DAMASK_EICMD/src/plastic_dislotwin.f90

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!--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @author Su Leen Wong, Max-Planck-Institut für Eisenforschung GmbH
!> @author Nan Jia, Max-Planck-Institut für Eisenforschung GmbH
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief material subroutine incoprorating dislocation and twinning physics
!> @details to be done
!--------------------------------------------------------------------------------------------------
module plastic_dislotwin
use prec, only: &
pReal, &
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pInt
implicit none
private
integer(pInt), dimension(:,:), allocatable, target, public :: &
plastic_dislotwin_sizePostResult !< size of each post result output
character(len=64), dimension(:,:), allocatable, target, public :: &
plastic_dislotwin_output !< name of each post result output
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real(pReal), parameter, private :: &
kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
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enum, bind(c)
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enumerator :: &
undefined_ID, &
edge_density_ID, &
dipole_density_ID, &
shear_rate_slip_ID, &
accumulated_shear_slip_ID, &
mfp_slip_ID, &
resolved_stress_slip_ID, &
threshold_stress_slip_ID, &
edge_dipole_distance_ID, &
stress_exponent_ID, &
twin_fraction_ID, &
shear_rate_twin_ID, &
accumulated_shear_twin_ID, &
mfp_twin_ID, &
resolved_stress_twin_ID, &
threshold_stress_twin_ID, &
resolved_stress_shearband_ID, &
shear_rate_shearband_ID, &
stress_trans_fraction_ID, &
strain_trans_fraction_ID
end enum
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type, private :: tParameters
real(pReal) :: &
mu, &
nu, &
CAtomicVolume, & !< atomic volume in Bugers vector unit
D0, & !< prefactor for self-diffusion coefficient
Qsd, & !< activation energy for dislocation climb
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GrainSize, & !<grain size
pShearBand, & !< p-exponent in shear band velocity
qShearBand, & !< q-exponent in shear band velocity
MaxTwinFraction, & !<max allowed total twin volume fraction
CEdgeDipMinDistance, & !<
Cmfptwin, & !<
Cthresholdtwin, & !<
SolidSolutionStrength, & !<strength due to elements in solid solution
L0_twin, & !< Length of twin nuclei in Burgers vectors
L0_trans, & !< Length of trans nuclei in Burgers vectors
xc_twin, & !< critical distance for formation of twin nucleus
xc_trans, & !< critical distance for formation of trans nucleus
VcrossSlip, & !< cross slip volume
sbResistance, & !< value for shearband resistance (might become an internal state variable at some point)
sbVelocity, & !< value for shearband velocity_0
sbQedge, & !< value for shearband systems Qedge
SFE_0K, & !< stacking fault energy at zero K
dSFE_dT, & !< temperature dependance of stacking fault energy
aTolRho, & !< absolute tolerance for integration of dislocation density
aTolTwinFrac, & !< absolute tolerance for integration of twin volume fraction
aTolTransFrac, & !< absolute tolerance for integration of trans volume fraction
deltaG, & !< Free energy difference between austensite and martensite
Cmfptrans, & !<
Cthresholdtrans, & !<
transStackHeight !< Stack height of hex nucleus
real(pReal), dimension(:), allocatable :: &
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rho0, & !< initial unipolar dislocation density per slip system
rhoDip0, & !< initial dipole dislocation density per slip system
burgers_slip, & !< absolute length of burgers vector [m] for each slip system
burgers_twin, & !< absolute length of burgers vector [m] for each slip system
burgers_trans, & !< absolute length of burgers vector [m] for each twin system
Qedge,& !< activation energy for glide [J] for each slip system
v0, & !< dislocation velocity prefactor [m/s] for each slip system
tau_peierls,& !< Peierls stress [Pa] for each slip system
Ndot0_twin, & !< twin nucleation rate [1/m³s] for each twin system
Ndot0_trans, & !< trans nucleation rate [1/m³s] for each trans system
twinsize, & !< twin thickness [m] for each twin system
CLambdaSlip, & !< Adj. parameter for distance between 2 forest dislocations for each slip system
lamellarsizePerTransSystem, & !< martensite lamellar thickness [m] for each trans system and instance
p, & !< p-exponent in glide velocity
q, & !< q-exponent in glide velocity
r, & !< r-exponent in twin nucleation rate
s, & !< s-exponent in trans nucleation rate
shear_twin, & !< characteristic shear for twins
B !< drag coefficient
real(pReal), dimension(:,:), allocatable :: &
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interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type
interaction_SlipTwin, & !< coefficients for slip-twin 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_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
integer(pInt), dimension(:,:), allocatable :: &
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fcc_twinNucleationSlipPair
real(pReal), dimension(:,:), allocatable :: &
forestProjectionEdge, &
C66
real(pReal), dimension(:,:,:), allocatable :: &
Schmid_trans, &
Schmid_slip, &
Schmid_twin, &
C66_twin, &
C66_trans
logical :: &
dipoleFormation !< flag indicating consideration of dipole formation
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integer(kind(undefined_ID)), dimension(:), allocatable :: &
outputID !< ID of each post result output
logical :: &
isFCC !< twinning and transformation models are for fcc
integer(pInt) :: &
totalNslip, & !< number of active slip systems for each family and instance
totalNtwin, & !< number of active twin systems for each family and instance
totalNtrans !< number of active transformation systems for each family and instance
integer(pInt), dimension(:), allocatable :: &
Nslip, & !< number of active slip systems for each family and instance
Ntwin, & !< number of active twin systems for each family and instance
Ntrans !< number of active transformation systems for each family and instance
end type
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance)
type, private :: tDislotwinState
real(pReal), pointer, dimension(:,:) :: &
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rhoEdge, &
rhoEdgeDip, &
accshear_slip, &
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twinFraction, &
accshear_twin, &
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stressTransFraction, &
strainTransFraction, &
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whole
end type tDislotwinState
type, private :: tDislotwinMicrostructure
real(pReal), allocatable, dimension(:,:) :: &
invLambdaSlip, &
invLambdaSlipTwin, &
invLambdaTwin, &
invLambdaSlipTrans, &
invLambdaTrans, &
mfp_slip, &
mfp_twin, &
mfp_trans, &
threshold_stress_slip, &
threshold_stress_twin, &
threshold_stress_trans, &
twinVolume, &
martensiteVolume, &
tau_r_twin, & !< stress to bring partial close together for each twin system and instance
tau_r_trans !< stress to bring partial close together for each trans system and instance
end type tDislotwinMicrostructure
type(tDislotwinState), allocatable, dimension(:), private :: &
state, &
dotState
type(tDislotwinMicrostructure), allocatable, dimension(:), private :: &
microstructure
public :: &
plastic_dislotwin_init, &
plastic_dislotwin_homogenizedC, &
plastic_dislotwin_microstructure, &
plastic_dislotwin_LpAndItsTangent, &
plastic_dislotwin_dotState, &
plastic_dislotwin_postResults
contains
!--------------------------------------------------------------------------------------------------
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_init(fileUnit)
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use prec, only: &
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pStringLen, &
dEq0, &
dNeq0, &
dNeq
use debug, only: &
debug_level,&
debug_constitutive,&
debug_levelBasic
use math, only: &
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math_rotate_forward3333, &
math_Mandel3333to66, &
math_Voigt66to3333, &
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math_mul3x3, &
math_expand,&
PI
use IO, only: &
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IO_warning, &
IO_error, &
IO_timeStamp
use material, only: &
homogenization_maxNgrains, &
phase_plasticity, &
phase_plasticityInstance, &
phase_Noutput, &
PLASTICITY_DISLOTWIN_label, &
PLASTICITY_DISLOTWIN_ID, &
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material_phase, &
plasticState
use config, only: &
MATERIAL_partPhase, &
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config_phase
use lattice
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use numerics,only: &
numerics_integrator
implicit none
integer(pInt), intent(in) :: fileUnit
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integer(pInt) :: Ninstance,&
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f,j,i,k,l,o,p, &
offset_slip, index_myFamily, index_otherFamily, &
startIndex, endIndex, outputSize
integer(pInt) :: sizeState, sizeDotState, sizeDeltaState
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integer(pInt) :: NipcMyPhase
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real(pReal), dimension(3,3,3,3) :: &
temp3333
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real(pReal), allocatable, dimension(:) :: &
invLambdaSlip0,&
tauSlipThreshold0,&
TwinVolume0,&
MartensiteVolume0
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real(pReal), allocatable, dimension(:,:) :: temp1,temp2,temp3
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integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::]
real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::]
character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::]
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type(tParameters) :: &
prm
type(tDislotwinState) :: &
stt, &
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dot
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type(tDislotwinMicrostructure) :: &
mse
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integer(kind(undefined_ID)) :: &
outputID !< ID of each post result output
character(len=pStringLen) :: &
structure = '',&
extmsg = ''
character(len=65536), dimension(:), allocatable :: &
outputs
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>'
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write(6,'(/,a)') ' A. Ma and F. Roters, Acta Materialia, 52(12):36033612, 2004'
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write(6,'(a)') ' https://doi.org/10.1016/j.actamat.2004.04.012'
write(6,'(/,a)') ' F.Roters et al., Computational Materials Science, 39:9195, 2007'
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write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2006.04.014'
write(6,'(/,a)') ' Wong et al., Acta Materialia, 118:140151, 2016'
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write(6,'(a,/)') ' https://doi.org/10.1016/j.actamat.2016.07.032'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
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Ninstance = int(count(phase_plasticity == PLASTICITY_DISLOTWIN_ID),pInt)
if (Ninstance == 0_pInt) return
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) &
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write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
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allocate(plastic_dislotwin_sizePostResult(maxval(phase_Noutput),Ninstance),source=0_pInt)
allocate(plastic_dislotwin_output(maxval(phase_Noutput),Ninstance))
plastic_dislotwin_output = ''
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allocate(param(Ninstance))
allocate(state(Ninstance))
allocate(dotState(Ninstance))
allocate(microstructure(Ninstance))
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do p = 1_pInt, size(phase_plasticityInstance)
if (phase_plasticity(p) /= PLASTICITY_DISLOTWIN_ID) cycle
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associate(prm => param(phase_plasticityInstance(p)), &
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dot => dotState(phase_plasticityInstance(p)), &
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stt => state(phase_plasticityInstance(p)), &
mse => microstructure(phase_plasticityInstance(p)))
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! This data is read in already in lattice
prm%isFCC = merge(.true., .false., lattice_structure(p) == LATTICE_FCC_ID)
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prm%mu = lattice_mu(p)
prm%nu = lattice_nu(p)
prm%C66 = lattice_C66(1:6,1:6,p)
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structure = config_phase(p)%getString('lattice_structure')
!--------------------------------------------------------------------------------------------------
! slip related parameters
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prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyIntArray)
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prm%totalNslip = sum(prm%Nslip)
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slipActive: if (prm%totalNslip > 0_pInt) then
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prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),&
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal))
prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, &
config_phase(p)%getFloats('interaction_slipslip'), &
structure(1:3))
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prm%rho0 = config_phase(p)%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%v0 = config_phase(p)%getFloats('v0', requiredShape=shape(prm%Nslip))
prm%burgers_slip = config_phase(p)%getFloats('slipburgers',requiredShape=shape(prm%Nslip))
prm%Qedge = config_phase(p)%getFloats('qedge', requiredShape=shape(prm%Nslip)) !ToDo: rename (ask Karo)
prm%CLambdaSlip = config_phase(p)%getFloats('clambdaslip',requiredShape=shape(prm%Nslip))
prm%p = config_phase(p)%getFloats('p_slip', requiredShape=shape(prm%Nslip))
prm%q = config_phase(p)%getFloats('q_slip', requiredShape=shape(prm%Nslip))
prm%B = config_phase(p)%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))])
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prm%CEdgeDipMinDistance = config_phase(p)%getFloat('cedgedipmindistance')
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! expand: family => system
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prm%rho0 = math_expand(prm%rho0, prm%Nslip)
prm%rhoDip0 = math_expand(prm%rhoDip0, prm%Nslip)
prm%v0 = math_expand(prm%v0, prm%Nslip)
prm%burgers_slip = math_expand(prm%burgers_slip,prm%Nslip)
prm%Qedge = math_expand(prm%Qedge, prm%Nslip)
prm%CLambdaSlip = math_expand(prm%CLambdaSlip, prm%Nslip)
prm%p = math_expand(prm%p, prm%Nslip)
prm%q = math_expand(prm%q, prm%Nslip)
prm%B = math_expand(prm%B, prm%Nslip)
prm%tau_peierls = math_expand(prm%tau_peierls, prm%Nslip)
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! sanity checks
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if (any(prm%rho0 < 0.0_pReal)) extmsg = trim(extmsg)//'rho0 '
if (any(prm%rhoDip0 < 0.0_pReal)) extmsg = trim(extmsg)//'rhoDip0 '
if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//'v0 '
if (any(prm%burgers_slip <= 0.0_pReal)) extmsg = trim(extmsg)//'burgers_slip '
if (any(prm%Qedge <= 0.0_pReal)) extmsg = trim(extmsg)//'Qedge '
if (any(prm%CLambdaSlip <= 0.0_pReal)) extmsg = trim(extmsg)//'CLambdaSlip '
if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//'B '
if (any(prm%tau_peierls < 0.0_pReal)) extmsg = trim(extmsg)//'tau_peierls '
if (any(prm%p<=0.0_pReal .or. prm%p>1.0_pReal)) extmsg = trim(extmsg)//'p '
if (any(prm%q< 1.0_pReal .or. prm%q>2.0_pReal)) extmsg = trim(extmsg)//'q '
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else slipActive
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allocate(prm%burgers_slip(0))
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endif slipActive
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!--------------------------------------------------------------------------------------------------
! twin related parameters
prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyIntArray)
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prm%totalNtwin = sum(prm%Ntwin)
if (prm%totalNtwin > 0_pInt) then
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prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,structure(1:3),&
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal))
prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,&
config_phase(p)%getFloats('interaction_twintwin'), &
structure(1:3))
prm%burgers_twin = config_phase(p)%getFloats('twinburgers')
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prm%twinsize = config_phase(p)%getFloats('twinsize')
prm%r = config_phase(p)%getFloats('r_twin')
prm%xc_twin = config_phase(p)%getFloat('xc_twin')
prm%L0_twin = config_phase(p)%getFloat('l0_twin')
prm%MaxTwinFraction = config_phase(p)%getFloat('maxtwinfraction') ! ToDo: only used in postResults
prm%Cthresholdtwin = config_phase(p)%getFloat('cthresholdtwin', defaultVal=0.0_pReal)
prm%Cmfptwin = config_phase(p)%getFloat('cmfptwin', defaultVal=0.0_pReal) ! ToDo: How to handle that???
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if (.not. prm%isFCC) then
prm%Ndot0_twin = config_phase(p)%getFloats('ndot0_twin')
prm%Ndot0_twin = math_expand(prm%Ndot0_twin,prm%Ntwin)
endif
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! expand: family => system
prm%burgers_twin = math_expand(prm%burgers_twin,prm%Ntwin)
prm%twinsize = math_expand(prm%twinsize,prm%Ntwin)
prm%r = math_expand(prm%r,prm%Ntwin)
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else
allocate(prm%twinsize(0))
allocate(prm%burgers_twin(0))
allocate(prm%r(0))
endif
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prm%Ntrans = config_phase(p)%getInts('ntrans', defaultVal=emptyIntArray)
prm%totalNtrans = sum(prm%Ntrans)
if (prm%totalNtrans > 0_pInt) then
prm%burgers_trans = config_phase(p)%getFloats('transburgers')
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%transStackHeight = config_phase(p)%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%deltaG = config_phase(p)%getFloat('deltag')
prm%xc_trans = config_phase(p)%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%L0_trans = config_phase(p)%getFloat('l0_trans')
prm%interaction_TransTrans = spread(config_phase(p)%getFloats('interaction_transtrans'),2,1)
if (lattice_structure(p) /= LATTICE_fcc_ID) then
prm%Ndot0_trans = config_phase(p)%getFloats('ndot0_trans')
prm%Ndot0_trans = math_expand(prm%Ndot0_trans,prm%Ntrans)
endif
prm%lamellarsizePerTransSystem = config_phase(p)%getFloats('lamellarsize')
prm%lamellarsizePerTransSystem = math_expand(prm%lamellarsizePerTransSystem,prm%Ntrans)
prm%s = config_phase(p)%getFloats('s_trans',defaultVal=[0.0_pReal])
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prm%s = math_expand(prm%s,prm%Ntrans)
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else
allocate(prm%lamellarsizePerTransSystem(0))
allocate(prm%burgers_trans(0))
endif
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if (sum(prm%Ntwin) > 0_pInt .or. prm%totalNtrans > 0_pInt) then
prm%SFE_0K = config_phase(p)%getFloat('sfe_0k')
prm%dSFE_dT = config_phase(p)%getFloat('dsfe_dt')
prm%VcrossSlip = config_phase(p)%getFloat('vcrossslip')
endif
if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then
prm%interaction_SlipTwin = spread(config_phase(p)%getFloats('interaction_sliptwin'),2,1)
prm%interaction_TwinSlip = spread(config_phase(p)%getFloats('interaction_twinslip'),2,1)
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prm%p = math_expand(prm%p,prm%Nslip)
prm%q = math_expand(prm%q,prm%Nslip)
prm%tau_peierls = math_expand(prm%tau_peierls,prm%Nslip)
endif
if (prm%totalNslip > 0_pInt .and. prm%totalNtrans > 0_pInt) then
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prm%interaction_TransSlip = spread(config_phase(p)%getFloats('interaction_transslip'),2,1)
prm%interaction_SlipTrans = spread(config_phase(p)%getFloats('interaction_sliptrans'),2,1)
endif
prm%aTolRho = config_phase(p)%getFloat('atol_rho', defaultVal=0.0_pReal)
prm%aTolTwinFrac = config_phase(p)%getFloat('atol_twinfrac', defaultVal=0.0_pReal)
prm%aTolTransFrac = config_phase(p)%getFloat('atol_transfrac', defaultVal=0.0_pReal)
prm%CAtomicVolume = config_phase(p)%getFloat('catomicvolume')
prm%GrainSize = config_phase(p)%getFloat('grainsize')
prm%D0 = config_phase(p)%getFloat('d0')
prm%Qsd = config_phase(p)%getFloat('qsd')
prm%SolidSolutionStrength = config_phase(p)%getFloat('solidsolutionstrength')
if (config_phase(p)%keyExists('dipoleformationfactor')) call IO_error(1,ext_msg='use /nodipoleformation/')
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prm%dipoleformation = .not. config_phase(p)%keyExists('/nodipoleformation/')
prm%sbVelocity = config_phase(p)%getFloat('shearbandvelocity',defaultVal=0.0_pReal)
if (prm%sbVelocity > 0.0_pReal) then
prm%sbResistance = config_phase(p)%getFloat('shearbandresistance')
prm%sbQedge = config_phase(p)%getFloat('qedgepersbsystem')
prm%pShearBand = config_phase(p)%getFloat('p_shearband')
prm%qShearBand = config_phase(p)%getFloat('q_shearband')
endif
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outputs = config_phase(p)%getStrings('(output)', defaultVal=emptyStringArray)
allocate(prm%outputID(0))
do i= 1_pInt, size(outputs)
outputID = undefined_ID
select case(outputs(i))
case ('edge_density')
outputID = merge(edge_density_ID,undefined_ID,prm%totalNslip > 0_pInt)
outputSize = prm%totalNslip
case ('dipole_density')
outputID = merge(dipole_density_ID,undefined_ID,prm%totalNslip > 0_pInt)
outputSize = prm%totalNslip
case ('shear_rate_slip','shearrate_slip')
outputID = merge(shear_rate_slip_ID,undefined_ID,prm%totalNslip > 0_pInt)
outputSize = prm%totalNslip
case ('accumulated_shear_slip')
outputID = merge(accumulated_shear_slip_ID,undefined_ID,prm%totalNslip > 0_pInt)
outputSize = prm%totalNslip
case ('mfp_slip')
outputID = merge(mfp_slip_ID,undefined_ID,prm%totalNslip > 0_pInt)
outputSize = prm%totalNslip
case ('resolved_stress_slip')
outputID = merge(resolved_stress_slip_ID,undefined_ID,prm%totalNslip > 0_pInt)
outputSize = prm%totalNslip
case ('threshold_stress_slip')
outputID= merge(threshold_stress_slip_ID,undefined_ID,prm%totalNslip > 0_pInt)
outputSize = prm%totalNslip
case ('edge_dipole_distance')
outputID = merge(edge_dipole_distance_ID,undefined_ID,prm%totalNslip > 0_pInt)
outputSize = prm%totalNslip
case ('stress_exponent')
outputID = merge(stress_exponent_ID,undefined_ID,prm%totalNslip > 0_pInt)
outputSize = prm%totalNslip
case ('twin_fraction')
outputID = merge(twin_fraction_ID,undefined_ID,prm%totalNtwin >0_pInt)
outputSize = prm%totalNtwin
case ('shear_rate_twin','shearrate_twin')
outputID = merge(shear_rate_twin_ID,undefined_ID,prm%totalNtwin >0_pInt)
outputSize = prm%totalNtwin
case ('accumulated_shear_twin')
outputID = merge(accumulated_shear_twin_ID,undefined_ID,prm%totalNtwin >0_pInt)
outputSize = prm%totalNtwin
case ('mfp_twin')
outputID = merge(mfp_twin_ID,undefined_ID,prm%totalNtwin >0_pInt)
outputSize = prm%totalNtwin
case ('resolved_stress_twin')
outputID = merge(resolved_stress_twin_ID,undefined_ID,prm%totalNtwin >0_pInt)
outputSize = prm%totalNtwin
case ('threshold_stress_twin')
outputID = merge(threshold_stress_twin_ID,undefined_ID,prm%totalNtwin >0_pInt)
outputSize = prm%totalNtwin
case ('resolved_stress_shearband')
outputID = resolved_stress_shearband_ID
outputSize = 6_pInt
case ('shear_rate_shearband','shearrate_shearband')
outputID = shear_rate_shearband_ID
outputSize = 6_pInt
case ('stress_trans_fraction')
outputID = stress_trans_fraction_ID
outputSize = prm%totalNtrans
case ('strain_trans_fraction')
outputID = strain_trans_fraction_ID
outputSize = prm%totalNtrans
end select
if (outputID /= undefined_ID) then
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plastic_dislotwin_output(i,phase_plasticityInstance(p)) = outputs(i)
plastic_dislotwin_sizePostResult(i,phase_plasticityInstance(p)) = outputSize
prm%outputID = [prm%outputID, outputID]
endif
enddo
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do f = 1_pInt,lattice_maxNtwinFamily
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!if (Ndot0PerTwinFamily(f,p) < 0.0_pReal) &
! call IO_error(211_pInt,el=p,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')')
enddo
if (prm%CAtomicVolume <= 0.0_pReal) &
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call IO_error(211_pInt,el=p,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')')
if (prm%D0 <= 0.0_pReal) &
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call IO_error(211_pInt,el=p,ext_msg='D0 ('//PLASTICITY_DISLOTWIN_label//')')
if (prm%Qsd <= 0.0_pReal) &
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call IO_error(211_pInt,el=p,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')')
if (prm%totalNtwin > 0_pInt) then
if (dEq0(prm%SFE_0K) .and. &
dEq0(prm%dSFE_dT) .and. &
lattice_structure(p) == LATTICE_fcc_ID) &
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call IO_error(211_pInt,el=p,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')')
if (prm%aTolRho <= 0.0_pReal) &
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call IO_error(211_pInt,el=p,ext_msg='aTolRho ('//PLASTICITY_DISLOTWIN_label//')')
if (prm%aTolTwinFrac <= 0.0_pReal) &
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call IO_error(211_pInt,el=p,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')')
endif
if (prm%totalNtrans > 0_pInt) then
if (dEq0(prm%SFE_0K) .and. &
dEq0(prm%dSFE_dT) .and. &
lattice_structure(p) == LATTICE_fcc_ID) &
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call IO_error(211_pInt,el=p,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')')
if (prm%aTolTransFrac <= 0.0_pReal) &
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call IO_error(211_pInt,el=p,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')')
endif
!if (prm%sbResistance < 0.0_pReal) &
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! call IO_error(211_pInt,el=p,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')')
!if (prm%sbVelocity < 0.0_pReal) &
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! call IO_error(211_pInt,el=p,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')')
!if (prm%sbVelocity > 0.0_pReal .and. &
! prm%pShearBand <= 0.0_pReal) &
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! call IO_error(211_pInt,el=p,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')')
if (prm%sbVelocity > 0.0_pReal .and. &
prm%qShearBand <= 0.0_pReal) &
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call IO_error(211_pInt,el=p,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')')
!--------------------------------------------------------------------------------------------------
! allocate state arrays
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NipcMyPhase=count(material_phase==p)
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sizeDotState = int(size(['rho ','rhoDip ','accshearslip']),pInt) * prm%totalNslip &
+ int(size(['twinFraction','accsheartwin']),pInt) * prm%totalNtwin &
+ int(size(['stressTransFraction','strainTransFraction']),pInt) * prm%totalNtrans
sizeDeltaState = 0_pInt
sizeState = sizeDotState + sizeDeltaState
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plasticState(p)%sizeState = sizeDotState
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plasticState(p)%sizeDotState = sizeDotState
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plasticState(p)%sizePostResults = sum(plastic_dislotwin_sizePostResult(:,phase_plasticityInstance(p)))
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plasticState(p)%nSlip = prm%totalNslip
plasticState(p)%nTwin = prm%totalNtwin
plasticState(p)%nTrans= prm%totalNtrans
allocate(plasticState(p)%aTolState (sizeState), source=0.0_pReal)
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allocate(plasticState(p)%state0 (sizeState,NipcMyPhase), source=0.0_pReal)
allocate(plasticState(p)%partionedState0 (sizeState,NipcMyPhase), source=0.0_pReal)
allocate(plasticState(p)%subState0 (sizeState,NipcMyPhase), source=0.0_pReal)
allocate(plasticState(p)%state (sizeState,NipcMyPhase), source=0.0_pReal)
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allocate(plasticState(p)%dotState (sizeDotState,NipcMyPhase), source=0.0_pReal)
allocate(plasticState(p)%deltaState (sizeDeltaState,NipcMyPhase), source=0.0_pReal)
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if (any(numerics_integrator == 1_pInt)) then
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allocate(plasticState(p)%previousDotState (sizeDotState,NipcMyPhase), source=0.0_pReal)
allocate(plasticState(p)%previousDotState2 (sizeDotState,NipcMyPhase), source=0.0_pReal)
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endif
if (any(numerics_integrator == 4_pInt)) &
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allocate(plasticState(p)%RK4dotState (sizeDotState,NipcMyPhase), source=0.0_pReal)
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if (any(numerics_integrator == 5_pInt)) &
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allocate(plasticState(p)%RKCK45dotState (6,sizeDotState,NipcMyPhase),source=0.0_pReal)
! ToDo: do later on
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offset_slip = 2_pInt*plasticState(p)%nslip
plasticState(p)%slipRate => &
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plasticState(p)%dotState(offset_slip+1:offset_slip+plasticState(p)%nslip,1:NipcMyPhase)
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plasticState(p)%accumulatedSlip => &
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plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NipcMyPhase)
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allocate(temp2(prm%totalNslip,prm%totalNtwin), source =0.0_pReal)
allocate(temp3(prm%totalNslip,prm%totalNtrans),source =0.0_pReal)
allocate(prm%forestProjectionEdge(prm%totalNslip,prm%totalNslip),source = 0.0_pReal)
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i = 0_pInt
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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)
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i = i + 1_pInt
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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) = &
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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
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do o = 1_pInt,size(prm%Ntwin,1)
index_otherFamily = sum(prm%Ntwin(1:o-1_pInt))
do k = 1_pInt,prm%Ntwin(o) ! loop over (active) systems in other family (twin)
temp2(index_myFamily+j,index_otherFamily+k) = &
prm%interaction_SlipTwin(lattice_interactionSlipTwin( &
sum(lattice_NslipSystem(1:f-1_pInt,p))+j, &
sum(lattice_NtwinSystem(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)
temp3(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
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enddo slipSystemsLoop
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enddo mySlipFamilies
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prm%interaction_SlipTwin = temp2; deallocate(temp2)
prm%interaction_SlipTrans = temp3; deallocate(temp3)
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allocate(temp1(prm%totalNtwin,prm%totalNslip), source =0.0_pReal)
allocate(prm%C66_twin(6,6,prm%totalNtwin), source=0.0_pReal)
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if (lattice_structure(p) == LATTICE_fcc_ID) &
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allocate(prm%fcc_twinNucleationSlipPair(2,prm%totalNtwin),source = 0_pInt)
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allocate(prm%shear_twin(prm%totalNtwin),source = 0.0_pReal)
i = 0_pInt
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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)
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i = i + 1_pInt
prm%shear_twin(i) = lattice_shearTwin(sum(lattice_Ntwinsystem(1:f-1,p))+j,p)
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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)
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!* Rotate twin elasticity matrices
index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,p)) ! index in full lattice twin list
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temp3333 = math_rotate_forward3333(lattice_C3333(1:3,1:3,1:3,1:3,p),&
lattice_Qtwin(1:3,1:3,index_otherFamily+j,p))
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prm%C66_twin(1:6,1:6,index_myFamily+j) = math_Mandel3333to66(temp3333)
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!* 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_TwinSlip(lattice_interactionTwinSlip( &
sum(lattice_NtwinSystem(1:f-1_pInt,p))+j, &
sum(lattice_NslipSystem(1:o-1_pInt,p))+k, &
p),1 )
enddo; enddo
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enddo twinSystemsLoop
enddo twinFamiliesLoop
prm%interaction_TwinSlip = temp1; deallocate(temp1)
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allocate(temp1(prm%totalNtrans,prm%totalNslip), source =0.0_pReal)
allocate(temp2(prm%totalNtrans,prm%totalNtrans), source =0.0_pReal)
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allocate(prm%C66_trans(6,6,prm%totalNtrans) ,source=0.0_pReal)
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allocate(prm%Schmid_trans(3,3,prm%totalNtrans),source = 0.0_pReal)
i = 0_pInt
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transFamiliesLoop: do f = 1_pInt,size(prm%Ntrans,1)
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index_myFamily = sum(prm%Ntrans(1:f-1_pInt)) ! index in truncated trans system list
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transSystemsLoop: do j = 1_pInt,prm%Ntrans(f)
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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)
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!* Rotate trans elasticity matrices
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index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list
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temp3333 = 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))
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prm%C66_trans(1:6,1:6,index_myFamily+j) = math_Mandel3333to66(temp3333)
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!* 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)
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startIndex=1_pInt
endIndex=prm%totalNslip
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stt%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:)
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stt%rhoEdge= spread(prm%rho0,2,NipcMyPhase)
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dot%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:)
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plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho
startIndex=endIndex+1
endIndex=endIndex+prm%totalNslip
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stt%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:)
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stt%rhoEdgeDip= spread(prm%rhoDip0,2,NipcMyPhase)
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dot%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:)
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plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho
startIndex=endIndex+1
endIndex=endIndex+prm%totalNslip
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stt%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:)
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dot%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:)
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plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal
startIndex=endIndex+1
endIndex=endIndex+prm%totalNtwin
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stt%twinFraction=>plasticState(p)%state(startIndex:endIndex,:)
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dot%twinFraction=>plasticState(p)%dotState(startIndex:endIndex,:)
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plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTwinFrac
startIndex=endIndex+1
endIndex=endIndex+prm%totalNtwin
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stt%accshear_twin=>plasticState(p)%state(startIndex:endIndex,:)
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dot%accshear_twin=>plasticState(p)%dotState(startIndex:endIndex,:)
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plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal
startIndex=endIndex+1
endIndex=endIndex+prm%totalNtrans
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stt%stressTransFraction=>plasticState(p)%state(startIndex:endIndex,:)
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dot%stressTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:)
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plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac
startIndex=endIndex+1
endIndex=endIndex+prm%totalNtrans
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stt%strainTransFraction=>plasticState(p)%state(startIndex:endIndex,:)
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dot%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:)
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plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac
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plasticState(p)%state0 = plasticState(p)%state
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dot%whole => plasticState(p)%dotState
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allocate(mse%invLambdaSlip(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%totalNtrans,NipcMyPhase),source=0.0_pReal)
allocate(mse%invLambdaTrans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal)
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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)
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allocate(mse%threshold_stress_slip(prm%totalNslip,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)
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allocate(mse%tau_r_twin(prm%totalNtwin,NipcMyPhase), source=0.0_pReal)
allocate(mse%tau_r_trans(prm%totalNtrans,NipcMyPhase), source=0.0_pReal)
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allocate(mse%twinVolume(prm%totalNtwin,NipcMyPhase), source=0.0_pReal)
allocate(mse%martensiteVolume(prm%totalNtrans,NipcMyPhase), source=0.0_pReal)
end associate
enddo
end subroutine plastic_dislotwin_init
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!--------------------------------------------------------------------------------------------------
!> @brief returns the homogenized elasticity matrix
!--------------------------------------------------------------------------------------------------
function plastic_dislotwin_homogenizedC(ipc,ip,el)
use material, only: &
material_phase, &
phase_plasticityInstance, &
phasememberAt
implicit none
real(pReal), dimension(6,6) :: &
plastic_dislotwin_homogenizedC
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
type(tParameters) :: prm
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type(tDislotwinState) :: stt
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integer(pInt) :: i, &
of
real(pReal) :: f_unrotated
of = phasememberAt(ipc,ip,el)
associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),&
stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))))
f_unrotated = 1.0_pReal &
- sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) &
- sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) &
- sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of))
plastic_dislotwin_homogenizedC = f_unrotated * prm%C66
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do i=1_pInt,prm%totalNtwin
plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC &
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+ stt%twinFraction(i,of)*prm%C66_twin(1:6,1:6,i)
enddo
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do i=1_pInt,prm%totalNtrans
plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC &
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+(stt%stressTransFraction(i,of)+stt%strainTransFraction(i,of))*&
prm%C66_trans(1:6,1:6,i)
enddo
end associate
end function plastic_dislotwin_homogenizedC
!--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state
!--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el)
use math, only: &
PI
use material, only: &
material_phase, &
phase_plasticityInstance, &
phasememberAt
implicit none
integer(pInt), intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in) :: &
temperature !< temperature at IP
integer(pInt) :: &
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i, &
of
real(pReal) :: &
sumf_twin,SFE,sumf_trans
real(pReal), dimension(:), allocatable :: &
x0, &
fOverStacksize, &
ftransOverLamellarSize
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type(tParameters) :: prm !< parameters of present instance
type(tDislotwinState) :: stt !< state of present instance
type(tDislotwinMicrostructure) :: mse
of = phasememberAt(ipc,ip,el)
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associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),&
stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))),&
mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el))))
sumf_twin = sum(stt%twinFraction(1:prm%totalNtwin,of))
sumf_trans = sum(stt%stressTransFraction(1:prm%totalNtrans,of)) &
+ sum(stt%strainTransFraction(1:prm%totalNtrans,of))
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sfe = prm%SFE_0K + prm%dSFE_dT * Temperature
!* rescaled volume fraction for topology
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fOverStacksize = stt%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize !ToDo: this is per system
ftransOverLamellarSize = sumf_trans/prm%lamellarsizePerTransSystem !ToDo: But this not ...
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!Todo: Physically ok, but naming could be adjusted
!* 1/mean free distance between 2 forest dislocations seen by a moving dislocation
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forall (i = 1_pInt:prm%totalNslip) &
mse%invLambdaSlip(i,of) = &
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sqrt(dot_product((stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of)),&
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prm%forestProjectionEdge(1:prm%totalNslip,i)))/prm%CLambdaSlip(i)
!* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation
!$OMP CRITICAL (evilmatmul)
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if (prm%totalNtwin > 0_pInt .and. prm%totalNslip > 0_pInt) &
mse%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = &
matmul(prm%interaction_SlipTwin,fOverStacksize)/(1.0_pReal-sumf_twin)
!* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
!ToDo: needed? if (prm%totalNtwin > 0_pInt) &
mse%invLambdaTwin(1_pInt:prm%totalNtwin,of) = &
matmul(prm%interaction_TwinTwin,fOverStacksize)/(1.0_pReal-sumf_twin)
!* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation
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if (prm%totalNtrans > 0_pInt .and. prm%totalNslip > 0_pInt) &
mse%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = &
matmul(prm%interaction_SlipTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans)
!* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans)
!ToDo: needed? if (prm%totalNtrans > 0_pInt) &
mse%invLambdaTrans(1_pInt:prm%totalNtrans,of) = &
matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans)
!$OMP END CRITICAL (evilmatmul)
!* mean free path between 2 obstacles seen by a moving dislocation
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do i = 1_pInt,prm%totalNslip
if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then ! ToDo: This is too simplified
mse%mfp_slip(i,of) = &
prm%GrainSize/(1.0_pReal+prm%GrainSize*&
(mse%invLambdaSlip(i,of) + mse%invLambdaSlipTwin(i,of) + mse%invLambdaSlipTrans(i,of)))
else
mse%mfp_slip(i,of) = &
prm%GrainSize/&
(1.0_pReal+prm%GrainSize*(mse%invLambdaSlip(i,of))) !!!!!! correct?
endif
enddo
!* mean free path between 2 obstacles seen by a growing twin/martensite
mse%mfp_twin(:,of) = prm%Cmfptwin*prm%GrainSize/ (1.0_pReal+prm%GrainSize*mse%invLambdaTwin(:,of))
mse%mfp_trans(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*mse%invLambdaTrans(:,of))
!* threshold stress for dislocation motion
forall (i = 1_pInt:prm%totalNslip) mse%threshold_stress_slip(i,of) = &
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prm%mu*prm%burgers_slip(i)*&
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sqrt(dot_product(stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of),&
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prm%interaction_SlipSlip(i,1:prm%totalNslip)))
!* threshold stress for growing twin/martensite
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if(prm%totalNtwin == prm%totalNslip) &
mse%threshold_stress_twin(:,of) = prm%Cthresholdtwin* &
(sfe/(3.0_pReal*prm%burgers_twin)+ 3.0_pReal*prm%burgers_twin*prm%mu/ &
(prm%L0_twin*prm%burgers_slip)) ! slip burgers here correct?
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if(prm%totalNtrans == prm%totalNslip) &
mse%threshold_stress_trans(:,of) = prm%Cthresholdtrans* &
(sfe/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*prm%mu/&
(prm%L0_trans*prm%burgers_slip) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) )
! final volume after growth
mse%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*mse%mfp_twin(:,of)**2.0_pReal
mse%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*mse%mfp_trans(:,of)**2.0_pReal
!* equilibrium separation of partial dislocations (twin)
x0 = prm%mu*prm%burgers_twin**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu)
mse%tau_r_twin(:,of) = prm%mu*prm%burgers_twin/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0)
!* equilibrium separation of partial dislocations (trans)
x0 = prm%mu*prm%burgers_trans**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu)
mse%tau_r_trans(:,of) = prm%mu*prm%burgers_trans/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0)
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end associate
end subroutine plastic_dislotwin_microstructure
!--------------------------------------------------------------------------------------------------
!> @brief calculates plastic velocity gradient and its tangent
!--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance,of)
use prec, only: &
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tol_math_check, &
dNeq0
use math, only: &
math_eigenValuesVectorsSym, &
math_tensorproduct33, &
math_symmetric33, &
math_mul33xx33, &
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math_mul33x3
use material, only: &
material_phase, &
phase_plasticityInstance, &
phasememberAt
implicit none
real(pReal), dimension(3,3), intent(out) :: Lp
real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp
real(pReal), dimension(3,3), intent(in) :: Mp
integer(pInt), intent(in) :: instance,of
real(pReal), intent(in) :: Temperature
integer(pInt) :: i,k,l,m,n,s1,s2
real(pReal) :: f_unrotated,StressRatio_p,&
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StressRatio_r,BoltzmannRatio,Ndot0_twin,stressRatio, &
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Ndot0_trans,StressRatio_s, &
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dgdot_dtau, &
tau
real(pReal), dimension(param(instance)%totalNslip) :: &
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gdot_slip,dgdot_dtau_slip
real(pReal), dimension(param(instance)%totalNtwin) :: &
gdot_twin,dgdot_dtau_twin
real(pReal):: gdot_sb,gdot_trans
real(pReal), dimension(3,3) :: eigVectors, Schmid_shearBand
real(pReal), dimension(3) :: eigValues, sb_s, sb_m
logical :: error
real(pReal), dimension(3,6), parameter :: &
sb_sComposition = &
reshape(real([&
1, 0, 1, &
1, 0,-1, &
1, 1, 0, &
1,-1, 0, &
0, 1, 1, &
0, 1,-1 &
],pReal),[ 3,6]), &
sb_mComposition = &
reshape(real([&
1, 0,-1, &
1, 0,+1, &
1,-1, 0, &
1, 1, 0, &
0, 1,-1, &
0, 1, 1 &
],pReal),[ 3,6])
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type(tParameters) :: prm !< parameters of present instance
type(tDislotwinState) :: ste !< state of present instance
associate(prm => param(instance), stt => state(instance), mse => microstructure(instance))
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f_unrotated = 1.0_pReal &
- sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) &
- sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) &
- sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of))
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Lp = 0.0_pReal
dLp_dMp = 0.0_pReal
call kinetics_slip(prm,stt,mse,of,Mp,temperature,gdot_slip,dgdot_dtau_slip)
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slipContribution: do i = 1_pInt, prm%totalNslip
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Lp = Lp + gdot_slip(i)*prm%Schmid_slip(1:3,1:3,i)
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
+ dgdot_dtau_slip(i) * prm%Schmid_slip(k,l,i) * prm%Schmid_slip(m,n,i)
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enddo slipContribution
!ToDo: Why do this before shear banding?
Lp = Lp * f_unrotated
dLp_dMp = dLp_dMp * f_unrotated
shearBandingContribution: if(dNeq0(prm%sbVelocity)) then
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BoltzmannRatio = prm%sbQedge/(kB*Temperature)
call math_eigenValuesVectorsSym(Mp,eigValues,eigVectors,error)
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do i = 1_pInt,6_pInt
sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,i))
sb_m = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_mComposition(1:3,i))
Schmid_shearBand = math_tensorproduct33(sb_s,sb_m)
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tau = math_mul33xx33(Mp,Schmid_shearBand)
significantShearBandStress: if (abs(tau) > tol_math_check) then
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StressRatio_p = (abs(tau)/prm%sbResistance)**prm%pShearBand
gdot_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand), tau)
dgdot_dtau = ((abs(gdot_sb)*BoltzmannRatio* prm%pShearBand*prm%qShearBand)/ prm%sbResistance) &
* (abs(tau)/prm%sbResistance)**(prm%pShearBand-1.0_pReal) &
* (1.0_pReal-StressRatio_p)**(prm%qShearBand-1.0_pReal)
Lp = Lp + gdot_sb * Schmid_shearBand
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
+ dgdot_dtau * Schmid_shearBand(k,l) * Schmid_shearBand(m,n)
endif significantShearBandStress
enddo
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endif shearBandingContribution
call kinetics_twin(prm,stt,mse,of,Mp,temperature,gdot_slip,gdot_twin,dgdot_dtau_twin)
gdot_twin = f_unrotated * gdot_twin
dgdot_dtau_twin = f_unrotated * dgdot_dtau_twin
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twinContibution: do i = 1_pInt, prm%totalNtwin
Lp = Lp + gdot_twin(i)*prm%Schmid_twin(1:3,1:3,i)
forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
+ dgdot_dtau_twin(i)* prm%Schmid_twin(k,l,i)*prm%Schmid_twin(m,n,i)
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enddo twinContibution
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transConstribution: do i = 1_pInt, prm%totalNtrans
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tau = math_mul33xx33(Mp,prm%Schmid_trans(1:3,1:3,i))
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significantTransStress: if (tau > tol_math_check) then
StressRatio_s = (mse%threshold_stress_trans(i,of)/tau)**prm%s(i)
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isFCCtrans: if (prm%isFCC) then
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s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau < mse%tau_r_trans(i,of)) then
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Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& !!!!! correct?
abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/&
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(prm%L0_trans*prm%burgers_slip(i))*&
(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*(mse%tau_r_trans(i,of)-tau)))
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else
Ndot0_trans=0.0_pReal
end if
else isFCCtrans
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Ndot0_trans=prm%Ndot0_trans(i)
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endif isFCCtrans
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gdot_trans = mse%martensiteVolume(i,of) * Ndot0_trans*exp(-StressRatio_s)
gdot_trans = f_unrotated * gdot_trans
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dgdot_dtau = ((gdot_trans*prm%s(i))/tau)*StressRatio_s
Lp = Lp + gdot_trans*prm%Schmid_trans(1:3,1:3,i)
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forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) &
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
+ dgdot_dtau * prm%Schmid_trans(k,l,i)* prm%Schmid_trans(m,n,i)
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endif significantTransStress
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enddo transConstribution
end associate
end subroutine plastic_dislotwin_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief calculates the rate of change of microstructure
!--------------------------------------------------------------------------------------------------
subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of)
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use prec, only: &
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tol_math_check, &
dEq0
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use math, only: &
math_mul33xx33, &
math_Mandel6to33, &
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pi
use material, only: &
material_phase, &
phase_plasticityInstance, &
plasticState, &
phasememberAt
implicit none
real(pReal), dimension(3,3), intent(in):: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
temperature !< temperature at integration point
integer(pInt), intent(in) :: &
instance, &
of
integer(pInt) :: i,s1,s2
real(pReal) :: f_unrotated,StressRatio_p,BoltzmannRatio,&
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EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0_twin,stressRatio,&
Ndot0_trans,StressRatio_s,EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, &
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DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation, &
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tau
real(pReal), dimension(plasticState(instance)%Nslip) :: &
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gdot_slip
type(tParameters) :: prm
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type(tDislotwinState) :: stt, dot
type(tDislotwinMicrostructure) :: mse
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associate(prm => param(instance), stt => state(instance), &
dot => dotstate(instance), mse => microstructure(instance))
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dot%whole(:,of) = 0.0_pReal
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f_unrotated = 1.0_pReal &
- sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) &
- sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) &
- sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of))
call kinetics_slip(prm,stt,mse,of,Mp,temperature,gdot_slip)
slipState: do i = 1_pInt, prm%totalNslip
tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i))
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DotRhoMultiplication = abs(gdot_slip(i))/(prm%burgers_slip(i)*mse%mfp_slip(i,of))
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EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%burgers_slip(i)
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significantSlipStress2: if (dEq0(tau)) then
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DotRhoDipFormation = 0.0_pReal
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else significantSlipStress2
EdgeDipDistance = (3.0_pReal*prm%mu*prm%burgers_slip(i))/(16.0_pReal*PI*abs(tau))
if (EdgeDipDistance>mse%mfp_slip(i,of)) EdgeDipDistance = mse%mfp_slip(i,of)
if (EdgeDipDistance<EdgeDipMinDistance) EdgeDipDistance = EdgeDipMinDistance
if (prm%dipoleFormation) then
DotRhoDipFormation = ((2.0_pReal*(EdgeDipDistance-EdgeDipMinDistance))/prm%burgers_slip(i)) &
* stt%rhoEdge(i,of)*abs(gdot_slip(i))
else
DotRhoDipFormation = 0.0_pReal
endif
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endif significantSlipStress2
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!* Spontaneous annihilation of 2 single edge dislocations
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DotRhoEdgeEdgeAnnihilation = ((2.0_pReal*EdgeDipMinDistance)/prm%burgers_slip(i))*&
stt%rhoEdge(i,of)*abs(gdot_slip(i))
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!* Spontaneous annihilation of a single edge dislocation with a dipole constituent
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DotRhoEdgeDipAnnihilation = ((2.0_pReal*EdgeDipMinDistance)/prm%burgers_slip(i)) &
* stt%rhoEdgeDip(i,of)*abs(gdot_slip(i))
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!* Dislocation dipole climb
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AtomicVolume = prm%CAtomicVolume*prm%burgers_slip(i)**(3.0_pReal) ! no need to calculate this over and over again
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VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature))
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if (dEq0(tau)) then
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DotRhoEdgeDipClimb = 0.0_pReal
else
if (dEq0(EdgeDipDistance-EdgeDipMinDistance)) then
DotRhoEdgeDipClimb = 0.0_pReal
else
ClimbVelocity = 3.0_pReal*prm%mu*VacancyDiffusion*AtomicVolume/ &
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(2.0_pReal*pi*kB*Temperature*(EdgeDipDistance+EdgeDipMinDistance))
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DotRhoEdgeDipClimb = 4.0_pReal*ClimbVelocity*stt%rhoEdgeDip(i,of)/ &
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(EdgeDipDistance-EdgeDipMinDistance)
endif
endif
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dot%rhoEdge(i,of) = DotRhoMultiplication-DotRhoDipFormation-DotRhoEdgeEdgeAnnihilation
dot%rhoEdgeDip(i,of) = DotRhoDipFormation-DotRhoEdgeDipAnnihilation-DotRhoEdgeDipClimb
dot%accshear_slip(i,of) = abs(gdot_slip(i))
enddo slipState
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twinState: do i = 1_pInt, prm%totalNtwin
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tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i))
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significantTwinStress: if (tau > tol_math_check) then
StressRatio_r = (mse%threshold_stress_twin(i,of)/tau)**prm%r(i)
isFCCtwin: if (prm%isFCC) then
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s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau < mse%tau_r_twin(i,of)) then
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Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+&
abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/&
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(prm%L0_twin*prm%burgers_slip(i))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*&
(mse%tau_r_twin(i,of)-tau)))
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else
Ndot0_twin=0.0_pReal
end if
else isFCCtwin
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Ndot0_twin=prm%Ndot0_twin(i)
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endif isFCCtwin
dot%twinFraction(i,of) = f_unrotated * mse%twinVolume(i,of)*Ndot0_twin*exp(-StressRatio_r)
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dot%accshear_twin(i,of) = dot%twinFraction(i,of) * prm%shear_twin(i)
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endif significantTwinStress
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enddo twinState
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transState: do i = 1_pInt, prm%totalNtrans
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tau = math_mul33xx33(Mp,prm%Schmid_trans(1:3,1:3,i))
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significantTransStress: if (tau > tol_math_check) then
StressRatio_s = (mse%threshold_stress_trans(i,of)/tau)**prm%s(i)
isFCCtrans: if (prm%isFCC) then
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s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau < mse%tau_r_trans(i,of)) then
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Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+&
abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/&
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(prm%L0_trans*prm%burgers_slip(i))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*&
(mse%tau_r_trans(i,of)-tau)))
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else
Ndot0_trans=0.0_pReal
end if
else isFCCtrans
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Ndot0_trans=prm%Ndot0_trans(i)
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endif isFCCtrans
dot%strainTransFraction(i,of) = f_unrotated * &
mse%martensiteVolume(i,of)*Ndot0_trans*exp(-StressRatio_s)
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!* Dotstate for accumulated shear due to transformation
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!dot%accshear_trans(i,of) = dot%strainTransFraction(i,of) * &
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! lattice_sheartrans(index_myfamily+i,ph)
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endif significantTransStress
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enddo transState
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end associate
end subroutine plastic_dislotwin_dotState
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!--------------------------------------------------------------------------------------------------
!> @brief calculates shear rates on slip systems
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics_slip(prm,stt,mse,of,Mp,temperature,gdot_slip,dgdot_dtau_slip)
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use prec, only: &
tol_math_check, &
dNeq0
use math, only: &
math_mul33xx33
implicit none
type(tParameters), intent(in) :: &
prm
type(tDislotwinState), intent(in) :: &
stt
integer(pInt), intent(in) :: &
of
type(tDislotwinMicrostructure), intent(in) :: &
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mse
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real(pReal), dimension(prm%totalNslip), intent(out) :: &
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gdot_slip
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real(pReal), dimension(prm%totalNslip), optional, intent(out) :: &
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dgdot_dtau_slip
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real(pReal), dimension(prm%totalNslip) :: &
dgdot_dtau
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real(pReal), dimension(3,3), intent(in) :: &
Mp
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real(pReal), intent(in) :: &
temperature
real, dimension(prm%totalNslip) :: &
tau, &
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stressRatio, &
StressRatio_p, &
BoltzmannRatio, &
v_wait_inverse, & !< inverse of the effective velocity of a dislocation waiting at obstacles (unsigned)
v_run_inverse, & !< inverse of the velocity of a free moving dislocation (unsigned)
dV_wait_inverse_dTau, &
dV_run_inverse_dTau, &
dV_dTau, &
tau_eff !< effective resolved stress
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integer(pInt) :: i
do i = 1_pInt, prm%totalNslip
tau(i) = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i))
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enddo
tau_eff = abs(tau)-mse%threshold_stress_slip(:,of)
significantStress: where(tau_eff > tol_math_check)
stressRatio = tau_eff/(prm%SolidSolutionStrength+prm%tau_peierls)
StressRatio_p = stressRatio** prm%p
BoltzmannRatio = prm%Qedge/(kB*Temperature)
v_wait_inverse = prm%v0**(-1.0_pReal) * exp(BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q)
v_run_inverse = prm%B/(tau_eff*prm%burgers_slip)
gdot_slip = sign(stt%rhoEdge(:,of)*prm%burgers_slip/(v_wait_inverse+v_run_inverse),tau)
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dV_wait_inverse_dTau = v_wait_inverse * prm%p * prm%q * BoltzmannRatio &
* (stressRatio**(prm%p-1.0_pReal)) &
* (1.0_pReal-StressRatio_p)**(prm%q-1.0_pReal) &
/ (prm%SolidSolutionStrength+prm%tau_peierls)
dV_run_inverse_dTau = v_run_inverse/tau_eff
dV_dTau = (dV_wait_inverse_dTau+dV_run_inverse_dTau) &
/ (v_wait_inverse+v_run_inverse)**2.0_pReal
dgdot_dtau = dV_dTau*stt%rhoEdge(:,of)*prm%burgers_slip
else where significantStress
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gdot_slip = 0.0_pReal
dgdot_dtau = 0.0_pReal
end where significantStress
if(present(dgdot_dtau_slip)) dgdot_dtau_slip = dgdot_dtau
end subroutine kinetics_slip
!--------------------------------------------------------------------------------------------------
!> @brief calculates shear rates on twin systems
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics_twin(prm,stt,mse,of,Mp,temperature,gdot_slip,gdot_twin,dgdot_dtau_twin)
use prec, only: &
tol_math_check, &
dNeq0
use math, only: &
math_mul33xx33
implicit none
type(tParameters), intent(in) :: &
prm
type(tDislotwinState), intent(in) :: &
stt
integer(pInt), intent(in) :: &
of
type(tDislotwinMicrostructure), intent(in) :: &
mse
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real(pReal), dimension(prm%totalNslip), intent(out) :: &
gdot_slip
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real(pReal), dimension(prm%totalNtwin), intent(out) :: &
gdot_twin
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real(pReal), dimension(prm%totalNtwin), optional, intent(out) :: &
dgdot_dtau_twin
real(pReal), dimension(3,3), intent(in) :: &
Mp
real(pReal), intent(in) :: &
temperature
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real, dimension(prm%totalNtwin) :: &
tau, &
Ndot0_twin, &
stressRatio_r, &
dgdot_dtau
integer(pInt) :: i,s1,s2
do i = 1_pInt, prm%totalNtwin
tau(i) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,i))
isFCC: if (prm%isFCC) then
s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau(i) < mse%tau_r_twin(i,of)) then
Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+&
abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/&
(prm%L0_twin*prm%burgers_slip(i))*&
(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*&
(mse%tau_r_twin(i,of)-tau)))
else
Ndot0_twin=0.0_pReal
end if
else isFCC
Ndot0_twin=prm%Ndot0_twin(i)
endif isFCC
enddo
significantStress: where(tau > tol_math_check)
StressRatio_r = (mse%threshold_stress_twin(:,of)/tau)**prm%r
gdot_twin = prm%shear_twin * mse%twinVolume(:,of) * Ndot0_twin*exp(-StressRatio_r)
dgdot_dtau = ((gdot_twin*prm%r)/tau)*StressRatio_r
else where significantStress
gdot_twin = 0.0_pReal
dgdot_dtau = 0.0_pReal
end where significantStress
if(present(dgdot_dtau_twin)) dgdot_dtau_twin = dgdot_dtau
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end subroutine kinetics_twin
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!--------------------------------------------------------------------------------------------------
!> @brief calculates shear rates on transformation systems
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics_trans(prm,stt,mse,of,Mp,temperature,gdot_slip,gdot_trans,dgdot_dtau_trans)
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use prec, only: &
tol_math_check, &
dNeq0
use math, only: &
math_mul33xx33
implicit none
type(tParameters), intent(in) :: &
prm
type(tDislotwinState), intent(in) :: &
stt
integer(pInt), intent(in) :: &
of
type(tDislotwinMicrostructure), intent(in) :: &
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mse
real(pReal), dimension(prm%totalNslip), intent(out) :: &
gdot_slip
real(pReal), dimension(prm%totalNtrans), intent(out) :: &
gdot_trans
real(pReal), dimension(prm%totalNtrans), optional, intent(out) :: &
dgdot_dtau_trans
real(pReal), dimension(3,3), intent(in) :: &
Mp
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real(pReal), intent(in) :: &
temperature
real, dimension(prm%totalNtrans) :: &
tau, &
Ndot0_trans, &
stressRatio_r, &
dgdot_dtau
integer(pInt) :: i,s1,s2
do i = 1_pInt, prm%totalNtrans
tau(i) = math_mul33xx33(Mp,prm%Schmid_trans(1:3,1:3,i))
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isFCC: if (prm%isFCC) then
s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau(i) < mse%tau_r_trans(i,of)) then
Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+&
abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/&
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(prm%L0_trans*prm%burgers_slip(i))*& ! burgers_slip correct?
(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*&
(mse%tau_r_trans(i,of)-tau)))
else
Ndot0_trans=0.0_pReal
end if
else isFCC
Ndot0_trans=prm%Ndot0_trans(i)
endif isFCC
enddo
!
!
! endif isFCCtrans
! dot%strainTransFraction(i,of) = f_unrotated * &
! mse%martensiteVolume(i,of)*Ndot0_trans*exp(-StressRatio_s)
! !* Dotstate for accumulated shear due to transformation
! !dot%accshear_trans(i,of) = dot%strainTransFraction(i,of) * &
! ! lattice_sheartrans(index_myfamily+i,ph)
! endif significantTransStress
!
! enddo transState
!
!
! significantStress: where(tau > tol_math_check)
! StressRatio_r = (mse%threshold_stress_twin(:,of)/tau)**prm%r
! gdot_twin = prm%shear_twin * mse%twinVolume(:,of) * Ndot0_twin*exp(-StressRatio_r)
! dgdot_dtau = ((gdot_twin*prm%r)/tau)*StressRatio_r
! else where significantStress
! gdot_twin = 0.0_pReal
! dgdot_dtau = 0.0_pReal
! end where significantStress
!
! if(present(dgdot_dtau_twin)) dgdot_dtau_twin = dgdot_dtau
!
end subroutine kinetics_trans
!--------------------------------------------------------------------------------------------------
!> @brief return array of constitutive results
!--------------------------------------------------------------------------------------------------
function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postResults)
use prec, only: &
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tol_math_check, &
dEq0
use math, only: &
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PI, &
math_mul33xx33, &
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math_Mandel6to33
use material, only: &
material_phase, &
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plasticState, &
phase_plasticityInstance,&
phasememberAt
implicit none
real(pReal), dimension(3,3),intent(in) :: &
Mp !< 2nd Piola Kirchhoff stress tensor in Mandel notation
real(pReal), intent(in) :: &
temperature !< temperature at integration point
integer(pInt), intent(in) :: &
instance, &
of
real(pReal), dimension(sum(plastic_dislotwin_sizePostResult(:,instance))) :: &
postResults
integer(pInt) :: &
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o,c,j,&
s1,s2
real(pReal) :: sumf_twin,tau,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,StressRatio_r,Ndot0_twin,dgdot_dtauslip, &
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stressRatio
real(pReal), dimension(param(instance)%totalNslip) :: &
gdot_slip
type(tParameters) :: prm
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type(tDislotwinState) :: stt
type(tDislotwinMicrostructure) :: mse
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associate(prm => param(instance), stt => state(instance), mse => microstructure(instance))
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sumf_twin = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of))
c = 0_pInt
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postResults = 0.0_pReal
do o = 1_pInt,size(prm%outputID)
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select case(prm%outputID(o))
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case (edge_density_ID)
postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdge(1_pInt:prm%totalNslip,of)
c = c + prm%totalNslip
case (dipole_density_ID)
postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdgeDip(1_pInt:prm%totalNslip,of)
c = c + prm%totalNslip
case (shear_rate_slip_ID)
call kinetics_slip(prm,stt,mse,of,Mp,temperature,postResults(c+1:c+prm%totalNslip))
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c = c + prm%totalNslip
case (accumulated_shear_slip_ID)
postResults(c+1_pInt:c+prm%totalNslip) = stt%accshear_slip(1_pInt:prm%totalNslip,of)
c = c + prm%totalNslip
case (mfp_slip_ID)
postResults(c+1_pInt:c+prm%totalNslip) = mse%mfp_slip(1_pInt:prm%totalNslip,of)
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c = c + prm%totalNslip
case (resolved_stress_slip_ID)
do j = 1_pInt, prm%totalNslip
postResults(c+j) = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j))
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enddo
c = c + prm%totalNslip
case (threshold_stress_slip_ID)
postResults(c+1_pInt:c+prm%totalNslip) = mse%threshold_stress_slip(1_pInt:prm%totalNslip,of)
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c = c + prm%totalNslip
case (edge_dipole_distance_ID)
do j = 1_pInt, prm%totalNslip
postResults(c+j) = (3.0_pReal*prm%mu*prm%burgers_slip(j)) &
/ (16.0_pReal*PI*abs(math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j))))
postResults(c+j)=min(postResults(c+j),mse%mfp_slip(j,of))
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! postResults(c+j)=max(postResults(c+j),&
! plasticState(ph)%state(4*ns+2*nt+2*nr+j, of))
enddo
c = c + prm%totalNslip
! case (resolved_stress_shearband_ID)
! do j = 1_pInt,6_pInt ! loop over all shearband families
! postResults(c+j) = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el))
! enddo
! c = c + 6_pInt
! case (shear_rate_shearband_ID)
! do j = 1_pInt,6_pInt ! loop over all shearbands
! tau = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el))
! if (abs(tau) < tol_math_check) then
! StressRatio_p = 0.0_pReal
! StressRatio_pminus1 = 0.0_pReal
! else
! StressRatio_p = (abs(tau)/prm%sbResistance)**prm%pShearBand
! StressRatio_pminus1 = (abs(tau)/prm%sbResistance)**(prm%pShearBand-1.0_pReal)
! endif
! BoltzmannRatio = prm%sbQedge/(kB*Temperature)
! DotGamma0 = prm%sbVelocity
! postResults(c+j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand)*&
! sign(1.0_pReal,tau)
! enddo
! c = c + 6_pInt
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case (twin_fraction_ID)
postResults(c+1_pInt:c+prm%totalNtwin) = stt%twinFraction(1_pInt:prm%totalNtwin,of)
c = c + prm%totalNtwin
case (shear_rate_twin_ID)
do j = 1_pInt, prm%totalNslip
tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j))
if((abs(tau)-mse%threshold_stress_slip(j,of)) > tol_math_check) then
StressRatio_p = ((abs(tau)-mse%threshold_stress_slip(j,of))/&
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(prm%SolidSolutionStrength+&
prm%tau_peierls(j)))&
**prm%p(j)
StressRatio_pminus1 = ((abs(tau)-mse%threshold_stress_slip(j,of))/&
(prm%SolidSolutionStrength+&
prm%tau_peierls(j)))&
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**(prm%p(j)-1.0_pReal)
BoltzmannRatio = prm%Qedge(j)/(kB*Temperature)
DotGamma0 = stt%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j)
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gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**&
prm%q(j))*sign(1.0_pReal,tau)
else
gdot_slip(j) = 0.0_pReal
endif
enddo
do j = 1_pInt, prm%totalNtwin
tau = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,j))
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if ( tau > 0.0_pReal ) then
isFCCtwin: if (prm%isFCC) then
s1=prm%fcc_twinNucleationSlipPair(1,j)
s2=prm%fcc_twinNucleationSlipPair(2,j)
if (tau < mse%tau_r_twin(j,of)) then
Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+&
abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/&
(prm%L0_twin* prm%burgers_slip(j))*&
(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)* (mse%tau_r_twin(j,of)-tau)))
else
Ndot0_twin=0.0_pReal
end if
else isFCCtwin
Ndot0_twin=prm%Ndot0_twin(j)
endif isFCCtwin
StressRatio_r = (mse%threshold_stress_twin(j,of)/tau) **prm%r(j)
postResults(c+j) = (prm%MaxTwinFraction-sumf_twin)*prm%shear_twin(j) &
* mse%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r)
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endif
enddo
c = c + prm%totalNtwin
case (accumulated_shear_twin_ID)
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postResults(c+1_pInt:c+prm%totalNtwin) = stt%accshear_twin(1_pInt:prm%totalNtwin,of)
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c = c + prm%totalNtwin
case (mfp_twin_ID)
postResults(c+1_pInt:c+prm%totalNtwin) = mse%mfp_twin(1_pInt:prm%totalNtwin,of)
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c = c + prm%totalNtwin
case (resolved_stress_twin_ID)
do j = 1_pInt, prm%totalNtwin
postResults(c+j) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,j))
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enddo
c = c + prm%totalNtwin
case (threshold_stress_twin_ID)
postResults(c+1_pInt:c+prm%totalNtwin) = mse%threshold_stress_twin(1_pInt:prm%totalNtwin,of)
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c = c + prm%totalNtwin
case (stress_exponent_ID)
do j = 1_pInt, prm%totalNslip
tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j))
if((abs(tau)-mse%threshold_stress_slip(j,of)) > tol_math_check) then
StressRatio_p = ((abs(tau)-mse%threshold_stress_slip(j,of))/&
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(prm%SolidSolutionStrength+&
prm%tau_peierls(j)))&
**prm%p(j)
StressRatio_pminus1 = ((abs(tau)-mse%threshold_stress_slip(j,of))/&
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(prm%SolidSolutionStrength+&
prm%tau_peierls(j)))&
**(prm%p(j)-1.0_pReal)
BoltzmannRatio = prm%Qedge(j)/(kB*Temperature)
DotGamma0 = stt%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j)
gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**&
prm%q(j))*sign(1.0_pReal,tau)
dgdot_dtauslip = abs(gdot_slip(j))*BoltzmannRatio*prm%p(j) *prm%q(j)/&
(prm%SolidSolutionStrength+ prm%tau_peierls(j))*&
StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal)
else
gdot_slip(j) = 0.0_pReal
dgdot_dtauslip = 0.0_pReal
endif
postResults(c+j) = merge(0.0_pReal,(tau/gdot_slip(j))*dgdot_dtauslip,dEq0(gdot_slip(j)))
enddo
c = c + prm%totalNslip
case (stress_trans_fraction_ID)
postResults(c+1_pInt:c+prm%totalNtrans) = stt%stressTransFraction(1_pInt:prm%totalNtrans,of)
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c = c + prm%totalNtrans
case (strain_trans_fraction_ID)
postResults(c+1_pInt:c+prm%totalNtrans) = stt%strainTransFraction(1_pInt:prm%totalNtrans,of)
c = c + prm%totalNtrans
end select
enddo
end associate
end function plastic_dislotwin_postResults
end module plastic_dislotwin