax,eMax), source=.false.) allocate(crystallite_requested(gMax,iMax,eMax), source=.false.)
allocate(crystallite_todo(gMax,iMax,eMax), source=.false.) allocate(crystallite_todo(gMax,iMax,eMax), source=.false.)
@ -434,33 +423,6 @@ subroutine crystallite_init(temperature)
crystallite_partionedF0 = crystallite_F0 crystallite_partionedF0 = crystallite_F0
crystallite_partionedF = crystallite_F0 crystallite_partionedF = crystallite_F0
!--------------------------------------------------------------------------------------------------
! Initialize crystallite_symmetryID
do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e))
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1_pInt,myNgrains
myPhase = material_phase(g,i,e)
myMat = phase_plasticityInstance(myPhase)
select case (phase_plasticity(myPhase))
case (PLASTICITY_PHENOPOWERLAW_ID)
crystallite_symmetryID(g,i,e) = lattice_symmetryType(lattice_structureID(myPhase))
case (PLASTICITY_TITANMOD_ID)
crystallite_symmetryID(g,i,e) = &
lattice_symmetryType(constitutive_titanmod_structureID(myMat))
case (PLASTICITY_DISLOTWIN_ID)
crystallite_symmetryID(g,i,e) = &
lattice_symmetryType(constitutive_dislotwin_structureID(myMat))
case (PLASTICITY_NONLOCAL_ID)
crystallite_symmetryID(g,i,e) = &
lattice_symmetryType(constitutive_nonlocal_structureID(myMat))
case default
crystallite_symmetryID(g,i,e) = 0_pInt !< @ToDo: does this happen for j2 material?
end select
enddo
enddo
enddo
call crystallite_orientations() call crystallite_orientations()
crystallite_orientation0 = crystallite_orientation ! store initial orientations for calculation of grain rotations crystallite_orientation0 = crystallite_orientation ! store initial orientations for calculation of grain rotations
@ -496,7 +458,6 @@ subroutine crystallite_init(temperature)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_partionedFp0: ', shape(crystallite_partionedFp0) write(6,'(a35,1x,7(i8,1x))') 'crystallite_partionedFp0: ', shape(crystallite_partionedFp0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_partionedLp0: ', shape(crystallite_partionedLp0) write(6,'(a35,1x,7(i8,1x))') 'crystallite_partionedLp0: ', shape(crystallite_partionedLp0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_subF: ', shape(crystallite_subF) write(6,'(a35,1x,7(i8,1x))') 'crystallite_subF: ', shape(crystallite_subF)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_symmetryID: ', shape(crystallite_symmetryID)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_subF0: ', shape(crystallite_subF0) write(6,'(a35,1x,7(i8,1x))') 'crystallite_subF0: ', shape(crystallite_subF0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_subFe0: ', shape(crystallite_subFe0) write(6,'(a35,1x,7(i8,1x))') 'crystallite_subFe0: ', shape(crystallite_subFe0)
write(6,'(a35,1x,7(i8,1x))') 'crystallite_subFp0: ', shape(crystallite_subFp0) write(6,'(a35,1x,7(i8,1x))') 'crystallite_subFp0: ', shape(crystallite_subFp0)
@ -3060,7 +3021,6 @@ logical function crystallite_integrateStress(&
logical error ! flag indicating an error logical error ! flag indicating an error
integer(pInt) NiterationStress, & ! number of stress integrations integer(pInt) NiterationStress, & ! number of stress integrations
ierr, & ! error indicator for LAPACK ierr, & ! error indicator for LAPACK
n, &
o, & o, &
p, & p, &
jacoCounter ! counter to check for Jacobian update jacoCounter ! counter to check for Jacobian update
@ -3342,7 +3302,8 @@ subroutine crystallite_orientations
FE_geomtype, & FE_geomtype, &
FE_celltype FE_celltype
use lattice, only: & use lattice, only: &
lattice_qDisorientation lattice_qDisorientation, &
lattice_structure
use constitutive_nonlocal, only: & use constitutive_nonlocal, only: &
constitutive_nonlocal_structure, & constitutive_nonlocal_structure, &
constitutive_nonlocal_updateCompatibility constitutive_nonlocal_updateCompatibility
@ -3387,8 +3348,7 @@ subroutine crystallite_orientations
orientation = math_RtoQ(transpose(R)) orientation = math_RtoQ(transpose(R))
endif endif
crystallite_rotation(1:4,g,i,e) = lattice_qDisorientation(crystallite_orientation0(1:4,g,i,e), & ! active rotation from ori0 crystallite_rotation(1:4,g,i,e) = lattice_qDisorientation(crystallite_orientation0(1:4,g,i,e), & ! active rotation from ori0
orientation, & ! to current orientation orientation) ! to current orientation (with no symmetry)
0_pInt ) ! we don't want symmetry here
crystallite_orientation(1:4,g,i,e) = orientation crystallite_orientation(1:4,g,i,e) = orientation
enddo enddo
enddo enddo
@ -3406,8 +3366,6 @@ subroutine crystallite_orientations
myPhase = material_phase(1,i,e) ! get my phase myPhase = material_phase(1,i,e) ! get my phase
if (.not. phase_localPlasticity(myPhase)) then ! if nonlocal model if (.not. phase_localPlasticity(myPhase)) then ! if nonlocal model
myInstance = phase_plasticityInstance(myPhase) myInstance = phase_plasticityInstance(myPhase)
myStructure = constitutive_nonlocal_structure(myInstance) ! get my crystal structure
! --- calculate disorientation between me and my neighbor --- ! --- calculate disorientation between me and my neighbor ---
@ -3423,7 +3381,7 @@ subroutine crystallite_orientations
crystallite_disorientation(:,n,1,i,e) = & crystallite_disorientation(:,n,1,i,e) = &
lattice_qDisorientation( crystallite_orientation(1:4,1,i,e), & lattice_qDisorientation( crystallite_orientation(1:4,1,i,e), &
crystallite_orientation(1:4,1,neighboring_i,neighboring_e), & crystallite_orientation(1:4,1,neighboring_i,neighboring_e), &
crystallite_symmetryID(1,i,e)) ! calculate disorientation lattice_structure(myPhase)) ! calculate disorientation for given symmetry
else ! for neighbor with different phase 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 endif

605
code/lattice.f90
View File

@ -22,6 +22,7 @@
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH !> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH !> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief defines lattice structure definitions, slip and twin system definitions, Schimd matrix !> @brief defines lattice structure definitions, slip and twin system definitions, Schimd matrix
!> calculation and non-Schmid behavior !> calculation and non-Schmid behavior
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -76,23 +77,13 @@ module lattice
real(pReal), allocatable, dimension(:,:), protected, public :: & real(pReal), allocatable, dimension(:,:), protected, public :: &
lattice_shearTwin !< characteristic twin shear lattice_shearTwin !< characteristic twin shear
integer(pInt), private :: &
lattice_Nhexagonal, & !< total # of hexagonal lattice structure (from tag CoverA_ratio)
lattice_Nstructure !< total # of lattice structures (1: fcc,2: bcc,3+: hexagonal)
integer(pInt), dimension(:,:), pointer, private :: &
interactionSlipSlip, &
interactionSlipTwin, &
interactionTwinSlip, &
interactionTwinTwin
integer(pInt), allocatable, dimension(:), protected, public :: & integer(pInt), allocatable, dimension(:), protected, public :: &
lattice_NnonSchmid !< total # of non-Schmid contributions for each structure lattice_NnonSchmid !< total # of non-Schmid contributions for each structure
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! fcc (1) ! fcc
integer(pInt), dimension(lattice_maxNslipFamily), parameter, public :: & integer(pInt), dimension(lattice_maxNslipFamily), parameter, public :: &
lattice_fcc_NslipSystem = int([12, 0, 0, 0, 0, 0],pInt) !< total # of slip systems per family for fcc LATTICE_fcc_NslipSystem = int([12, 0, 0, 0, 0, 0],pInt) !< total # of slip systems per family for fcc
integer(pInt), dimension(lattice_maxNtwinFamily), parameter, public :: & integer(pInt), dimension(lattice_maxNtwinFamily), parameter, public :: &
lattice_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< total # of twin systems per family for fcc lattice_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< total # of twin systems per family for fcc
@ -102,9 +93,6 @@ module lattice
lattice_fcc_Ntwin = 12_pInt, & ! sum(lattice_fcc_NtwinSystem) !< total # of twin systems for fcc lattice_fcc_Ntwin = 12_pInt, & ! sum(lattice_fcc_NtwinSystem) !< total # of twin systems for fcc
lattice_fcc_NnonSchmid = 0_pInt !< total # of non-Schmid contributions for fcc lattice_fcc_NnonSchmid = 0_pInt !< total # of non-Schmid contributions for fcc
integer(pInt), private :: &
lattice_fcc_Nstructure = 0_pInt
real(pReal), dimension(3+3,lattice_fcc_Nslip), parameter, private :: & real(pReal), dimension(3+3,lattice_fcc_Nslip), parameter, private :: &
lattice_fcc_systemSlip = reshape(real([& lattice_fcc_systemSlip = reshape(real([&
! Slip direction Plane normal ! Slip direction Plane normal
@ -142,7 +130,7 @@ module lattice
lattice_fcc_shearTwin = 0.5_pReal*sqrt(2.0_pReal) !< Twin system <112>{111} ??? Sorted according to Eisenlohr & Hantcherli lattice_fcc_shearTwin = 0.5_pReal*sqrt(2.0_pReal) !< Twin system <112>{111} ??? Sorted according to Eisenlohr & Hantcherli
integer(pInt), dimension(2_pInt,lattice_fcc_Ntwin), parameter, public :: & integer(pInt), dimension(2_pInt,lattice_fcc_Ntwin), parameter, public :: &
lattice_fcc_corellationTwinSlip = reshape(int( [& lattice_fcc_twinNucleationSlipPair = reshape(int( [&
2,3, & 2,3, &
1,3, & 1,3, &
1,2, & 1,2, &
@ -157,7 +145,7 @@ module lattice
10,11 & 10,11 &
],pInt),[2_pInt,lattice_fcc_Ntwin]) ],pInt),[2_pInt,lattice_fcc_Ntwin])
integer(pInt), dimension(lattice_fcc_Nslip,lattice_fcc_Nslip), target, public :: & integer(pInt), dimension(lattice_fcc_Nslip,lattice_fcc_Nslip), parameter, public :: &
lattice_fcc_interactionSlipSlip = reshape(int( [& lattice_fcc_interactionSlipSlip = reshape(int( [&
1,2,2,4,6,5,3,5,5,4,5,6, & ! ---> slip 1,2,2,4,6,5,3,5,5,4,5,6, & ! ---> slip
2,1,2,6,4,5,5,4,6,5,3,5, & ! | 2,1,2,6,4,5,5,4,6,5,3,5, & ! |
@ -178,7 +166,7 @@ module lattice
!< 4: Hirth locks !< 4: Hirth locks
!< 5: glissile junctions !< 5: glissile junctions
!< 6: Lomer locks !< 6: Lomer locks
integer(pInt), dimension(lattice_fcc_Nslip,lattice_fcc_Ntwin), target, public :: & integer(pInt), dimension(lattice_fcc_Nslip,lattice_fcc_Ntwin), parameter, public :: &
lattice_fcc_interactionSlipTwin = reshape(int( [& lattice_fcc_interactionSlipTwin = reshape(int( [&
1,1,1,3,3,3,2,2,2,3,3,3, & ! ---> twin 1,1,1,3,3,3,2,2,2,3,3,3, & ! ---> twin
1,1,1,3,3,3,3,3,3,2,2,2, & ! | 1,1,1,3,3,3,3,3,3,2,2,2, & ! |
@ -196,10 +184,10 @@ module lattice
!< 1: coplanar interaction !< 1: coplanar interaction
!< 2: screw trace between slip system and twin habit plane (easy cross slip) !< 2: screw trace between slip system and twin habit plane (easy cross slip)
!< 3: other interaction !< 3: other interaction
integer(pInt), dimension(lattice_fcc_Ntwin,lattice_fcc_Nslip), target, public :: & integer(pInt), dimension(lattice_fcc_Ntwin,lattice_fcc_Nslip), parameter, public :: &
lattice_fcc_interactionTwinSlip = 0_pInt !< Twin--Slip interaction types for fcc lattice_fcc_interactionTwinSlip = 0_pInt !< Twin--Slip interaction types for fcc
integer(pInt), dimension(lattice_fcc_Ntwin,lattice_fcc_Ntwin), target, public :: & integer(pInt), dimension(lattice_fcc_Ntwin,lattice_fcc_Ntwin), parameter,public :: &
lattice_fcc_interactionTwinTwin = reshape(int( [& lattice_fcc_interactionTwinTwin = reshape(int( [&
1,1,1,2,2,2,2,2,2,2,2,2, & ! ---> twin 1,1,1,2,2,2,2,2,2,2,2,2, & ! ---> twin
1,1,1,2,2,2,2,2,2,2,2,2, & ! | 1,1,1,2,2,2,2,2,2,2,2,2, & ! |
@ -218,7 +206,7 @@ module lattice
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! bcc (2) ! bcc
integer(pInt), dimension(lattice_maxNslipFamily), parameter, public :: & integer(pInt), dimension(lattice_maxNslipFamily), parameter, public :: &
lattice_bcc_NslipSystem = int([ 12, 12, 0, 0, 0, 0], pInt) !< total # of slip systems per family for bcc lattice_bcc_NslipSystem = int([ 12, 12, 0, 0, 0, 0], pInt) !< total # of slip systems per family for bcc
@ -230,9 +218,6 @@ module lattice
lattice_bcc_Ntwin = 12_pInt, & ! sum(lattice_bcc_NtwinSystem) !< total # of twin systems for bcc lattice_bcc_Ntwin = 12_pInt, & ! sum(lattice_bcc_NtwinSystem) !< total # of twin systems for bcc
lattice_bcc_NnonSchmid = 6_pInt !< # of non-Schmid contributions for bcc. 6 known non schmid contributions for BCC (A. Koester, A. Ma, A. Hartmaier 2012) lattice_bcc_NnonSchmid = 6_pInt !< # of non-Schmid contributions for bcc. 6 known non schmid contributions for BCC (A. Koester, A. Ma, A. Hartmaier 2012)
integer(pInt), private :: &
lattice_bcc_Nstructure = 0_pInt
real(pReal), dimension(3+3,lattice_bcc_Nslip), parameter, private :: & real(pReal), dimension(3+3,lattice_bcc_Nslip), parameter, private :: &
lattice_bcc_systemSlip = reshape(real([& lattice_bcc_systemSlip = reshape(real([&
! Slip direction Plane normal ! Slip direction Plane normal
@ -309,7 +294,7 @@ module lattice
real(pReal), dimension(lattice_bcc_Ntwin), parameter, private :: & real(pReal), dimension(lattice_bcc_Ntwin), parameter, private :: &
lattice_bcc_shearTwin = 0.5_pReal*sqrt(2.0_pReal) lattice_bcc_shearTwin = 0.5_pReal*sqrt(2.0_pReal)
integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Nslip), target, public :: & integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Nslip), parameter, public :: &
lattice_bcc_interactionSlipSlip = reshape(int( [& lattice_bcc_interactionSlipSlip = reshape(int( [&
1,2,6,6,5,4,4,3,4,3,5,4, 6,6,4,3,3,4,6,6,4,3,6,6, & ! ---> slip 1,2,6,6,5,4,4,3,4,3,5,4, 6,6,4,3,3,4,6,6,4,3,6,6, & ! ---> slip
2,1,6,6,4,3,5,4,5,4,4,3, 6,6,3,4,4,3,6,6,3,4,6,6, & ! | 2,1,6,6,4,3,5,4,5,4,4,3, 6,6,3,4,4,3,6,6,3,4,6,6, & ! |
@ -343,7 +328,7 @@ module lattice
!< 4: mixed-asymmetrical junction !< 4: mixed-asymmetrical junction
!< 5: mixed-symmetrical junction !< 5: mixed-symmetrical junction
!< 6: edge junction !< 6: edge junction
integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Ntwin), target, public :: & integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Ntwin), parameter, public :: &
lattice_bcc_interactionSlipTwin = reshape(int( [& lattice_bcc_interactionSlipTwin = reshape(int( [&
3,3,3,2,2,3,3,3,3,2,3,3, & ! ---> twin 3,3,3,2,2,3,3,3,3,2,3,3, & ! ---> twin
3,3,2,3,3,2,3,3,2,3,3,3, & ! | 3,3,2,3,3,2,3,3,2,3,3,3, & ! |
@ -374,10 +359,10 @@ module lattice
!< 1: coplanar interaction !< 1: coplanar interaction
!< 2: screw trace between slip system and twin habit plane (easy cross slip) !< 2: screw trace between slip system and twin habit plane (easy cross slip)
!< 3: other interaction !< 3: other interaction
integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Nslip), target, public :: & integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Nslip), parameter, public :: &
lattice_bcc_interactionTwinSlip = 0_pInt !< Twin--slip interaction types for bcc @todo not implemented yet lattice_bcc_interactionTwinSlip = 0_pInt !< Twin--slip interaction types for bcc @todo not implemented yet
integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Ntwin), target, public :: & integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Ntwin), parameter, public :: &
lattice_bcc_interactionTwinTwin = reshape(int( [& lattice_bcc_interactionTwinTwin = reshape(int( [&
1,3,3,3,3,3,3,2,3,3,2,3, & ! ---> twin 1,3,3,3,3,3,3,2,3,3,2,3, & ! ---> twin
3,1,3,3,3,3,2,3,3,3,3,2, & ! | 3,1,3,3,3,3,2,3,3,3,3,2, & ! |
@ -398,7 +383,7 @@ module lattice
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! hex (3+) ! hex
integer(pInt), dimension(lattice_maxNslipFamily), parameter, public :: & integer(pInt), dimension(lattice_maxNslipFamily), parameter, public :: &
lattice_hex_NslipSystem = int([ 3, 3, 3, 6, 12, 6],pInt) !< # of slip systems per family for hex lattice_hex_NslipSystem = int([ 3, 3, 3, 6, 12, 6],pInt) !< # of slip systems per family for hex
@ -410,9 +395,6 @@ module lattice
lattice_hex_Ntwin = 24_pInt, & ! sum(lattice_hex_NtwinSystem) !< total # of twin systems for hex lattice_hex_Ntwin = 24_pInt, & ! sum(lattice_hex_NtwinSystem) !< total # of twin systems for hex
lattice_hex_NnonSchmid = 0_pInt !< # of non-Schmid contributions for hex lattice_hex_NnonSchmid = 0_pInt !< # of non-Schmid contributions for hex
integer(pInt), private :: &
lattice_hex_Nstructure = 0_pInt
real(pReal), dimension(4+4,lattice_hex_Nslip), parameter, private :: & real(pReal), dimension(4+4,lattice_hex_Nslip), parameter, private :: &
lattice_hex_systemSlip = reshape(real([& lattice_hex_systemSlip = reshape(real([&
! Slip direction Plane normal ! Slip direction Plane normal
@ -517,7 +499,7 @@ module lattice
4 & 4 &
],pInt),[lattice_hex_Ntwin]) ],pInt),[lattice_hex_Ntwin])
integer(pInt), dimension(lattice_hex_Nslip,lattice_hex_Nslip), target, public :: & integer(pInt), dimension(lattice_hex_Nslip,lattice_hex_Nslip), parameter, public :: &
lattice_hex_interactionSlipSlip = reshape(int( [& lattice_hex_interactionSlipSlip = reshape(int( [&
1, 2, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! ---> slip 1, 2, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! ---> slip
2, 1, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! | 2, 1, 2, 3, 3, 3, 7, 7, 7, 13,13,13,13,13,13, 21,21,21,21,21,21,21,21,21,21,21,21, 31,31,31,31,31,31, & ! |
@ -560,7 +542,7 @@ module lattice
! !
],pInt),[lattice_hex_Nslip,lattice_hex_Nslip],order=[2,1]) !< Slip--slip interaction types for hex (32? in total) ],pInt),[lattice_hex_Nslip,lattice_hex_Nslip],order=[2,1]) !< Slip--slip interaction types for hex (32? in total)
integer(pInt), dimension(lattice_hex_Nslip,lattice_hex_Ntwin), target, public :: & integer(pInt), dimension(lattice_hex_Nslip,lattice_hex_Ntwin), parameter, public :: &
lattice_hex_interactionSlipTwin = reshape(int( [& lattice_hex_interactionSlipTwin = reshape(int( [&
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! --> twin 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! --> twin
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! | 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! |
@ -603,7 +585,7 @@ module lattice
! !
],pInt),[lattice_hex_Nslip,lattice_hex_Ntwin],order=[2,1]) !< Slip--twin interaction types for hex (isotropic, 24 in total) ],pInt),[lattice_hex_Nslip,lattice_hex_Ntwin],order=[2,1]) !< Slip--twin interaction types for hex (isotropic, 24 in total)
integer(pInt), dimension(lattice_hex_Ntwin,lattice_hex_Nslip), target, public :: & integer(pInt), dimension(lattice_hex_Ntwin,lattice_hex_Nslip), parameter, public :: &
lattice_hex_interactionTwinSlip = reshape(int( [& lattice_hex_interactionTwinSlip = reshape(int( [&
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! --> slip 1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! --> slip
1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! | 1, 1, 1, 5, 5, 5, 9, 9, 9, 13,13,13,13,13,13, 17,17,17,17,17,17,17,17,17,17,17,17, 21,21,21,21,21,21, & ! |
@ -634,7 +616,7 @@ module lattice
4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24 & 4, 4, 4, 8, 8, 8, 12,12,12, 16,16,16,16,16,16, 20,20,20,20,20,20,20,20,20,20,20,20, 24,24,24,24,24,24 &
],pInt),[lattice_hex_Ntwin,lattice_hex_Nslip],order=[2,1]) !< Twin--twin interaction types for hex (isotropic, 20 in total) ],pInt),[lattice_hex_Ntwin,lattice_hex_Nslip],order=[2,1]) !< Twin--twin interaction types for hex (isotropic, 20 in total)
integer(pInt), dimension(lattice_hex_Ntwin,lattice_hex_Ntwin), target, public :: & integer(pInt), dimension(lattice_hex_Ntwin,lattice_hex_Ntwin), parameter, public :: &
lattice_hex_interactionTwinTwin = reshape(int( [& lattice_hex_interactionTwinTwin = reshape(int( [&
1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! ---> twin 1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! ---> twin
2, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! | 2, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 7, 7, 7, 7, 7, 7, 13,13,13,13,13,13, & ! |
@ -664,6 +646,13 @@ module lattice
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,17,17,16,17, & 20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,17,17,16,17, &
20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,17,17,17,16 & 20,20,20,20,20,20, 19,19,19,19,19,19, 18,18,18,18,18,18, 17,17,17,17,17,16 &
],pInt),[lattice_hex_Ntwin,lattice_hex_Ntwin],order=[2,1]) !< Twin--slip interaction types for hex (isotropic, 16 in total) ],pInt),[lattice_hex_Ntwin,lattice_hex_Ntwin],order=[2,1]) !< Twin--slip interaction types for hex (isotropic, 16 in total)
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
lattice_C66
real(pReal), dimension(:,:,:,:,:), allocatable, public, protected :: &
lattice_C3333
real(pReal), dimension(:), allocatable, public, protected :: &
lattice_mu, &
lattice_nu
enum, bind(c) enum, bind(c)
enumerator :: LATTICE_undefined_ID, & enumerator :: LATTICE_undefined_ID, &
LATTICE_iso_ID, & LATTICE_iso_ID, &
@ -672,12 +661,8 @@ module lattice
LATTICE_hex_ID, & LATTICE_hex_ID, &
LATTICE_ort_ID LATTICE_ort_ID
end enum end enum
integer(pInt), dimension(:), allocatable, public, protected :: &
lattice_structure
integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public, protected :: & integer(kind(LATTICE_undefined_ID)), dimension(:), allocatable, public, protected :: &
lattice_structureID lattice_structure
real(pReal), dimension(:,:,:), allocatable, public, protected :: &
lattice_Cslip_66
integer(pInt), dimension(2), parameter, private :: & integer(pInt), dimension(2), parameter, private :: &
@ -789,26 +774,12 @@ real(pReal), dimension(4,36), parameter, private :: &
! [ 1.0,0.0,0.0,0.0 ], ! [ 1.0,0.0,0.0,0.0 ],
! ] ! ]
character(len=*), parameter, public :: &
LATTICE_iso_label = 'iso', &
LATTICE_fcc_label = 'fcc', &
LATTICE_bcc_label = 'bcc', &
LATTICE_hex_label = 'hex', &
LATTICE_ort_label = 'ort'
public :: & public :: &
lattice_init, & lattice_init, &
lattice_initializeStructure, &
lattice_symmetryType, &
lattice_symmetrizeC66, &
lattice_configNchunks, &
lattice_qDisorientation, & lattice_qDisorientation, &
LATTICE_undefined_ID, &
LATTICE_iso_ID, &
LATTICE_fcc_ID, & LATTICE_fcc_ID, &
LATTICE_bcc_ID, & LATTICE_bcc_ID, &
LATTICE_hex_ID, & LATTICE_hex_ID
LATTICE_ort_ID
contains contains
@ -844,23 +815,17 @@ subroutine lattice_init
debug_level, & debug_level, &
debug_lattice, & debug_lattice, &
debug_levelBasic debug_levelBasic
use math, only: &
math_Mandel3333to66, &
math_Voigt66to3333
implicit none implicit none
integer(pInt), parameter :: FILEUNIT = 200_pInt integer(pInt), parameter :: FILEUNIT = 200_pInt
integer(pInt) :: Nsections integer(pInt) :: Nphases
character(len=32) :: &
structure = ''
character(len=65536) :: & character(len=65536) :: &
tag = '', & tag = '', &
line = '' line = ''
integer(pInt), parameter :: MAXNCHUNKS = 2_pInt integer(pInt), parameter :: MAXNCHUNKS = 2_pInt
integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions
integer(pInt) :: section = 0_pInt,i integer(pInt) :: section = 0_pInt,i
real(pReal), dimension(:), allocatable :: CoverA real(pReal), dimension(:), allocatable :: CoverA !< c/a ratio for hex type lattice
write(6,'(/,a)') ' <<<+- lattice init -+>>>' write(6,'(/,a)') ' <<<+- lattice init -+>>>'
write(6,'(a)') ' $Id$' write(6,'(a)') ' $Id$'
@ -897,15 +862,40 @@ subroutine lattice_init
! read from material configuration file ! read from material configuration file
if (.not. IO_open_jobFile_stat(FILEUNIT,material_localFileExt)) & ! no local material configuration present... if (.not. IO_open_jobFile_stat(FILEUNIT,material_localFileExt)) & ! no local material configuration present...
call IO_open_file(FILEUNIT,material_configFile) ! ... open material.config file call IO_open_file(FILEUNIT,material_configFile) ! ... open material.config file
Nsections = IO_countSections(FILEUNIT,material_partPhase) Nphases = IO_countSections(FILEUNIT,material_partPhase)
lattice_Nstructure = 2_pInt + sum(IO_countTagInPart(FILEUNIT,material_partPhase,'covera_ratio',Nsections)) ! fcc + bcc + all hex
allocate(lattice_structure(Nsections), source=0_pInt) allocate(lattice_structure(Nphases),source = LATTICE_undefined_ID)
allocate(lattice_structureID(Nsections), source=LATTICE_undefined_ID) allocate(lattice_C66(6,6,Nphases), source=0.0_pReal)
allocate(lattice_Cslip_66(6,6,Nsections),source=0.0_pReal) allocate(lattice_C3333(3,3,3,3,Nphases), source=0.0_pReal)
allocate(CoverA(Nsections), source=0.0_pReal)
allocate(lattice_mu(Nphases), source=0.0_pReal)
allocate(lattice_nu(Nphases), source=0.0_pReal)
allocate(lattice_NnonSchmid(Nphases), source=0_pInt)
allocate(lattice_Sslip(3,3,1+2*lattice_maxNnonSchmid,lattice_maxNslip,Nphases),source=0.0_pReal)
allocate(lattice_Sslip_v(6,1+2*lattice_maxNnonSchmid,lattice_maxNslip,Nphases),source=0.0_pReal)
allocate(lattice_sd(3,lattice_maxNslip,Nphases),source=0.0_pReal)
allocate(lattice_st(3,lattice_maxNslip,Nphases),source=0.0_pReal)
allocate(lattice_sn(3,lattice_maxNslip,Nphases),source=0.0_pReal)
allocate(lattice_Qtwin(3,3,lattice_maxNtwin,Nphases),source=0.0_pReal)
allocate(lattice_Stwin(3,3,lattice_maxNtwin,Nphases),source=0.0_pReal)
allocate(lattice_Stwin_v(6,lattice_maxNtwin,Nphases),source=0.0_pReal)
allocate(lattice_td(3,lattice_maxNtwin,Nphases),source=0.0_pReal)
allocate(lattice_tt(3,lattice_maxNtwin,Nphases),source=0.0_pReal)
allocate(lattice_tn(3,lattice_maxNtwin,Nphases),source=0.0_pReal)
allocate(lattice_shearTwin(lattice_maxNtwin,Nphases),source=0.0_pReal)
allocate(lattice_NslipSystem(lattice_maxNslipFamily,Nphases),source=0_pInt)
allocate(lattice_NtwinSystem(lattice_maxNtwinFamily,Nphases),source=0_pInt)
allocate(lattice_interactionSlipSlip(lattice_maxNslip,lattice_maxNslip,Nphases),source=0_pInt)! other:me
allocate(lattice_interactionSlipTwin(lattice_maxNslip,lattice_maxNtwin,Nphases),source=0_pInt)! other:me
allocate(lattice_interactionTwinSlip(lattice_maxNtwin,lattice_maxNslip,Nphases),source=0_pInt)! other:me
allocate(lattice_interactionTwinTwin(lattice_maxNtwin,lattice_maxNtwin,Nphases),source=0_pInt)! other:me
allocate(CoverA(Nphases),source=0.0_pReal)
rewind(fileUnit) rewind(fileUnit)
line = '' ! to have it initialized line = '' ! to have it initialized
section = 0_pInt ! - " - section = 0_pInt ! - " -
@ -928,79 +918,51 @@ subroutine lattice_init
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag) select case(tag)
case ('lattice_structure') case ('lattice_structure')
structure = IO_lc(IO_stringValue(line,positions,2_pInt)) select case(trim(IO_lc(IO_stringValue(line,positions,2_pInt))))
select case(structure(1:3)) case('iso','isotropic')
case(LATTICE_iso_label) lattice_structure(section) = LATTICE_iso_ID
lattice_structureID(section) = LATTICE_iso_ID case('fcc')
case(LATTICE_fcc_label) lattice_structure(section) = LATTICE_fcc_ID
lattice_structureID(section) = LATTICE_fcc_ID case('bcc')
case(LATTICE_bcc_label) lattice_structure(section) = LATTICE_bcc_ID
lattice_structureID(section) = LATTICE_bcc_ID case('hex','hexagonal')
case(LATTICE_hex_label) lattice_structure(section) = LATTICE_hex_ID
lattice_structureID(section) = LATTICE_hex_ID case('ort','orthorombic')
case(LATTICE_ort_label) lattice_structure(section) = LATTICE_ort_ID
lattice_structureID(section) = LATTICE_ort_ID
case default case default
!there should be an error here !there will be an error here
end select end select
case ('c11') case ('c11')
lattice_C66(1,1,section) = IO_floatValue(line,positions,2_pInt)
lattice_Cslip_66(1,1,section) = IO_floatValue(line,positions,2_pInt)
case ('c12') case ('c12')
lattice_Cslip_66(1,2,section) = IO_floatValue(line,positions,2_pInt) lattice_C66(1,2,section) = IO_floatValue(line,positions,2_pInt)
case ('c13') case ('c13')
lattice_Cslip_66(1,3,section) = IO_floatValue(line,positions,2_pInt) lattice_C66(1,3,section) = IO_floatValue(line,positions,2_pInt)
case ('c22') case ('c22')
lattice_Cslip_66(2,2,section) = IO_floatValue(line,positions,2_pInt) lattice_C66(2,2,section) = IO_floatValue(line,positions,2_pInt)
case ('c23') case ('c23')
lattice_Cslip_66(2,3,section) = IO_floatValue(line,positions,2_pInt) lattice_C66(2,3,section) = IO_floatValue(line,positions,2_pInt)
case ('c33') case ('c33')
lattice_Cslip_66(3,3,section) = IO_floatValue(line,positions,2_pInt) lattice_C66(3,3,section) = IO_floatValue(line,positions,2_pInt)
case ('c44') case ('c44')
lattice_Cslip_66(4,4,section) = IO_floatValue(line,positions,2_pInt) lattice_C66(4,4,section) = IO_floatValue(line,positions,2_pInt)
case ('c55') case ('c55')
lattice_Cslip_66(5,5,section) = IO_floatValue(line,positions,2_pInt) lattice_C66(5,5,section) = IO_floatValue(line,positions,2_pInt)
case ('c66') case ('c66')
lattice_Cslip_66(6,6,section) = IO_floatValue(line,positions,2_pInt) lattice_C66(6,6,section) = IO_floatValue(line,positions,2_pInt)
case ('covera_ratio') case ('covera_ratio','c/a_ratio','c/a')
CoverA(section) = IO_floatValue(line,positions,2_pInt) CoverA(section) = IO_floatValue(line,positions,2_pInt)
if (CoverA(section) < 1.0_pReal .or. CoverA(section) > 2.0_pReal) call IO_error(206_pInt) ! checking physical significance of c/a
end select end select
endif endif
enddo enddo
if (iand(debug_level(debug_lattice),debug_levelBasic) /= 0_pInt) then if (iand(debug_level(debug_lattice),debug_levelBasic) /= 0_pInt) then
write(6,'(a16,1x,i5)') ' # phases:',Nsections write(6,'(a16,1x,i5)') ' # phases:',Nphases
write(6,'(a16,1x,i5,/)') ' # structures:',lattice_Nstructure
endif endif
allocate(lattice_NnonSchmid(lattice_Nstructure), source=0_pInt) do i = 1_pInt,Nphases
allocate(lattice_Sslip(3,3,1+2*lattice_maxNnonSchmid,lattice_maxNslip,lattice_Nstructure),source= 0.0_pReal) call lattice_initializeStructure(i, CoverA(i))
allocate(lattice_Sslip_v(6,1+2*lattice_maxNnonSchmid,lattice_maxNslip,lattice_Nstructure),source = 0.0_pReal)
allocate(lattice_sd(3,lattice_maxNslip,lattice_Nstructure),source=0.0_pReal)
allocate(lattice_st(3,lattice_maxNslip,lattice_Nstructure),source=0.0_pReal)
allocate(lattice_sn(3,lattice_maxNslip,lattice_Nstructure),source=0.0_pReal)
allocate(lattice_Qtwin(3,3,lattice_maxNtwin,lattice_Nstructure),source= 0.0_pReal)
allocate(lattice_Stwin(3,3,lattice_maxNtwin,lattice_Nstructure),source= 0.0_pReal)
allocate(lattice_Stwin_v(6,lattice_maxNtwin,lattice_Nstructure),source= 0.0_pReal)
allocate(lattice_td(3,lattice_maxNtwin,lattice_Nstructure),source= 0.0_pReal)
allocate(lattice_tt(3,lattice_maxNtwin,lattice_Nstructure),source= 0.0_pReal)
allocate(lattice_tn(3,lattice_maxNtwin,lattice_Nstructure),source= 0.0_pReal)
allocate(lattice_shearTwin(lattice_maxNtwin,lattice_Nstructure),source= 0.0_pReal)
allocate(lattice_NslipSystem(lattice_maxNslipFamily,lattice_Nstructure), source=0_pInt)
allocate(lattice_NtwinSystem(lattice_maxNtwinFamily,lattice_Nstructure), source=0_pInt)
allocate(lattice_interactionSlipSlip(lattice_maxNslip,lattice_maxNslip,lattice_Nstructure), source=0_pInt)! other:me
allocate(lattice_interactionSlipTwin(lattice_maxNslip,lattice_maxNtwin,lattice_Nstructure), source=0_pInt)! other:me
allocate(lattice_interactionTwinSlip(lattice_maxNtwin,lattice_maxNslip,lattice_Nstructure), source=0_pInt)! other:me
allocate(lattice_interactionTwinTwin(lattice_maxNtwin,lattice_maxNtwin,lattice_Nstructure), source=0_pInt)! other:me
do i = 1_pInt,Nsections
lattice_structure(i) = lattice_initializeStructure(lattice_structureID(i), CoverA(i)) ! get structure
lattice_Cslip_66(1:6,1:6,i) = lattice_symmetrizeC66(lattice_structureID(i),lattice_Cslip_66(1:6,1:6,i))
lattice_Cslip_66(1:6,1:6,i) = math_Mandel3333to66(math_Voigt66to3333(lattice_Cslip_66(1:6,1:6,i))) ! Literature data is Voigt, DAMASK uses Mandel
enddo enddo
deallocate(CoverA) deallocate(CoverA)
@ -1011,7 +973,9 @@ end subroutine lattice_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Calculation of Schmid matrices, etc. !> @brief Calculation of Schmid matrices, etc.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
integer(pInt) function lattice_initializeStructure(struct_ID,CoverA) subroutine lattice_initializeStructure(myPhase,CoverA)
use prec, only: &
tol_math_check
use math, only: & use math, only: &
math_vectorproduct, & math_vectorproduct, &
math_tensorproduct, & math_tensorproduct, &
@ -1020,72 +984,74 @@ integer(pInt) function lattice_initializeStructure(struct_ID,CoverA)
math_trace33, & math_trace33, &
math_symmetric33, & math_symmetric33, &
math_Mandel33to6, & math_Mandel33to6, &
math_Mandel3333to66, &
math_Voigt66to3333, &
math_axisAngleToR, & math_axisAngleToR, &
INRAD INRAD
use IO, only: & use IO, only: &
IO_error IO_error
implicit none implicit none
integer(kind(LATTICE_fcc_ID)), intent(in) :: struct_ID integer(pInt), intent(in) :: myPhase
real(pReal), intent(in) :: CoverA real(pReal), intent(in) :: CoverA
real(pReal), dimension(3) :: sdU = 0.0_pReal, &
snU = 0.0_pReal, &
np = 0.0_pReal, &
nn = 0.0_pReal
real(pReal), dimension(3,lattice_maxNslip) :: sd = 0.0_pReal, &
sn = 0.0_pReal
real(pReal), dimension(3,3,2,lattice_maxNnonSchmid,lattice_maxNslip) :: sns = 0.0_pReal
real(pReal), dimension(3,lattice_maxNtwin) :: td = 0.0_pReal, &
tn = 0.0_pReal
real(pReal), dimension(lattice_maxNtwin) :: ts = 0.0_pReal
integer(pInt), dimension(lattice_maxNslipFamily) :: myNslipSystem = 0_pInt
integer(pInt), dimension(lattice_maxNtwinFamily) :: myNtwinSystem = 0_pInt
integer(pInt) :: i,j,myNslip,myNtwin,myStructure = 0_pInt
logical :: processMe
processMe = .false. real(pReal), dimension(3) :: &
sdU, snU, &
np, nn
real(pReal), dimension(3,lattice_maxNslip) :: &
sd, sn
real(pReal), dimension(3,3,2,lattice_maxNnonSchmid,lattice_maxNslip) :: &
sns
real(pReal), dimension(3,lattice_maxNtwin) :: &
td, tn
real(pReal), dimension(lattice_maxNtwin) :: &
ts
integer(pInt) :: &
i,j, &
myNslip, myNtwin
select case(struct_ID) lattice_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(lattice_structure(myPhase),lattice_C66(1:6,1:6,myPhase))
lattice_mu(myPhase) = 0.2_pReal * (lattice_C66(1,1,myPhase) - lattice_C66(1,2,myPhase) + 3.0_pReal*lattice_C66(4,4,myPhase)) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
lattice_nu(myPhase) = (lattice_C66(1,1,myPhase) + 4.0_pReal*lattice_C66(1,2,myPhase) - 2.0_pReal*lattice_C66(4,4,myPhase)) &
/ (4.0_pReal*lattice_C66(1,1,myPhase) + 6.0_pReal*lattice_C66(1,2,myPhase) + 2.0_pReal*lattice_C66(4,4,myPhase)) ! C12iso/(C11iso+C12iso) with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
lattice_C3333(1:3,1:3,1:3,1:3,myPhase) = math_Voigt66to3333(lattice_C66(1:6,1:6,myPhase)) ! Literature data is Voigt
lattice_C66(1:6,1:6,myPhase) = math_Mandel3333to66(lattice_C3333(1:3,1:3,1:3,1:3,myPhase)) ! DAMASK uses Mandel
select case(lattice_structure(myPhase))
!--------------------------------------------------------------------------------------------------
! fcc
case (LATTICE_fcc_ID) case (LATTICE_fcc_ID)
myStructure = 1_pInt myNslip = lattice_fcc_Nslip
myNslipSystem = lattice_fcc_NslipSystem ! size of slip system families myNtwin = lattice_fcc_Ntwin
myNtwinSystem = lattice_fcc_NtwinSystem ! size of twin system families do i = 1_pInt,lattice_fcc_Nslip ! assign slip system vectors
myNslip = lattice_fcc_Nslip ! overall number of slip systems
myNtwin = lattice_fcc_Ntwin ! overall number of twin systems
lattice_fcc_Nstructure = lattice_fcc_Nstructure + 1_pInt ! count fcc instances
if (lattice_fcc_Nstructure == 1_pInt) then ! me is first fcc structure
processMe = .true.
lattice_NnonSchmid(myStructure) = lattice_fcc_NnonSchmid ! Currently no known non Schmid contributions for FCC (to be changed later)
do i = 1_pInt,myNslip ! assign slip system vectors
sd(1:3,i) = lattice_fcc_systemSlip(1:3,i) sd(1:3,i) = lattice_fcc_systemSlip(1:3,i)
sn(1:3,i) = lattice_fcc_systemSlip(4:6,i) sn(1:3,i) = lattice_fcc_systemSlip(4:6,i)
do j = 1_pInt,lattice_fcc_NnonSchmid
sns(1:3,1:3,1,j,i) = 0.0_pReal
sns(1:3,1:3,2,j,i) = 0.0_pReal
enddo enddo
enddo do i = 1_pInt,lattice_fcc_Ntwin ! assign twin system vectors and shears
do i = 1_pInt,myNtwin ! assign twin system vectors and shears
td(1:3,i) = lattice_fcc_systemTwin(1:3,i) td(1:3,i) = lattice_fcc_systemTwin(1:3,i)
tn(1:3,i) = lattice_fcc_systemTwin(4:6,i) tn(1:3,i) = lattice_fcc_systemTwin(4:6,i)
ts(i) = lattice_fcc_shearTwin(i) ts(i) = lattice_fcc_shearTwin(i)
enddo enddo
interactionSlipSlip => lattice_fcc_interactionSlipSlip print*, shape(lattice_NslipSystem),shape(lattice_fcc_NslipSystem)
interactionSlipTwin => lattice_fcc_interactionSlipTwin lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_fcc_NslipSystem
interactionTwinSlip => lattice_fcc_interactionTwinSlip lattice_NtwinSystem(1:lattice_maxNtwinFamily,myPhase) = lattice_fcc_NtwinSystem
interactionTwinTwin => lattice_fcc_interactionTwinTwin lattice_NnonSchmid(myPhase) = lattice_fcc_NnonSchmid
endif lattice_interactionSlipSlip(1:lattice_fcc_Nslip,1:lattice_fcc_Nslip,myPhase) = &
lattice_fcc_interactionSlipSlip
lattice_interactionSlipTwin(1:lattice_fcc_Nslip,1:lattice_fcc_Ntwin,myPhase) = &
lattice_fcc_interactionSlipTwin
lattice_interactionTwinSlip(1:lattice_fcc_Ntwin,1:lattice_fcc_Nslip,myPhase) = &
lattice_fcc_interactionTwinSlip
lattice_interactionTwinTwin(1:lattice_fcc_Ntwin,1:lattice_fcc_Ntwin,myPhase) = &
lattice_fcc_interactionTwinTwin
!--------------------------------------------------------------------------------------------------
! bcc
case (LATTICE_bcc_ID) case (LATTICE_bcc_ID)
myStructure = 2_pInt myNslip = lattice_bcc_Nslip
myNslipSystem = lattice_bcc_NslipSystem ! size of slip system families myNtwin = lattice_bcc_Ntwin
myNtwinSystem = lattice_bcc_NtwinSystem ! size of twin system families do i = 1_pInt,lattice_bcc_Nslip ! assign slip system vectors
myNslip = lattice_bcc_Nslip ! overall number of slip systems
myNtwin = lattice_bcc_Ntwin ! overall number of twin systems
lattice_bcc_Nstructure = lattice_bcc_Nstructure + 1_pInt ! count bcc instances
if (lattice_bcc_Nstructure == 1_pInt) then ! me is first bcc structure
processMe = .true.
lattice_NnonSchmid(myStructure) = lattice_bcc_NnonSchmid
do i = 1_pInt,myNslip ! assign slip system vectors
sd(1:3,i) = lattice_bcc_systemSlip(1:3,i) sd(1:3,i) = lattice_bcc_systemSlip(1:3,i)
sn(1:3,i) = lattice_bcc_systemSlip(4:6,i) sn(1:3,i) = lattice_bcc_systemSlip(4:6,i)
sdU = sd(1:3,i) / math_norm3(sd(1:3,i)) sdU = sd(1:3,i) / math_norm3(sd(1:3,i))
@ -1105,43 +1071,37 @@ integer(pInt) function lattice_initializeStructure(struct_ID,CoverA)
sns(1:3,1:3,1,6,i) = math_tensorproduct(sdU, sdU) sns(1:3,1:3,1,6,i) = math_tensorproduct(sdU, sdU)
sns(1:3,1:3,2,6,i) = math_tensorproduct(-sdU, -sdU) sns(1:3,1:3,2,6,i) = math_tensorproduct(-sdU, -sdU)
enddo enddo
do i = 1_pInt,myNtwin ! assign twin system vectors and shears do i = 1_pInt,lattice_bcc_Ntwin ! assign twin system vectors and shears
td(1:3,i) = lattice_bcc_systemTwin(1:3,i) td(1:3,i) = lattice_bcc_systemTwin(1:3,i)
tn(1:3,i) = lattice_bcc_systemTwin(4:6,i) tn(1:3,i) = lattice_bcc_systemTwin(4:6,i)
ts(i) = lattice_bcc_shearTwin(i) ts(i) = lattice_bcc_shearTwin(i)
enddo enddo
interactionSlipSlip => lattice_bcc_interactionSlipSlip lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_bcc_NslipSystem
interactionSlipTwin => lattice_bcc_interactionSlipTwin lattice_NtwinSystem(1:lattice_maxNtwinFamily,myPhase) = lattice_bcc_NtwinSystem
interactionTwinSlip => lattice_bcc_interactionTwinSlip lattice_NnonSchmid(myPhase) = lattice_bcc_NnonSchmid
interactionTwinTwin => lattice_bcc_interactionTwinTwin lattice_interactionSlipSlip(1:lattice_bcc_Nslip,1:lattice_bcc_Nslip,myPhase) = &
endif lattice_bcc_interactionSlipSlip
lattice_interactionSlipTwin(1:lattice_bcc_Nslip,1:lattice_bcc_Ntwin,myPhase) = &
lattice_bcc_interactionSlipTwin
lattice_interactionTwinSlip(1:lattice_bcc_Ntwin,1:lattice_bcc_Nslip,myPhase) = &
lattice_bcc_interactionTwinSlip
lattice_interactionTwinTwin(1:lattice_bcc_Ntwin,1:lattice_bcc_Ntwin,myPhase) = &
lattice_bcc_interactionTwinTwin
!--------------------------------------------------------------------------------------------------
! hex (including conversion from miller-bravais (a1=a2=a3=c) to miller (a, b, c) indices)
case (LATTICE_hex_ID) case (LATTICE_hex_ID)
if (CoverA < 1.0_pReal .or. CoverA > 2.0_pReal) call IO_error(206_pInt) ! checking physical significance of c/a myNslip = lattice_hex_Nslip
myNtwin = lattice_hex_Ntwin
lattice_hex_Nstructure = lattice_hex_Nstructure + 1_pInt ! count instances of hex structures do i = 1_pInt,lattice_hex_Nslip ! assign slip system vectors
myStructure = 2_pInt + lattice_hex_Nstructure ! 3,4,5,.. for hex
myNslipSystem = lattice_hex_NslipSystem ! size of slip system families
myNtwinSystem = lattice_hex_NtwinSystem ! size of twin system families
myNslip = lattice_hex_Nslip ! overall number of slip systems
myNtwin = lattice_hex_Ntwin ! overall number of twin systems
processMe = .true.
lattice_NnonSchmid(myStructure) = lattice_hex_NnonSchmid ! Currently no known non Schmid contributions for hex (to be changed later)
! converting from 4 axes coordinate system (a1=a2=a3=c) to ortho-hexagonal system (a, b, c)
do i = 1_pInt,myNslip
sd(1,i) = lattice_hex_systemSlip(1,i)*1.5_pReal ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)] sd(1,i) = lattice_hex_systemSlip(1,i)*1.5_pReal ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)]
sd(2,i) = (lattice_hex_systemSlip(1,i)+2.0_pReal*lattice_hex_systemSlip(2,i))*(0.5_pReal*sqrt(3.0_pReal)) sd(2,i) = (lattice_hex_systemSlip(1,i)+2.0_pReal*lattice_hex_systemSlip(2,i))*(0.5_pReal*sqrt(3.0_pReal))
sd(3,i) = lattice_hex_systemSlip(4,i)*CoverA sd(3,i) = lattice_hex_systemSlip(4,i)*CoverA
sn(1,i) = lattice_hex_systemSlip(5,i) ! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a)) sn(1,i) = lattice_hex_systemSlip(5,i) ! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a))
sn(2,i) = (lattice_hex_systemSlip(5,i)+2.0_pReal*lattice_hex_systemSlip(6,i))/sqrt(3.0_pReal) sn(2,i) = (lattice_hex_systemSlip(5,i)+2.0_pReal*lattice_hex_systemSlip(6,i))/sqrt(3.0_pReal)
sn(3,i) = lattice_hex_systemSlip(8,i)/CoverA sn(3,i) = lattice_hex_systemSlip(8,i)/CoverA
do j = 1_pInt,lattice_hex_NnonSchmid
sns(1:3,1:3,1,j,i) = 0.0_pReal
sns(1:3,1:3,2,j,i) = 0.0_pReal
enddo enddo
enddo do i = 1_pInt,lattice_hex_Ntwin ! assign twin system vectors and shears
do i = 1_pInt,myNtwin
td(1,i) = lattice_hex_systemTwin(1,i)*1.5_pReal td(1,i) = lattice_hex_systemTwin(1,i)*1.5_pReal
td(2,i) = (lattice_hex_systemTwin(1,i)+2.0_pReal*lattice_hex_systemTwin(2,i))*(0.5_pReal*sqrt(3.0_pReal)) td(2,i) = (lattice_hex_systemTwin(1,i)+2.0_pReal*lattice_hex_systemTwin(2,i))*(0.5_pReal*sqrt(3.0_pReal))
td(3,i) = lattice_hex_systemTwin(4,i)*CoverA td(3,i) = lattice_hex_systemTwin(4,i)*CoverA
@ -1159,100 +1119,99 @@ integer(pInt) function lattice_initializeStructure(struct_ID,CoverA)
ts(i) = 2.0_pReal*(CoverA*CoverA-2.0_pReal)/3.0_pReal/CoverA ts(i) = 2.0_pReal*(CoverA*CoverA-2.0_pReal)/3.0_pReal/CoverA
end select end select
enddo enddo
lattice_NslipSystem(1:lattice_maxNslipFamily,myPhase) = lattice_hex_NslipSystem
lattice_NtwinSystem(1:lattice_maxNtwinFamily,myPhase) = lattice_hex_NtwinSystem
lattice_NnonSchmid(myPhase) = lattice_hex_NnonSchmid
lattice_interactionSlipSlip(1:lattice_hex_Nslip,1:lattice_hex_Nslip,myPhase) = &
lattice_hex_interactionSlipSlip
lattice_interactionSlipTwin(1:lattice_hex_Nslip,1:lattice_hex_Ntwin,myPhase) = &
lattice_hex_interactionSlipTwin
lattice_interactionTwinSlip(1:lattice_hex_Ntwin,1:lattice_hex_Nslip,myPhase) = &
lattice_hex_interactionTwinSlip
lattice_interactionTwinTwin(1:lattice_hex_Ntwin,1:lattice_hex_Ntwin,myPhase) = &
lattice_hex_interactionTwinTwin
interactionSlipSlip => lattice_hex_interactionSlipSlip !--------------------------------------------------------------------------------------------------
interactionSlipTwin => lattice_hex_interactionSlipTwin ! orthorombic and isotropic (no crystal plasticity)
interactionTwinSlip => lattice_hex_interactionTwinSlip case (LATTICE_ort_ID, LATTICE_iso_ID)
interactionTwinTwin => lattice_hex_interactionTwinTwin myNslip = 0_pInt
myNtwin = 0_pInt
!--------------------------------------------------------------------------------------------------
! something went wrong
case default case default
processMe = .false. print*, 'error'
myStructure = 0_pInt
end select end select
if (processMe) then
if (myStructure > lattice_Nstructure) &
call IO_error(666_pInt,myStructure,ext_msg = 'structure index out of bounds') ! check for memory leakage
do i = 1_pInt,myNslip ! store slip system vectors and Schmid matrix for my structure do i = 1_pInt,myNslip ! store slip system vectors and Schmid matrix for my structure
lattice_sd(1:3,i,myStructure) = sd(1:3,i)/math_norm3(sd(1:3,i)) ! make unit vector lattice_sd(1:3,i,myPhase) = sd(1:3,i)/math_norm3(sd(1:3,i)) ! make unit vector
lattice_sn(1:3,i,myStructure) = sn(1:3,i)/math_norm3(sn(1:3,i)) ! make unit vector lattice_sn(1:3,i,myPhase) = sn(1:3,i)/math_norm3(sn(1:3,i)) ! make unit vector
lattice_st(1:3,i,myStructure) = math_vectorproduct(lattice_sd(1:3,i,myStructure), & lattice_st(1:3,i,myPhase) = math_vectorproduct(lattice_sd(1:3,i,myPhase), &
lattice_sn(1:3,i,myStructure)) lattice_sn(1:3,i,myPhase))
lattice_Sslip(1:3,1:3,1,i,myStructure) = math_tensorproduct(lattice_sd(1:3,i,myStructure), & lattice_Sslip(1:3,1:3,1,i,myPhase) = math_tensorproduct(lattice_sd(1:3,i,myPhase), &
lattice_sn(1:3,i,myStructure)) lattice_sn(1:3,i,myPhase))
do j = 1_pInt,lattice_NnonSchmid(myStructure) do j = 1_pInt,lattice_NnonSchmid(myPhase)
lattice_Sslip(1:3,1:3,2*j ,i,myStructure) = sns(1:3,1:3,1,j,i) lattice_Sslip(1:3,1:3,2*j ,i,myPhase) = sns(1:3,1:3,1,j,i)
lattice_Sslip(1:3,1:3,2*j+1,i,myStructure) = sns(1:3,1:3,2,j,i) lattice_Sslip(1:3,1:3,2*j+1,i,myPhase) = sns(1:3,1:3,2,j,i)
enddo enddo
do j = 1_pInt,1_pInt+2_pInt*lattice_NnonSchmid(myStructure) do j = 1_pInt,1_pInt+2_pInt*lattice_NnonSchmid(myPhase)
lattice_Sslip_v(1:6,j,i,myStructure) = & lattice_Sslip_v(1:6,j,i,myPhase) = &
math_Mandel33to6(math_symmetric33(lattice_Sslip(1:3,1:3,j,i,myStructure))) math_Mandel33to6(math_symmetric33(lattice_Sslip(1:3,1:3,j,i,myPhase)))
enddo enddo
if (abs(math_trace33(lattice_Sslip(1:3,1:3,1,i,myStructure))) > 1.0e-8_pReal) & if (abs(math_trace33(lattice_Sslip(1:3,1:3,1,i,myPhase))) > tol_math_check) &
call IO_error(0_pInt,myStructure,i,0_pInt,ext_msg = 'dilatational slip Schmid matrix') call IO_error(0_pInt,myPhase,i,0_pInt,ext_msg = 'dilatational slip Schmid matrix')
enddo enddo
do i = 1_pInt,myNtwin ! store twin system vectors and Schmid plus rotation matrix for my structure do i = 1_pInt,myNtwin ! store twin system vectors and Schmid plus rotation matrix for my structure
lattice_td(1:3,i,myStructure) = td(1:3,i)/math_norm3(td(1:3,i)) ! make unit vector lattice_td(1:3,i,myPhase) = td(1:3,i)/math_norm3(td(1:3,i)) ! make unit vector
lattice_tn(1:3,i,myStructure) = tn(1:3,i)/math_norm3(tn(1:3,i)) ! make unit vector lattice_tn(1:3,i,myPhase) = tn(1:3,i)/math_norm3(tn(1:3,i)) ! make unit vector
lattice_tt(1:3,i,myStructure) = math_vectorproduct(lattice_td(1:3,i,myStructure), & lattice_tt(1:3,i,myPhase) = math_vectorproduct(lattice_td(1:3,i,myPhase), &
lattice_tn(1:3,i,myStructure)) lattice_tn(1:3,i,myPhase))
lattice_Stwin(1:3,1:3,i,myStructure) = math_tensorproduct(lattice_td(1:3,i,myStructure), & lattice_Stwin(1:3,1:3,i,myPhase) = math_tensorproduct(lattice_td(1:3,i,myPhase), &
lattice_tn(1:3,i,myStructure)) lattice_tn(1:3,i,myPhase))
lattice_Stwin_v(1:6,i,myStructure) = math_Mandel33to6(math_symmetric33(lattice_Stwin(1:3,1:3,i,myStructure))) lattice_Stwin_v(1:6,i,myPhase) = math_Mandel33to6(math_symmetric33(lattice_Stwin(1:3,1:3,i,myPhase)))
lattice_Qtwin(1:3,1:3,i,myStructure) = math_axisAngleToR(tn(1:3,i),180.0_pReal*INRAD) lattice_Qtwin(1:3,1:3,i,myPhase) = math_axisAngleToR(tn(1:3,i),180.0_pReal*INRAD)
lattice_shearTwin(i,myStructure) = ts(i) lattice_shearTwin(i,myPhase) = ts(i)
if (abs(math_trace33(lattice_Stwin(1:3,1:3,i,myStructure))) > 1.0e-8_pReal) & if (abs(math_trace33(lattice_Stwin(1:3,1:3,i,myPhase))) > tol_math_check) &
call IO_error(0_pInt,myStructure,i,0_pInt,ext_msg = 'dilatational twin Schmid matrix') call IO_error(301_pInt,myPhase,ext_msg = 'dilatational twin Schmid matrix')
enddo enddo
lattice_NslipSystem(1:lattice_maxNslipFamily,myStructure) = myNslipSystem ! number of slip systems in each family
lattice_NtwinSystem(1:lattice_maxNtwinFamily,myStructure) = myNtwinSystem ! number of twin systems in each family
lattice_interactionSlipSlip(1:myNslip,1:myNslip,myStructure) = interactionSlipSlip(1:myNslip,1:myNslip)
lattice_interactionSlipTwin(1:myNslip,1:myNtwin,myStructure) = interactionSlipTwin(1:myNslip,1:myNtwin)
lattice_interactionTwinSlip(1:myNtwin,1:myNslip,myStructure) = interactionTwinSlip(1:myNtwin,1:myNslip)
lattice_interactionTwinTwin(1:myNtwin,1:myNtwin,myStructure) = interactionTwinTwin(1:myNtwin,1:myNtwin)
endif
lattice_initializeStructure = myStructure ! report my structure index back print*, lattice_Stwin
print*, lattice_C66
print*, lattice_C3333
print*, lattice_mu
print*, lattice_nu
print*, lattice_sd
print*, lattice_sn
print*, lattice_st
print*, lattice_sslip
print*, lattice_td
print*, lattice_tn
print*, lattice_tt
print*, lattice_sd
print*, lattice_sn
print*, lattice_stwin
print*, lattice_qtwin
print*, lattice_qtwin
print*, lattice_sheartwin
end function lattice_initializeStructure end subroutine lattice_initializeStructure
!--------------------------------------------------------------------------------------------------
!> @brief Maps structure to symmetry type
!> @details fcc(1) and bcc(2) are cubic(1) hex(3+) is hexagonal(2)
!--------------------------------------------------------------------------------------------------
integer(pInt) pure function lattice_symmetryType(struct_ID)
implicit none
integer(kind(LATTICE_fcc_ID)), intent(in) :: struct_ID
select case(struct_ID)
case (LATTICE_fcc_ID,LATTICE_bcc_ID)
lattice_symmetryType = 1_pInt
case (LATTICE_hex_ID)
lattice_symmetryType = 2_pInt
case default
lattice_symmetryType = 0_pInt
end select
return
end function lattice_symmetryType
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Symmetrizes stiffness matrix according to lattice type !> @brief Symmetrizes stiffness matrix according to lattice type
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function lattice_symmetrizeC66(struct_ID,C66) pure function lattice_symmetrizeC66(struct,C66)
implicit none implicit none
integer(kind(LATTICE_fcc_ID)), intent(in) :: struct_ID integer(kind(LATTICE_undefined_ID)), intent(in) :: struct
real(pReal), dimension(6,6), intent(in) :: C66 real(pReal), dimension(6,6), intent(in) :: C66
real(pReal), dimension(6,6) :: lattice_symmetrizeC66 real(pReal), dimension(6,6) :: lattice_symmetrizeC66
integer(pInt) :: j,k integer(pInt) :: j,k
lattice_symmetrizeC66 = 0.0_pReal lattice_symmetrizeC66 = 0.0_pReal
select case(struct_ID) select case(struct)
case (LATTICE_iso_ID) case (LATTICE_iso_ID)
forall(k=1_pInt:3_pInt) forall(k=1_pInt:3_pInt)
forall(j=1_pInt:3_pInt) lattice_symmetrizeC66(k,j) = C66(1,2) forall(j=1_pInt:3_pInt) lattice_symmetrizeC66(k,j) = C66(1,2)
@ -1291,6 +1250,8 @@ pure function lattice_symmetrizeC66(struct_ID,C66)
lattice_symmetrizeC66(4,4) = C66(4,4) lattice_symmetrizeC66(4,4) = C66(4,4)
lattice_symmetrizeC66(5,5) = C66(5,5) lattice_symmetrizeC66(5,5) = C66(5,5)
lattice_symmetrizeC66(6,6) = C66(6,6) lattice_symmetrizeC66(6,6) = C66(6,6)
case default
lattice_symmetrizeC66 = C66
end select end select
end function lattice_symmetrizeC66 end function lattice_symmetrizeC66
@ -1299,25 +1260,25 @@ pure function lattice_symmetrizeC66(struct_ID,C66)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief figures whether unit quat falls into stereographic standard triangle !> @brief figures whether unit quat falls into stereographic standard triangle
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical pure function lattice_qInSST(Q, symmetryType) logical pure function lattice_qInSST(Q, struct)
use math, only: & use math, only: &
math_qToRodrig math_qToRodrig
implicit none implicit none
real(pReal), dimension(4), intent(in) :: Q ! orientation real(pReal), dimension(4), intent(in) :: Q ! orientation
integer(pInt), intent(in) :: symmetryType ! Type of crystal symmetry; 1:cubic, 2:hexagonal integer(kind(LATTICE_undefined_ID)), intent(in) :: struct ! lattice structure
real(pReal), dimension(3) :: Rodrig ! Rodrigues vector of Q real(pReal), dimension(3) :: Rodrig ! Rodrigues vector of Q
Rodrig = math_qToRodrig(Q) Rodrig = math_qToRodrig(Q)
if (any(Rodrig/=Rodrig)) then if (any(Rodrig/=Rodrig)) then
lattice_qInSST = .false. lattice_qInSST = .false.
else else
select case (symmetryType) select case (struct)
case (1_pInt) case (LATTICE_bcc_ID,LATTICE_fcc_ID)
lattice_qInSST = Rodrig(1) > Rodrig(2) .and. & lattice_qInSST = Rodrig(1) > Rodrig(2) .and. &
Rodrig(2) > Rodrig(3) .and. & Rodrig(2) > Rodrig(3) .and. &
Rodrig(3) > 0.0_pReal Rodrig(3) > 0.0_pReal
case (2_pInt) case (LATTICE_hex_ID)
lattice_qInSST = Rodrig(1) > sqrt(3.0_pReal)*Rodrig(2) .and. & lattice_qInSST = Rodrig(1) > sqrt(3.0_pReal)*Rodrig(2) .and. &
Rodrig(2) > 0.0_pReal .and. & Rodrig(2) > 0.0_pReal .and. &
Rodrig(3) > 0.0_pReal Rodrig(3) > 0.0_pReal
@ -1332,103 +1293,67 @@ end function lattice_qInSST
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates the disorientation for 2 unit quaternions !> @brief calculates the disorientation for 2 unit quaternions
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function lattice_qDisorientation(Q1, Q2, symmetryType) pure function lattice_qDisorientation(Q1, Q2, struct)
use prec, only: & use prec, only: &
tol_math_check tol_math_check
use IO, only: &
IO_error
use math, only: & use math, only: &
math_qMul, & math_qMul, &
math_qConj math_qConj
implicit none implicit none
real(pReal), dimension(4) :: lattice_qDisorientation real(pReal), dimension(4) :: lattice_qDisorientation
real(pReal), dimension(4), intent(in) :: Q1, & ! 1st orientation real(pReal), dimension(4), intent(in) :: &
Q1, & ! 1st orientation
Q2 ! 2nd orientation Q2 ! 2nd orientation
integer(pInt), intent(in) :: symmetryType ! Type of crystal symmetry; 1:cubic, 2:hexagonal integer(kind(LATTICE_undefined_ID)), optional, intent(in) :: & ! if given, symmetries between the two orientation will be considered
struct
! integer(kind(LATTICE_undefined_ID)), optional, intent(in) :: & ! if given, symmetries between the two orientation will be considered
! struct
real(pReal), dimension(4) :: dQ,dQsymA,mis real(pReal), dimension(4) :: dQ,dQsymA,mis
integer(pInt) :: i,j,k,s integer(pInt) :: i,j,k,s,symmetry
integer(kind(LATTICE_undefined_ID)) :: myStruct
!--------------------------------------------------------------------------------------------------
! check if a structure with known symmetries is given
if (present(struct)) then
myStruct = struct
select case (struct)
case(LATTICE_fcc_ID,LATTICE_bcc_ID)
symmetry = 1_pInt
case(LATTICE_hex_ID)
symmetry = 2_pInt
case default
symmetry = 0_pInt
end select
else
symmetry = 0_pInt
myStruct = LATTICE_undefined_ID
endif
!--------------------------------------------------------------------------------------------------
! calculate misorientation, for cubic(1) and hexagonal(2) structure find symmetries
dQ = math_qMul(math_qConj(Q1),Q2) dQ = math_qMul(math_qConj(Q1),Q2)
lattice_qDisorientation = dQ lattice_qDisorientation = dQ
select case (symmetryType) select case(symmetry)
case (0_pInt)
if (lattice_qDisorientation(1) < 0.0_pReal) &
lattice_qDisorientation = -lattice_qDisorientation ! keep omega within 0 to 180 deg
case (1_pInt,2_pInt) case (1_pInt,2_pInt)
s = sum(lattice_NsymOperations(1:symmetryType-1_pInt)) s = sum(lattice_NsymOperations(1:symmetry-1_pInt))
do i = 1_pInt,2_pInt do i = 1_pInt,2_pInt
dQ = math_qConj(dQ) ! switch order of "from -- to" dQ = math_qConj(dQ) ! switch order of "from -- to"
do j = 1_pInt,lattice_NsymOperations(symmetryType) ! run through first crystal's symmetries do j = 1_pInt,lattice_NsymOperations(symmetry) ! run through first crystal's symmetries
dQsymA = math_qMul(lattice_symOperations(1:4,s+j),dQ) ! apply sym dQsymA = math_qMul(lattice_symOperations(1:4,s+j),dQ) ! apply sym
do k = 1_pInt,lattice_NsymOperations(symmetryType) ! run through 2nd crystal's symmetries do k = 1_pInt,lattice_NsymOperations(symmetry) ! run through 2nd crystal's symmetries
mis = math_qMul(dQsymA,lattice_symOperations(1:4,s+k)) ! apply sym mis = math_qMul(dQsymA,lattice_symOperations(1:4,s+k)) ! apply sym
if (mis(1) < 0.0_pReal) & ! want positive angle if (mis(1) < 0.0_pReal) & ! want positive angle
mis = -mis mis = -mis
if (mis(1)-lattice_qDisorientation(1) > -tol_math_check .and. & if (mis(1)-lattice_qDisorientation(1) > -tol_math_check &
lattice_qInSST(mis,symmetryType)) & .and. lattice_qInSST(mis,LATTICE_undefined_ID)) lattice_qDisorientation = mis ! found better one
lattice_qDisorientation = mis ! found better one
enddo; enddo; enddo enddo; enddo; enddo
case default case (0_pInt)
call IO_error(450_pInt,symmetryType) ! complain about unknown symmetry if (lattice_qDisorientation(1) < 0.0_pReal) lattice_qDisorientation = -lattice_qDisorientation ! keep omega within 0 to 180 deg
end select end select
end function lattice_qDisorientation end function lattice_qDisorientation
!--------------------------------------------------------------------------------------------------
!> @brief Number of parameters to expect in material.config section
! NslipFamilies
! NtwinFamilies
! SlipSlipInteraction
! SlipTwinInteraction
! TwinSlipInteraction
! TwinTwinInteraction
! NnonSchmid
!--------------------------------------------------------------------------------------------------
function lattice_configNchunks(struct_ID)
use prec, only: &
pInt
implicit none
integer(pInt), dimension(7) :: lattice_configNchunks
integer(kind(LATTICE_fcc_ID)) :: struct_ID
select case(struct_ID)
case (LATTICE_fcc_ID)
lattice_configNchunks(1) = count(lattice_fcc_NslipSystem > 0_pInt)
lattice_configNchunks(2) = count(lattice_fcc_NtwinSystem > 0_pInt)
lattice_configNchunks(3) = maxval(lattice_fcc_interactionSlipSlip)
lattice_configNchunks(4) = maxval(lattice_fcc_interactionSlipTwin)
lattice_configNchunks(5) = maxval(lattice_fcc_interactionTwinSlip)
lattice_configNchunks(6) = maxval(lattice_fcc_interactionTwinTwin)
lattice_configNchunks(7) = lattice_fcc_NnonSchmid
case (LATTICE_bcc_ID)
lattice_configNchunks(1) = count(lattice_bcc_NslipSystem > 0_pInt)
lattice_configNchunks(2) = count(lattice_bcc_NtwinSystem > 0_pInt)
lattice_configNchunks(3) = maxval(lattice_bcc_interactionSlipSlip)
lattice_configNchunks(4) = maxval(lattice_bcc_interactionSlipTwin)
lattice_configNchunks(5) = maxval(lattice_bcc_interactionTwinSlip)
lattice_configNchunks(6) = maxval(lattice_bcc_interactionTwinTwin)
lattice_configNchunks(7) = lattice_bcc_NnonSchmid
case (LATTICE_hex_ID)
lattice_configNchunks(1) = count(lattice_hex_NslipSystem > 0_pInt)
lattice_configNchunks(2) = count(lattice_hex_NtwinSystem > 0_pInt)
lattice_configNchunks(3) = maxval(lattice_hex_interactionSlipSlip)
lattice_configNchunks(4) = maxval(lattice_hex_interactionSlipTwin)
lattice_configNchunks(5) = maxval(lattice_hex_interactionTwinSlip)
lattice_configNchunks(6) = maxval(lattice_hex_interactionTwinTwin)
lattice_configNchunks(7) = lattice_hex_NnonSchmid
end select
end function lattice_configNchunks
end module lattice end module lattice