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Merge commit 'v2.0.2-1494-gc92e8c03'

This commit is contained in:
Test User 2019-01-25 07:33:48 +01:00
parent 05e255b70b c92e8c034d
commit 9e06e90e89
4 changed files with 1139 additions and 1506 deletions
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4
src/IO.f90
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@ -1236,6 +1236,10 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
msg = 'zero entry on stiffness diagonal' msg = 'zero entry on stiffness diagonal'
case (136_pInt) case (136_pInt)
msg = 'zero entry on stiffness diagonal for transformed phase' msg = 'zero entry on stiffness diagonal for transformed phase'
case (137_pInt)
msg = 'not defined for lattice structure'
case (138_pInt)
msg = 'not enough interaction parameters given'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! errors related to the parsing of material.config ! errors related to the parsing of material.config

2
src/constitutive.f90
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@ -151,7 +151,7 @@ subroutine constitutive_init()
if (any(phase_plasticity == PLASTICITY_ISOTROPIC_ID)) call plastic_isotropic_init if (any(phase_plasticity == PLASTICITY_ISOTROPIC_ID)) call plastic_isotropic_init
if (any(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID)) call plastic_phenopowerlaw_init if (any(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID)) call plastic_phenopowerlaw_init
if (any(phase_plasticity == PLASTICITY_KINEHARDENING_ID)) call plastic_kinehardening_init if (any(phase_plasticity == PLASTICITY_KINEHARDENING_ID)) call plastic_kinehardening_init
if (any(phase_plasticity == PLASTICITY_DISLOTWIN_ID)) call plastic_dislotwin_init(FILEUNIT) if (any(phase_plasticity == PLASTICITY_DISLOTWIN_ID)) call plastic_dislotwin_init
if (any(phase_plasticity == PLASTICITY_DISLOUCLA_ID)) call plastic_disloucla_init if (any(phase_plasticity == PLASTICITY_DISLOUCLA_ID)) call plastic_disloucla_init
if (any(phase_plasticity == PLASTICITY_NONLOCAL_ID)) then if (any(phase_plasticity == PLASTICITY_NONLOCAL_ID)) then
call plastic_nonlocal_init(FILEUNIT) call plastic_nonlocal_init(FILEUNIT)

2220
src/lattice.f90
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File diff suppressed because it is too large Load Diff

341
src/plastic_dislotwin.f90
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@ -104,12 +104,11 @@ module plastic_dislotwin
interaction_TwinSlip, & !< coefficients for twin-slip interaction for each interaction type interaction_TwinSlip, & !< coefficients for twin-slip interaction for each interaction type
interaction_TwinTwin, & !< coefficients for twin-twin interaction for each interaction type interaction_TwinTwin, & !< coefficients for twin-twin interaction for each interaction type
interaction_SlipTrans, & !< coefficients for slip-trans interaction for each interaction type interaction_SlipTrans, & !< coefficients for slip-trans interaction for each interaction type
interaction_TransSlip, & !< coefficients for trans-slip interaction for each interaction type
interaction_TransTrans !< coefficients for trans-trans interaction for each interaction type interaction_TransTrans !< coefficients for trans-trans interaction for each interaction type
integer(pInt), dimension(:,:), allocatable :: & integer(pInt), dimension(:,:), allocatable :: &
fcc_twinNucleationSlipPair fcc_twinNucleationSlipPair ! ToDo: Better name? Is also use for trans
real(pReal), dimension(:,:), allocatable :: & real(pReal), dimension(:,:), allocatable :: &
forestProjectionEdge, & forestProjection, &
C66 C66
real(pReal), dimension(:,:,:), allocatable :: & real(pReal), dimension(:,:,:), allocatable :: &
Schmid_trans, & Schmid_trans, &
@ -124,7 +123,7 @@ module plastic_dislotwin
outputID !< ID of each post result output outputID !< ID of each post result output
logical :: & logical :: &
isFCC !< twinning and transformation models are for fcc fccTwinTransNucleation !< twinning and transformation models are for fcc
integer(pInt) :: & integer(pInt) :: &
totalNslip, & !< number of active slip systems for each family and instance totalNslip, & !< number of active slip systems for each family and instance
totalNtwin, & !< number of active twin systems for each family and instance totalNtwin, & !< number of active twin systems for each family and instance
@ -190,7 +189,7 @@ contains
!> @brief module initialization !> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks !> @details reads in material parameters, allocates arrays, and does sanity checks
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_init(fileUnit) subroutine plastic_dislotwin_init
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800 #if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: & use, intrinsic :: iso_fortran_env, only: &
compiler_version, & compiler_version, &
@ -230,8 +229,6 @@ subroutine plastic_dislotwin_init(fileUnit)
use lattice use lattice
implicit none implicit none
integer(pInt), intent(in) :: fileUnit
integer(pInt) :: Ninstance,& integer(pInt) :: Ninstance,&
f,j,i,k,o,p, & f,j,i,k,o,p, &
offset_slip, index_myFamily, index_otherFamily, & offset_slip, index_myFamily, index_otherFamily, &
@ -239,20 +236,11 @@ subroutine plastic_dislotwin_init(fileUnit)
integer(pInt) :: sizeState, sizeDotState integer(pInt) :: sizeState, sizeDotState
integer(pInt) :: NipcMyPhase integer(pInt) :: NipcMyPhase
real(pReal), allocatable, dimension(:,:) :: temp1,temp2 integer(pInt), dimension(1,200), parameter :: lattice_ntranssystem = 12 ! HACK!!
integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::] integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::]
real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::] real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::]
character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::] character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::]
type(tParameters) :: &
prm
type(tDislotwinState) :: &
stt, &
dot
type(tDislotwinMicrostructure) :: &
mse
integer(kind(undefined_ID)) :: & integer(kind(undefined_ID)) :: &
outputID !< ID of each post result output outputID !< ID of each post result output
@ -293,42 +281,51 @@ subroutine plastic_dislotwin_init(fileUnit)
associate(prm => param(phase_plasticityInstance(p)), & associate(prm => param(phase_plasticityInstance(p)), &
dot => dotState(phase_plasticityInstance(p)), & dot => dotState(phase_plasticityInstance(p)), &
stt => state(phase_plasticityInstance(p)), & stt => state(phase_plasticityInstance(p)), &
mse => microstructure(phase_plasticityInstance(p))) mse => microstructure(phase_plasticityInstance(p)), &
config => config_phase(p))
! This data is read in already in lattice ! This data is read in already in lattice
prm%isFCC = merge(.true., .false., lattice_structure(p) == LATTICE_FCC_ID)
prm%mu = lattice_mu(p) prm%mu = lattice_mu(p)
prm%nu = lattice_nu(p) prm%nu = lattice_nu(p)
prm%C66 = lattice_C66(1:6,1:6,p) prm%C66 = lattice_C66(1:6,1:6,p)
structure = config_phase(p)%getString('lattice_structure') structure = config%getString('lattice_structure')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! slip related parameters ! slip related parameters
prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyIntArray) prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray)
prm%totalNslip = sum(prm%Nslip) prm%totalNslip = sum(prm%Nslip)
slipActive: if (prm%totalNslip > 0_pInt) then slipActive: if (prm%totalNslip > 0_pInt) then
prm%fccTwinTransNucleation = merge(.true., .false., lattice_structure(p) == LATTICE_FCC_ID) &
.and. (prm%Nslip(1) == 12_pInt)
if(prm%fccTwinTransNucleation) &
prm%fcc_twinNucleationSlipPair = lattice_fcc_twinNucleationSlipPair
prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),& prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),&
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%forestProjection = lattice_forestProjection (prm%Nslip,structure(1:3),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, & prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, &
config_phase(p)%getFloats('interaction_slipslip'), & config%getFloats('interaction_slipslip'), &
structure(1:3)) structure(1:3))
prm%rho0 = config_phase(p)%getFloats('rhoedge0', requiredShape=shape(prm%Nslip)) !ToDo: rename to rho_0 prm%rho0 = config%getFloats('rhoedge0', requiredShape=shape(prm%Nslip)) !ToDo: rename to rho_0
prm%rhoDip0 = config_phase(p)%getFloats('rhoedgedip0',requiredShape=shape(prm%Nslip)) !ToDo: rename to rho_dip_0 prm%rhoDip0 = config%getFloats('rhoedgedip0',requiredShape=shape(prm%Nslip)) !ToDo: rename to rho_dip_0
prm%v0 = config_phase(p)%getFloats('v0', requiredShape=shape(prm%Nslip)) prm%v0 = config%getFloats('v0', requiredShape=shape(prm%Nslip))
prm%burgers_slip = config_phase(p)%getFloats('slipburgers',requiredShape=shape(prm%Nslip)) prm%burgers_slip = config%getFloats('slipburgers',requiredShape=shape(prm%Nslip))
prm%Qedge = config_phase(p)%getFloats('qedge', requiredShape=shape(prm%Nslip)) !ToDo: rename (ask Karo) prm%Qedge = config%getFloats('qedge', requiredShape=shape(prm%Nslip)) !ToDo: rename (ask Karo)
prm%CLambdaSlip = config_phase(p)%getFloats('clambdaslip',requiredShape=shape(prm%Nslip)) prm%CLambdaSlip = config%getFloats('clambdaslip',requiredShape=shape(prm%Nslip))
prm%p = config_phase(p)%getFloats('p_slip', requiredShape=shape(prm%Nslip)) prm%p = config%getFloats('p_slip', requiredShape=shape(prm%Nslip))
prm%q = config_phase(p)%getFloats('q_slip', requiredShape=shape(prm%Nslip)) prm%q = config%getFloats('q_slip', requiredShape=shape(prm%Nslip))
prm%B = config_phase(p)%getFloats('b', requiredShape=shape(prm%Nslip), & prm%B = config%getFloats('b', requiredShape=shape(prm%Nslip), &
defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))])
prm%tau_peierls = config_phase(p)%getFloats('tau_peierls',requiredShape=shape(prm%Nslip), &
defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))])
prm%tau_peierls = config%getFloats('tau_peierls',requiredShape=shape(prm%Nslip), &
defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) ! Deprecated
prm%CEdgeDipMinDistance = config_phase(p)%getFloat('cedgedipmindistance') prm%CEdgeDipMinDistance = config%getFloat('cedgedipmindistance')
! expand: family => system ! expand: family => system
prm%rho0 = math_expand(prm%rho0, prm%Nslip) prm%rho0 = math_expand(prm%rho0, prm%Nslip)
@ -360,28 +357,33 @@ subroutine plastic_dislotwin_init(fileUnit)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! twin related parameters ! twin related parameters
prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyIntArray) prm%Ntwin = config%getInts('ntwin', defaultVal=emptyIntArray)
prm%totalNtwin = sum(prm%Ntwin) prm%totalNtwin = sum(prm%Ntwin)
if (prm%totalNtwin > 0_pInt) then if (prm%totalNtwin > 0_pInt) then
prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,structure(1:3),& prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,structure(1:3),&
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)) config%getFloat('c/a',defaultVal=0.0_pReal))
prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,& prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,&
config_phase(p)%getFloats('interaction_twintwin'), & config%getFloats('interaction_twintwin'), &
structure(1:3)) structure(1:3))
prm%burgers_twin = config_phase(p)%getFloats('twinburgers') prm%burgers_twin = config%getFloats('twinburgers')
prm%twinsize = config_phase(p)%getFloats('twinsize') prm%twinsize = config%getFloats('twinsize')
prm%r = config_phase(p)%getFloats('r_twin') prm%r = config%getFloats('r_twin')
prm%xc_twin = config_phase(p)%getFloat('xc_twin') prm%xc_twin = config%getFloat('xc_twin')
prm%L0_twin = config_phase(p)%getFloat('l0_twin') prm%L0_twin = config%getFloat('l0_twin')
prm%MaxTwinFraction = config_phase(p)%getFloat('maxtwinfraction') ! ToDo: only used in postResults prm%MaxTwinFraction = config%getFloat('maxtwinfraction') ! ToDo: only used in postResults
prm%Cthresholdtwin = config_phase(p)%getFloat('cthresholdtwin', defaultVal=0.0_pReal) prm%Cthresholdtwin = config%getFloat('cthresholdtwin', defaultVal=0.0_pReal)
prm%Cmfptwin = config_phase(p)%getFloat('cmfptwin', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%Cmfptwin = config%getFloat('cmfptwin', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%shear_twin = lattice_characteristicShear_Twin(prm%Ntwin,structure(1:3),&
config%getFloat('c/a',defaultVal=0.0_pReal))
if (.not. prm%isFCC) then prm%C66_twin = lattice_C66_twin(prm%Ntwin,prm%C66,structure(1:3),&
prm%Ndot0_twin = config_phase(p)%getFloats('ndot0_twin') config%getFloat('c/a',defaultVal=0.0_pReal))
if (.not. prm%fccTwinTransNucleation) then
prm%Ndot0_twin = config%getFloats('ndot0_twin')
prm%Ndot0_twin = math_expand(prm%Ndot0_twin,prm%Ntwin) prm%Ndot0_twin = math_expand(prm%Ndot0_twin,prm%Ntwin)
endif endif
@ -398,27 +400,42 @@ subroutine plastic_dislotwin_init(fileUnit)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! transformation related parameters ! transformation related parameters
prm%Ntrans = config_phase(p)%getInts('ntrans', defaultVal=emptyIntArray) prm%Ntrans = config%getInts('ntrans', defaultVal=emptyIntArray)
prm%totalNtrans = sum(prm%Ntrans) prm%totalNtrans = sum(prm%Ntrans)
if (prm%totalNtrans > 0_pInt) then if (prm%totalNtrans > 0_pInt) then
prm%burgers_trans = config_phase(p)%getFloats('transburgers') prm%burgers_trans = config%getFloats('transburgers')
prm%burgers_trans = math_expand(prm%burgers_trans,prm%Ntrans) prm%burgers_trans = math_expand(prm%burgers_trans,prm%Ntrans)
prm%Cthresholdtrans = config_phase(p)%getFloat('cthresholdtrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%Cthresholdtrans = config%getFloat('cthresholdtrans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%transStackHeight = config_phase(p)%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%transStackHeight = config%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%Cmfptrans = config_phase(p)%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%Cmfptrans = config%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%deltaG = config_phase(p)%getFloat('deltag') prm%deltaG = config%getFloat('deltag')
prm%xc_trans = config_phase(p)%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%L0_trans = config_phase(p)%getFloat('l0_trans') prm%L0_trans = config%getFloat('l0_trans')
prm%interaction_TransTrans = lattice_interaction_TransTrans(prm%Ntrans,&
config%getFloats('interaction_transtrans'), &
structure(1:3))
prm%C66_trans = lattice_C66_trans(prm%Ntrans,prm%C66, &
config%getString('trans_lattice_structure'), &
0.0_pReal, &
config%getFloat('a_bcc', defaultVal=0.0_pReal), &
config%getFloat('a_fcc', defaultVal=0.0_pReal))
prm%Schmid_trans = lattice_SchmidMatrix_trans(prm%Ntrans, &
config%getString('trans_lattice_structure'), &
0.0_pReal, &
config%getFloat('a_bcc', defaultVal=0.0_pReal), &
config%getFloat('a_fcc', defaultVal=0.0_pReal))
prm%interaction_TransTrans = spread(config_phase(p)%getFloats('interaction_transtrans'),2,1)
if (lattice_structure(p) /= LATTICE_fcc_ID) then if (lattice_structure(p) /= LATTICE_fcc_ID) then
prm%Ndot0_trans = config_phase(p)%getFloats('ndot0_trans') prm%Ndot0_trans = config%getFloats('ndot0_trans')
prm%Ndot0_trans = math_expand(prm%Ndot0_trans,prm%Ntrans) prm%Ndot0_trans = math_expand(prm%Ndot0_trans,prm%Ntrans)
endif endif
prm%lamellarsizePerTransSystem = config_phase(p)%getFloats('lamellarsize') prm%lamellarsizePerTransSystem = config%getFloats('lamellarsize')
prm%lamellarsizePerTransSystem = math_expand(prm%lamellarsizePerTransSystem,prm%Ntrans) prm%lamellarsizePerTransSystem = math_expand(prm%lamellarsizePerTransSystem,prm%Ntrans)
prm%s = config_phase(p)%getFloats('s_trans',defaultVal=[0.0_pReal]) prm%s = config%getFloats('s_trans',defaultVal=[0.0_pReal])
prm%s = math_expand(prm%s,prm%Ntrans) prm%s = math_expand(prm%s,prm%Ntrans)
else else
allocate(prm%lamellarsizePerTransSystem(0)) allocate(prm%lamellarsizePerTransSystem(0))
@ -426,45 +443,48 @@ subroutine plastic_dislotwin_init(fileUnit)
endif endif
if (sum(prm%Ntwin) > 0_pInt .or. prm%totalNtrans > 0_pInt) then if (sum(prm%Ntwin) > 0_pInt .or. prm%totalNtrans > 0_pInt) then
prm%SFE_0K = config_phase(p)%getFloat('sfe_0k') prm%SFE_0K = config%getFloat('sfe_0k')
prm%dSFE_dT = config_phase(p)%getFloat('dsfe_dt') prm%dSFE_dT = config%getFloat('dsfe_dt')
prm%VcrossSlip = config_phase(p)%getFloat('vcrossslip') prm%VcrossSlip = config%getFloat('vcrossslip')
endif endif
if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then
prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,& prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,&
config_phase(p)%getFloats('interaction_sliptwin'), & config%getFloats('interaction_sliptwin'), &
structure(1:3)) structure(1:3))
prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,& prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,&
config_phase(p)%getFloats('interaction_twinslip'), & config%getFloats('interaction_twinslip'), &
structure(1:3)) structure(1:3))
if (prm%fccTwinTransNucleation .and. prm%totalNtwin > 12_pInt) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntwin is [6,6]
endif endif
if (prm%totalNslip > 0_pInt .and. prm%totalNtrans > 0_pInt) then if (prm%totalNslip > 0_pInt .and. prm%totalNtrans > 0_pInt) then
prm%interaction_TransSlip = spread(config_phase(p)%getFloats('interaction_transslip'),2,1) prm%interaction_SlipTrans = lattice_interaction_SlipTrans(prm%Nslip,prm%Ntrans,&
prm%interaction_SlipTrans = spread(config_phase(p)%getFloats('interaction_sliptrans'),2,1) config%getFloats('interaction_sliptrans'), &
structure(1:3))
if (prm%fccTwinTransNucleation .and. prm%totalNtrans > 12_pInt) write(6,*) 'mist' ! ToDo: implement better test. The model will fail also if ntrans is [6,6]
endif endif
prm%aTolRho = config_phase(p)%getFloat('atol_rho', defaultVal=0.0_pReal) prm%aTolRho = config%getFloat('atol_rho', defaultVal=0.0_pReal)
prm%aTolTwinFrac = config_phase(p)%getFloat('atol_twinfrac', defaultVal=0.0_pReal) prm%aTolTwinFrac = config%getFloat('atol_twinfrac', defaultVal=0.0_pReal)
prm%aTolTransFrac = config_phase(p)%getFloat('atol_transfrac', defaultVal=0.0_pReal) prm%aTolTransFrac = config%getFloat('atol_transfrac', defaultVal=0.0_pReal)
prm%CAtomicVolume = config_phase(p)%getFloat('catomicvolume') prm%CAtomicVolume = config%getFloat('catomicvolume')
prm%GrainSize = config_phase(p)%getFloat('grainsize') prm%GrainSize = config%getFloat('grainsize')
prm%D0 = config_phase(p)%getFloat('d0') prm%D0 = config%getFloat('d0')
prm%Qsd = config_phase(p)%getFloat('qsd') prm%Qsd = config%getFloat('qsd')
prm%SolidSolutionStrength = config_phase(p)%getFloat('solidsolutionstrength') prm%SolidSolutionStrength = config%getFloat('solidsolutionstrength') ! Deprecated
if (config_phase(p)%keyExists('dipoleformationfactor')) call IO_error(1,ext_msg='use /nodipoleformation/') if (config%keyExists('dipoleformationfactor')) call IO_error(1,ext_msg='use /nodipoleformation/')
prm%dipoleformation = .not. config_phase(p)%keyExists('/nodipoleformation/') prm%dipoleformation = .not. config%keyExists('/nodipoleformation/')
prm%sbVelocity = config_phase(p)%getFloat('shearbandvelocity',defaultVal=0.0_pReal) prm%sbVelocity = config%getFloat('shearbandvelocity',defaultVal=0.0_pReal)
if (prm%sbVelocity > 0.0_pReal) then if (prm%sbVelocity > 0.0_pReal) then
prm%sbResistance = config_phase(p)%getFloat('shearbandresistance') prm%sbResistance = config%getFloat('shearbandresistance')
prm%sbQedge = config_phase(p)%getFloat('qedgepersbsystem') prm%sbQedge = config%getFloat('qedgepersbsystem')
prm%pShearBand = config_phase(p)%getFloat('p_shearband') prm%pShearBand = config%getFloat('p_shearband')
prm%qShearBand = config_phase(p)%getFloat('q_shearband') prm%qShearBand = config%getFloat('q_shearband')
endif endif
!if (Ndot0PerTwinFamily(f,p) < 0.0_pReal) & !if (Ndot0PerTwinFamily(f,p) < 0.0_pReal) &
@ -505,7 +525,7 @@ subroutine plastic_dislotwin_init(fileUnit)
prm%qShearBand <= 0.0_pReal) & prm%qShearBand <= 0.0_pReal) &
call IO_error(211_pInt,el=p,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') call IO_error(211_pInt,el=p,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')')
outputs = config_phase(p)%getStrings('(output)', defaultVal=emptyStringArray) outputs = config%getStrings('(output)', defaultVal=emptyStringArray)
allocate(prm%outputID(0)) allocate(prm%outputID(0))
do i= 1_pInt, size(outputs) do i= 1_pInt, size(outputs)
outputID = undefined_ID outputID = undefined_ID
@ -600,96 +620,6 @@ subroutine plastic_dislotwin_init(fileUnit)
plasticState(p)%accumulatedSlip => & plasticState(p)%accumulatedSlip => &
plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NipcMyPhase) plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NipcMyPhase)
allocate(temp1(prm%totalNslip,prm%totalNtrans),source =0.0_pReal)
allocate(prm%forestProjectionEdge(prm%totalNslip,prm%totalNslip),source = 0.0_pReal)
i = 0_pInt
mySlipFamilies: do f = 1_pInt,size(prm%Nslip,1)
index_myFamily = sum(prm%Nslip(1:f-1_pInt))
slipSystemsLoop: do j = 1_pInt,prm%Nslip(f)
i = i + 1_pInt
do o = 1_pInt, size(prm%Nslip,1)
index_otherFamily = sum(prm%Nslip(1:o-1_pInt))
do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip)
prm%forestProjectionEdge(index_myFamily+j,index_otherFamily+k) = &
abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,p))+j,p), &
lattice_st(:,sum(lattice_NslipSystem(1:o-1,p))+k,p)))
enddo; enddo
do o = 1_pInt,size(prm%Ntrans,1)
index_otherFamily = sum(prm%Ntrans(1:o-1_pInt))
do k = 1_pInt,prm%Ntrans(o) ! loop over (active) systems in other family (trans)
temp1(index_myFamily+j,index_otherFamily+k) = &
prm%interaction_SlipTrans(lattice_interactionSlipTrans( &
sum(lattice_NslipSystem(1:f-1_pInt,p))+j, &
sum(lattice_NtransSystem(1:o-1_pInt,p))+k, &
p),1 )
enddo; enddo
enddo slipSystemsLoop
enddo mySlipFamilies
prm%interaction_SlipTrans = temp1; deallocate(temp1)
allocate(prm%C66_twin(6,6,prm%totalNtwin), source=0.0_pReal)
if (lattice_structure(p) == LATTICE_fcc_ID) &
allocate(prm%fcc_twinNucleationSlipPair(2,prm%totalNtwin),source = 0_pInt)
allocate(prm%shear_twin(prm%totalNtwin),source = 0.0_pReal)
i = 0_pInt
twinFamiliesLoop: do f = 1_pInt, size(prm%Ntwin,1)
index_myFamily = sum(prm%Ntwin(1:f-1_pInt)) ! index in truncated twin system list
twinSystemsLoop: do j = 1_pInt,prm%Ntwin(f)
i = i + 1_pInt
prm%shear_twin(i) = lattice_shearTwin(sum(lattice_Ntwinsystem(1:f-1,p))+j,p)
if (lattice_structure(p) == LATTICE_fcc_ID) prm%fcc_twinNucleationSlipPair(1:2,i) = &
lattice_fcc_twinNucleationSlipPair(1:2,sum(lattice_Ntwinsystem(1:f-1,p))+j)
!* Rotate twin elasticity matrices
index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,p)) ! index in full lattice twin list
prm%C66_twin(1:6,1:6,index_myFamily+j) = &
math_Mandel3333to66(math_rotate_forward3333(lattice_C3333(1:3,1:3,1:3,1:3,p),&
lattice_Qtwin(1:3,1:3,index_otherFamily+j,p)))
enddo twinSystemsLoop
enddo twinFamiliesLoop
allocate(temp1(prm%totalNtrans,prm%totalNslip), source =0.0_pReal)
allocate(temp2(prm%totalNtrans,prm%totalNtrans), source =0.0_pReal)
allocate(prm%C66_trans(6,6,prm%totalNtrans) ,source=0.0_pReal)
allocate(prm%Schmid_trans(3,3,prm%totalNtrans),source = 0.0_pReal)
i = 0_pInt
transFamiliesLoop: do f = 1_pInt,size(prm%Ntrans,1)
index_myFamily = sum(prm%Ntrans(1:f-1_pInt)) ! index in truncated trans system list
transSystemsLoop: do j = 1_pInt,prm%Ntrans(f)
i = i + 1_pInt
prm%Schmid_trans(1:3,1:3,i) = lattice_Strans(1:3,1:3,sum(lattice_Ntranssystem(1:f-1,p))+j,p)
!* Rotate trans elasticity matrices
index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list
prm%C66_trans(1:6,1:6,index_myFamily+j) = &
math_Mandel3333to66(math_rotate_forward3333(lattice_trans_C3333(1:3,1:3,1:3,1:3,p),&
lattice_Qtrans(1:3,1:3,index_otherFamily+j,p)))
!* Interaction matrices
do o = 1_pInt,size(prm%Nslip,1)
index_otherFamily = sum(prm%Nslip(1:o-1_pInt))
do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip)
temp1(index_myFamily+j,index_otherFamily+k) = &
prm%interaction_TransSlip(lattice_interactionTransSlip( &
sum(lattice_NtransSystem(1:f-1_pInt,p))+j, &
sum(lattice_NslipSystem(1:o-1_pInt,p))+k, &
p) ,1 )
enddo; enddo
do o = 1_pInt,size(prm%Ntrans,1)
index_otherFamily = sum(prm%Ntrans(1:o-1_pInt))
do k = 1_pInt,prm%Ntrans(o) ! loop over (active) systems in other family (trans)
temp2(index_myFamily+j,index_otherFamily+k) = &
prm%interaction_TransTrans(lattice_interactionTransTrans( &
sum(lattice_NtransSystem(1:f-1_pInt,p))+j, &
sum(lattice_NtransSystem(1:o-1_pInt,p))+k, &
p),1 )
enddo; enddo
enddo transSystemsLoop
enddo transFamiliesLoop
prm%interaction_TransSlip = temp1; deallocate(temp1)
prm%interaction_TransTrans = temp2; deallocate(temp2)
startIndex=1_pInt startIndex=1_pInt
endIndex=prm%totalNslip endIndex=prm%totalNslip
@ -740,22 +670,20 @@ subroutine plastic_dislotwin_init(fileUnit)
allocate(mse%invLambdaSlip (prm%totalNslip, NipcMyPhase),source=0.0_pReal) allocate(mse%invLambdaSlip (prm%totalNslip, NipcMyPhase),source=0.0_pReal)
allocate(mse%invLambdaSlipTwin (prm%totalNslip, NipcMyPhase),source=0.0_pReal) allocate(mse%invLambdaSlipTwin (prm%totalNslip, NipcMyPhase),source=0.0_pReal)
allocate(mse%invLambdaTwin(prm%totalNtwin,NipcMyPhase),source=0.0_pReal) allocate(mse%invLambdaSlipTrans (prm%totalNslip, NipcMyPhase),source=0.0_pReal)
allocate(mse%invLambdaSlipTrans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
allocate(mse%invLambdaTrans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
allocate(mse%mfp_slip (prm%totalNslip, NipcMyPhase),source=0.0_pReal) allocate(mse%mfp_slip (prm%totalNslip, NipcMyPhase),source=0.0_pReal)
allocate(mse%mfp_twin(prm%totalNtwin,NipcMyPhase), source=0.0_pReal)
allocate(mse%mfp_trans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
allocate(mse%threshold_stress_slip (prm%totalNslip, NipcMyPhase),source=0.0_pReal) allocate(mse%threshold_stress_slip (prm%totalNslip, NipcMyPhase),source=0.0_pReal)
allocate(mse%invLambdaTwin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal)
allocate(mse%mfp_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal)
allocate(mse%threshold_stress_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) allocate(mse%threshold_stress_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal)
allocate(mse%threshold_stress_trans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
allocate(mse%tau_r_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) allocate(mse%tau_r_twin (prm%totalNtwin, NipcMyPhase),source=0.0_pReal)
allocate(mse%tau_r_trans(prm%totalNtrans,NipcMyPhase), source=0.0_pReal)
allocate(mse%twinVolume (prm%totalNtwin, NipcMyPhase),source=0.0_pReal) allocate(mse%twinVolume (prm%totalNtwin, NipcMyPhase),source=0.0_pReal)
allocate(mse%invLambdaTrans (prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
allocate(mse%mfp_trans (prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
allocate(mse%threshold_stress_trans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
allocate(mse%tau_r_trans (prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
allocate(mse%martensiteVolume (prm%totalNtrans,NipcMyPhase),source=0.0_pReal) allocate(mse%martensiteVolume (prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
end associate end associate
@ -779,8 +707,6 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el)
ipc, & !< component-ID of integration point ipc, & !< component-ID of integration point
ip, & !< integration point ip, & !< integration point
el !< element el !< element
type(tParameters) :: prm
type(tDislotwinState) :: stt
integer(pInt) :: i, & integer(pInt) :: i, &
of of
@ -838,10 +764,6 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
fOverStacksize, & fOverStacksize, &
ftransOverLamellarSize ftransOverLamellarSize
type(tParameters) :: prm !< parameters of present instance
type(tDislotwinState) :: stt !< state of present instance
type(tDislotwinMicrostructure) :: mse
of = phasememberAt(ipc,ip,el) of = phasememberAt(ipc,ip,el)
associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),& associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),&
@ -864,7 +786,7 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
forall (i = 1_pInt:prm%totalNslip) & forall (i = 1_pInt:prm%totalNslip) &
mse%invLambdaSlip(i,of) = & mse%invLambdaSlip(i,of) = &
sqrt(dot_product((stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of)),& sqrt(dot_product((stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of)),&
prm%forestProjectionEdge(1:prm%totalNslip,i)))/prm%CLambdaSlip(i) prm%forestProjection(1:prm%totalNslip,i)))/prm%CLambdaSlip(i)
!* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation
!$OMP CRITICAL (evilmatmul) !$OMP CRITICAL (evilmatmul)
@ -881,7 +803,7 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
!* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation
if (prm%totalNtrans > 0_pInt .and. prm%totalNslip > 0_pInt) & if (prm%totalNtrans > 0_pInt .and. prm%totalNslip > 0_pInt) &
mse%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = & mse%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = & ! ToDo: does not work if Ntrans is not 12
matmul(prm%interaction_SlipTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) matmul(prm%interaction_SlipTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans)
!* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans) !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans)
@ -953,10 +875,6 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance,
math_symmetric33, & math_symmetric33, &
math_mul33xx33, & math_mul33xx33, &
math_mul33x3 math_mul33x3
use material, only: &
material_phase, &
phase_plasticityInstance, &
phasememberAt
implicit none implicit none
real(pReal), dimension(3,3), intent(out) :: Lp real(pReal), dimension(3,3), intent(out) :: Lp
@ -999,9 +917,6 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance,
0, 1, 1 & 0, 1, 1 &
],pReal),[ 3,6]) ],pReal),[ 3,6])
type(tParameters) :: prm !< parameters of present instance
type(tDislotwinState) :: ste !< state of present instance
associate(prm => param(instance), stt => state(instance), mse => microstructure(instance)) associate(prm => param(instance), stt => state(instance), mse => microstructure(instance))
f_unrotated = 1.0_pReal & f_unrotated = 1.0_pReal &
@ -1068,7 +983,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance,
significantTransStress: if (tau > tol_math_check) then significantTransStress: if (tau > tol_math_check) then
StressRatio_s = (mse%threshold_stress_trans(i,of)/tau)**prm%s(i) StressRatio_s = (mse%threshold_stress_trans(i,of)/tau)**prm%s(i)
isFCCtrans: if (prm%isFCC) then isFCCtrans: if (prm%fccTwinTransNucleation) then
s1=prm%fcc_twinNucleationSlipPair(1,i) s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i) s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau < mse%tau_r_trans(i,of)) then if (tau < mse%tau_r_trans(i,of)) then
@ -1112,10 +1027,7 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of)
math_Mandel6to33, & math_Mandel6to33, &
pi pi
use material, only: & use material, only: &
material_phase, & plasticState
phase_plasticityInstance, &
plasticState, &
phasememberAt
implicit none implicit none
real(pReal), dimension(3,3), intent(in):: & real(pReal), dimension(3,3), intent(in):: &
@ -1135,12 +1047,6 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of)
real(pReal), dimension(plasticState(instance)%Nslip) :: & real(pReal), dimension(plasticState(instance)%Nslip) :: &
gdot_slip gdot_slip
type(tParameters) :: prm
type(tDislotwinState) :: stt, dot
type(tDislotwinMicrostructure) :: mse
associate(prm => param(instance), stt => state(instance), & associate(prm => param(instance), stt => state(instance), &
dot => dotstate(instance), mse => microstructure(instance)) dot => dotstate(instance), mse => microstructure(instance))
@ -1206,7 +1112,7 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of)
significantTwinStress: if (tau > tol_math_check) then significantTwinStress: if (tau > tol_math_check) then
StressRatio_r = (mse%threshold_stress_twin(i,of)/tau)**prm%r(i) StressRatio_r = (mse%threshold_stress_twin(i,of)/tau)**prm%r(i)
isFCCtwin: if (prm%isFCC) then isFCCtwin: if (prm%fccTwinTransNucleation) then
s1=prm%fcc_twinNucleationSlipPair(1,i) s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i) s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau < mse%tau_r_twin(i,of)) then if (tau < mse%tau_r_twin(i,of)) then
@ -1232,7 +1138,7 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of)
significantTransStress: if (tau > tol_math_check) then significantTransStress: if (tau > tol_math_check) then
StressRatio_s = (mse%threshold_stress_trans(i,of)/tau)**prm%s(i) StressRatio_s = (mse%threshold_stress_trans(i,of)/tau)**prm%s(i)
isFCCtrans: if (prm%isFCC) then isFCCtrans: if (prm%fccTwinTransNucleation) then
s1=prm%fcc_twinNucleationSlipPair(1,i) s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i) s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau < mse%tau_r_trans(i,of)) then if (tau < mse%tau_r_trans(i,of)) then
@ -1375,7 +1281,7 @@ pure subroutine kinetics_twin(prm,stt,mse,of,Mp,temperature,gdot_slip,gdot_twin,
do i = 1_pInt, prm%totalNtwin do i = 1_pInt, prm%totalNtwin
tau(i) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,i)) tau(i) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,i))
isFCC: if (prm%isFCC) then isFCC: if (prm%fccTwinTransNucleation) then
s1=prm%fcc_twinNucleationSlipPair(1,i) s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i) s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau(i) < mse%tau_r_twin(i,of)) then if (tau(i) < mse%tau_r_twin(i,of)) then
@ -1447,7 +1353,7 @@ pure subroutine kinetics_trans(prm,stt,mse,of,Mp,temperature,gdot_slip,gdot_tran
do i = 1_pInt, prm%totalNtrans do i = 1_pInt, prm%totalNtrans
tau(i) = math_mul33xx33(Mp,prm%Schmid_trans(1:3,1:3,i)) tau(i) = math_mul33xx33(Mp,prm%Schmid_trans(1:3,1:3,i))
isFCC: if (prm%isFCC) then isFCC: if (prm%fccTwinTransNucleation) then
s1=prm%fcc_twinNucleationSlipPair(1,i) s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i) s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau(i) < mse%tau_r_trans(i,of)) then if (tau(i) < mse%tau_r_trans(i,of)) then
@ -1500,11 +1406,6 @@ function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postRe
PI, & PI, &
math_mul33xx33, & math_mul33xx33, &
math_Mandel6to33 math_Mandel6to33
use material, only: &
material_phase, &
plasticState, &
phase_plasticityInstance,&
phasememberAt
implicit none implicit none
real(pReal), dimension(3,3),intent(in) :: & real(pReal), dimension(3,3),intent(in) :: &
@ -1622,7 +1523,7 @@ function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postRe
tau = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,j)) tau = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,j))
if ( tau > 0.0_pReal ) then if ( tau > 0.0_pReal ) then
isFCCtwin: if (prm%isFCC) then isFCCtwin: if (prm%fccTwinTransNucleation) then
s1=prm%fcc_twinNucleationSlipPair(1,j) s1=prm%fcc_twinNucleationSlipPair(1,j)
s2=prm%fcc_twinNucleationSlipPair(2,j) s2=prm%fcc_twinNucleationSlipPair(2,j)
if (tau < mse%tau_r_twin(j,of)) then if (tau < mse%tau_r_twin(j,of)) then