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using wrong default for dipole formation
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!--------------------------------------------------------------------------------------------------
don't know what happend to the copyright note
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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
added doxygen documentation and unified variable names and some common parts of the code
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief material subroutine incoprorating dislocation and twinning physics
!> @details to be done
!--------------------------------------------------------------------------------------------------
sources and kinematics modules under submodules
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submodule(constitutive:constitutive_plastic) plastic_dislotwin
style unification, no enums for output
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real(pReal), parameter :: &
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kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
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type :: tParameters
real(pReal) :: &
works for elasticity only
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mu = 1.0_pReal, & !< equivalent shear modulus
nu = 1.0_pReal, & !< equivalent shear Poisson's ratio
D0 = 1.0_pReal, & !< prefactor for self-diffusion coefficient
Qsd = 1.0_pReal, & !< activation energy for dislocation climb
omega = 1.0_pReal, & !< frequency factor for dislocation climb
D = 1.0_pReal, & !< grain size
p_sb = 1.0_pReal, & !< p-exponent in shear band velocity
q_sb = 1.0_pReal, & !< q-exponent in shear band velocity
CEdgeDipMinDistance = 1.0_pReal, & !<
i_tw = 1.0_pReal, & !<
tau_0 = 1.0_pReal, & !< strength due to elements in solid solution
L_tw = 1.0_pReal, & !< Length of twin nuclei in Burgers vectors
L_tr = 1.0_pReal, & !< Length of trans nuclei in Burgers vectors
xc_twin = 1.0_pReal, & !< critical distance for formation of twin nucleus
xc_trans = 1.0_pReal, & !< critical distance for formation of trans nucleus
V_cs = 1.0_pReal, & !< cross slip volume
sbResistance = 1.0_pReal, & !< value for shearband resistance
sbVelocity = 1.0_pReal, & !< value for shearband velocity_0
E_sb = 1.0_pReal, & !< activation energy for shear bands
SFE_0K = 1.0_pReal, & !< stacking fault energy at zero K
dSFE_dT = 1.0_pReal, & !< temperature dependence of stacking fault energy
gamma_fcc_hex = 1.0_pReal, & !< Free energy difference between austensite and martensite
i_tr = 1.0_pReal, & !<
h = 1.0_pReal !< Stack height of hex nucleus
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real(pReal), allocatable, dimension(:) :: &
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b_sl, & !< absolute length of burgers vector [m] for each slip system
b_tw, & !< absolute length of burgers vector [m] for each twin system
b_tr, & !< absolute length of burgers vector [m] for each transformation system
Delta_F,& !< activation energy for glide [J] for each slip system
v0, & !< dislocation velocity prefactor [m/s] for each slip system
dot_N_0_tw, & !< twin nucleation rate [1/m³s] for each twin system
dot_N_0_tr, & !< trans nucleation rate [1/m³s] for each trans system
t_tw, & !< twin thickness [m] for each twin system
CLambdaSlip, & !< Adj. parameter for distance between 2 forest dislocations for each slip system
t_tr, & !< 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
gamma_char, & !< characteristic shear for twins
B !< drag coefficient
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real(pReal), allocatable, dimension(:,:) :: &
h_sl_sl, & !<
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h_sl_tw, & !<
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h_tw_tw, & !<
h_sl_tr, & !<
h_tr_tr, & !<
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n0_sl, & !< slip system normal
forestProjection, &
C66
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real(pReal), allocatable, dimension(:,:,:) :: &
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P_sl, &
P_tw, &
notation from DAMASK paper
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P_tr, &
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C66_tw, &
C66_tr
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integer :: &
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sum_N_sl, & !< total number of active slip system
sum_N_tw, & !< total number of active twin system
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sum_N_tr !< total number of active transformation system
integer, allocatable, dimension(:,:) :: &
fcc_twinNucleationSlipPair ! ToDo: Better name? Is also use for trans
character(len=pStringLen), allocatable, dimension(:) :: &
output
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logical :: &
ExtendedDislocations, & !< consider split into partials for climb calculation
fccTwinTransNucleation, & !< twinning and transformation models are for fcc
dipoleFormation !< flag indicating consideration of dipole formation
end type !< container type for internal constitutive parameters
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type :: tDislotwinState
real(pReal), dimension(:,:), pointer :: &
rho_mob, &
rho_dip, &
gamma_sl, &
f_tw, &
f_tr
end type tDislotwinState
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type :: tDislotwinMicrostructure
real(pReal), dimension(:,:), allocatable :: &
Lambda_sl, & !< mean free path between 2 obstacles seen by a moving dislocation
Lambda_tw, & !< mean free path between 2 obstacles seen by a growing twin
Lambda_tr, & !< mean free path between 2 obstacles seen by a growing martensite
tau_pass, &
tau_hat_tw, &
tau_hat_tr, &
V_tw, & !< volume of a new twin
V_tr, & !< volume of a new martensite disc
tau_r_tw, & !< stress to bring partials close together (twin)
tau_r_tr !< stress to bring partials close together (trans)
end type tDislotwinMicrostructure
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mutual unification
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!--------------------------------------------------------------------------------------------------
! containers for parameters and state
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type(tParameters), allocatable, dimension(:) :: param
type(tDislotwinState), allocatable, dimension(:) :: &
dotState, &
state
type(tDislotwinMicrostructure), allocatable, dimension(:) :: dependentState
added doxygen documentation and unified variable names and some common parts of the code
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contains
sorry, last version did not compile. now with correct encoding.
2011-04-13 17:21:46 +05:30
added "public" (and where possible "protected") statements to functions/subroutines/variables/parameters where needed added -fmodule-private to compile options for gfortran, i.e. gfortran won't compile anymore if an entity is not explicitly declared as public but used in another module to ensure stronger encapsulation
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added doxygen documentation and unified variable names and some common parts of the code
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!--------------------------------------------------------------------------------------------------
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!> @brief Perform module initialization.
added doxygen documentation and unified variable names and some common parts of the code
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!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
simplifying
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module subroutine plastic_dislotwin_init
prepared new State for dislotwin
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integer :: &
Ninstance, &
p, i, &
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NipcMyPhase, &
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sizeState, sizeDotState, &
startIndex, endIndex
works for elasticity only
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integer, dimension(:), allocatable :: &
only store parameters that are needed during the simulation
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N_sl, N_tw, N_tr
works for elasticity only
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real(pReal), allocatable, dimension(:) :: &
rho_mob_0, & !< initial unipolar dislocation density per slip system
rho_dip_0 !< initial dipole dislocation density per slip system
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character(len=pStringLen) :: &
extmsg = ''
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simplifying
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write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_LABEL//' init -+>>>'
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write(6,'(/,a)') ' Ma and Roters, Acta Materialia 52(12):3603–3612, 2004'
write(6,'(a)') ' https://doi.org/10.1016/j.actamat.2004.04.012'
write(6,'(/,a)') ' Roters et al., Computational Materials Science 39:91–95, 2007'
write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2006.04.014'
write(6,'(/,a)') ' Wong et al., Acta Materialia 118:140–151, 2016'
write(6,'(a,/)') ' https://doi.org/10.1016/j.actamat.2016.07.032'
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Ninstance = count(phase_plasticity == PLASTICITY_DISLOTWIN_ID)
simplifying
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write(6,'(a16,1x,i5,/)') '# instances:',Ninstance; flush(6)
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allocate(param(Ninstance))
allocate(state(Ninstance))
allocate(dotState(Ninstance))
allocate(dependentState(Ninstance))
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do p = 1, size(phase_plasticity)
if (phase_plasticity(p) /= PLASTICITY_DISLOTWIN_ID) cycle
associate(prm => param(phase_plasticityInstance(p)), &
dot => dotState(phase_plasticityInstance(p)), &
stt => state(phase_plasticityInstance(p)), &
dst => dependentState(phase_plasticityInstance(p)), &
config => config_phase(p))
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make consistency check
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prm%output = config%getStrings('(output)', defaultVal=emptyStringArray)
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! This data is read in already in lattice
only store parameters that are needed during the simulation
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prm%mu = lattice_mu(p)
prm%nu = lattice_nu(p)
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prm%C66 = lattice_C66(1:6,1:6,p)
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using central functionality
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!--------------------------------------------------------------------------------------------------
! slip related parameters
only store parameters that are needed during the simulation
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N_sl = config%getInts('nslip',defaultVal=emptyIntArray)
handle most stupid case
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prm%sum_N_sl = sum(abs(N_sl))
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slipActive: if (prm%sum_N_sl > 0) then
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prm%P_sl = lattice_SchmidMatrix_slip(N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,config%getFloats('interaction_slipslip'), &
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config%getString('lattice_structure'))
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prm%forestProjection = lattice_forestProjection_edge(N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%forestProjection = transpose(prm%forestProjection)
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only store parameters that are needed during the simulation
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prm%n0_sl = lattice_slip_normal(N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
no need to prefix internal parameters also, use CAPITALS for parameters, but not for module prefixes (does not work for IO and HDF5 anyway)
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prm%fccTwinTransNucleation = merge(.true., .false., lattice_structure(p) == lattice_FCC_ID) &
only store parameters that are needed during the simulation
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.and. (N_sl(1) == 12)
if(prm%fccTwinTransNucleation) prm%fcc_twinNucleationSlipPair = lattice_FCC_TWINNUCLEATIONSLIPPAIR
works for elasticity only
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rho_mob_0 = config%getFloats('rhoedge0', requiredSize=size(N_sl))
rho_dip_0 = config%getFloats('rhoedgedip0',requiredSize=size(N_sl))
only store parameters that are needed during the simulation
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prm%v0 = config%getFloats('v0', requiredSize=size(N_sl))
prm%b_sl = config%getFloats('slipburgers',requiredSize=size(N_sl))
prm%Delta_F = config%getFloats('qedge', requiredSize=size(N_sl))
prm%CLambdaSlip = config%getFloats('clambdaslip',requiredSize=size(N_sl))
prm%p = config%getFloats('p_slip', requiredSize=size(N_sl))
prm%q = config%getFloats('q_slip', requiredSize=size(N_sl))
prm%B = config%getFloats('b', requiredSize=size(N_sl), &
defaultVal=[(0.0_pReal, i=1,size(N_sl))])
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prm%tau_0 = config%getFloat('solidsolutionstrength')
prm%CEdgeDipMinDistance = config%getFloat('cedgedipmindistance')
prm%D0 = config%getFloat('d0')
prm%Qsd = config%getFloat('qsd')
prm%ExtendedDislocations = config%keyExists('/extend_dislocations/')
if (prm%ExtendedDislocations) then
only store parameters that are needed during the simulation
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prm%SFE_0K = config%getFloat('sfe_0k')
prm%dSFE_dT = config%getFloat('dsfe_dt')
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endif
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works for elasticity only
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prm%dipoleformation = .not. config%keyExists('/nodipoleformation/')
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! multiplication factor according to crystal structure (nearest neighbors bcc vs fcc/hex)
make consistency check
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! details: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
prm%omega = config%getFloat('omega', defaultVal = 1000.0_pReal) &
only store parameters that are needed during the simulation
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* merge(12.0_pReal,8.0_pReal,any(lattice_structure(p) == [lattice_FCC_ID,lattice_HEX_ID]))
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! expand: family => system
works for elasticity only
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rho_mob_0 = math_expand(rho_mob_0, N_sl)
rho_dip_0 = math_expand(rho_dip_0, N_sl)
only store parameters that are needed during the simulation
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prm%v0 = math_expand(prm%v0, N_sl)
prm%b_sl = math_expand(prm%b_sl, N_sl)
prm%Delta_F = math_expand(prm%Delta_F, N_sl)
prm%CLambdaSlip = math_expand(prm%CLambdaSlip, N_sl)
prm%p = math_expand(prm%p, N_sl)
prm%q = math_expand(prm%q, N_sl)
prm%B = math_expand(prm%B, N_sl)
style unification, no enums for output
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! sanity checks
if ( prm%D0 <= 0.0_pReal) extmsg = trim(extmsg)//' D0'
if ( prm%Qsd <= 0.0_pReal) extmsg = trim(extmsg)//' Qsd'
works for elasticity only
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if (any(rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_mob_0'
if (any(rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_dip_0'
fixing indentation always 2 spaces, not 1 for the first level
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if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v0'
if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl'
if (any(prm%Delta_F <= 0.0_pReal)) extmsg = trim(extmsg)//' Delta_F'
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%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'
else slipActive
works for elasticity only
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rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray
allocate(prm%b_sl,prm%Delta_F,prm%v0,prm%CLambdaSlip,prm%p,prm%q,prm%B,source=emptyRealArray)
allocate(prm%forestProjection(0,0),prm%h_sl_sl(0,0))
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endif slipActive
style unification, no enums for output
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using central functionality
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!--------------------------------------------------------------------------------------------------
! twin related parameters
only store parameters that are needed during the simulation
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N_tw = config%getInts('ntwin', defaultVal=emptyIntArray)
handle most stupid case
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prm%sum_N_tw = sum(abs(N_tw))
works for elasticity only
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twinActive: if (prm%sum_N_tw > 0) then
only store parameters that are needed during the simulation
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prm%P_tw = lattice_SchmidMatrix_twin(N_tw,config%getString('lattice_structure'),&
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config%getFloat('c/a',defaultVal=0.0_pReal))
only store parameters that are needed during the simulation
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prm%h_tw_tw = lattice_interaction_TwinByTwin(N_tw,&
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config%getFloats('interaction_twintwin'), &
config%getString('lattice_structure'))
style unification, no enums for output
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only store parameters that are needed during the simulation
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prm%b_tw = config%getFloats('twinburgers', requiredSize=size(N_tw))
prm%t_tw = config%getFloats('twinsize', requiredSize=size(N_tw))
prm%r = config%getFloats('r_twin', requiredSize=size(N_tw))
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prm%xc_twin = config%getFloat('xc_twin')
prm%L_tw = config%getFloat('l0_twin')
prm%i_tw = config%getFloat('cmfptwin')
style unification, no enums for output
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only store parameters that are needed during the simulation
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prm%gamma_char= lattice_characteristicShear_Twin(N_tw,config%getString('lattice_structure'),&
fixing indentation always 2 spaces, not 1 for the first level
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config%getFloat('c/a',defaultVal=0.0_pReal))
style unification, no enums for output
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only store parameters that are needed during the simulation
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prm%C66_tw = lattice_C66_twin(N_tw,prm%C66,config%getString('lattice_structure'),&
fixing indentation always 2 spaces, not 1 for the first level
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config%getFloat('c/a',defaultVal=0.0_pReal))
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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if (.not. prm%fccTwinTransNucleation) then
style unification, no enums for output
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prm%dot_N_0_tw = config%getFloats('ndot0_twin')
only store parameters that are needed during the simulation
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prm%dot_N_0_tw = math_expand(prm%dot_N_0_tw,N_tw)
fixing indentation always 2 spaces, not 1 for the first level
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endif
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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! expand: family => system
only store parameters that are needed during the simulation
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prm%b_tw = math_expand(prm%b_tw,N_tw)
prm%t_tw = math_expand(prm%t_tw,N_tw)
prm%r = math_expand(prm%r,N_tw)
style unification, no enums for output
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only store parameters that are needed during the simulation
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! sanity checks
if ( prm%xc_twin < 0.0_pReal) extmsg = trim(extmsg)//' xc_twin'
if ( prm%L_tw < 0.0_pReal) extmsg = trim(extmsg)//' L_tw'
if ( prm%i_tw < 0.0_pReal) extmsg = trim(extmsg)//' i_tw'
if (any(prm%b_tw < 0.0_pReal)) extmsg = trim(extmsg)//' b_tw'
if (any(prm%t_tw < 0.0_pReal)) extmsg = trim(extmsg)//' t_tw'
if (any(prm%r < 0.0_pReal)) extmsg = trim(extmsg)//' r'
if (.not. prm%fccTwinTransNucleation) then
if (any(prm%dot_N_0_tw < 0.0_pReal)) extmsg = trim(extmsg)//' dot_N_0_tw'
endif
works for elasticity only
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else twinActive
allocate(prm%gamma_char,prm%b_tw,prm%dot_N_0_tw,prm%t_tw,prm%r,source=emptyRealArray)
allocate(prm%h_tw_tw(0,0))
endif twinActive
style unification, no enums for output
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sorting
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!--------------------------------------------------------------------------------------------------
! transformation related parameters
only store parameters that are needed during the simulation
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N_tr = config%getInts('ntrans', defaultVal=emptyIntArray)
handle most stupid case
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prm%sum_N_tr = sum(abs(N_tr))
works for elasticity only
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transActive: if (prm%sum_N_tr > 0) then
fixing indentation always 2 spaces, not 1 for the first level
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prm%b_tr = config%getFloats('transburgers')
only store parameters that are needed during the simulation
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prm%b_tr = math_expand(prm%b_tr,N_tr)
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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prm%h = config%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that???
only store parameters that are needed during the simulation
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prm%i_tr = config%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
fixing indentation always 2 spaces, not 1 for the first level
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prm%gamma_fcc_hex = config%getFloat('deltag')
only store parameters that are needed during the simulation
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prm%xc_trans = config%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that???
fixing indentation always 2 spaces, not 1 for the first level
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prm%L_tr = config%getFloat('l0_trans')
style unification, no enums for output
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only store parameters that are needed during the simulation
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prm%h_tr_tr = lattice_interaction_TransByTrans(N_tr,config%getFloats('interaction_transtrans'), &
config%getString('lattice_structure'))
style unification, no enums for output
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only store parameters that are needed during the simulation
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prm%C66_tr = lattice_C66_trans(N_tr,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))
style unification, no enums for output
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only store parameters that are needed during the simulation
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prm%P_tr = lattice_SchmidMatrix_trans(N_tr,config%getString('trans_lattice_structure'), &
0.0_pReal, &
config%getFloat('a_bcc', defaultVal=0.0_pReal), &
config%getFloat('a_fcc', defaultVal=0.0_pReal))
style unification, no enums for output
2020-02-14 13:53:09 +05:30
no need to prefix internal parameters also, use CAPITALS for parameters, but not for module prefixes (does not work for IO and HDF5 anyway)
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if (lattice_structure(p) /= lattice_FCC_ID) then
handle most stupid case
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prm%dot_N_0_tr = config%getFloats('ndot0_trans')
prm%dot_N_0_tr = math_expand(prm%dot_N_0_tr,N_tr)
fixing indentation always 2 spaces, not 1 for the first level
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endif
prm%t_tr = config%getFloats('lamellarsize')
only store parameters that are needed during the simulation
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prm%t_tr = math_expand(prm%t_tr,N_tr)
fixing indentation always 2 spaces, not 1 for the first level
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prm%s = config%getFloats('s_trans',defaultVal=[0.0_pReal])
only store parameters that are needed during the simulation
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prm%s = math_expand(prm%s,N_tr)
! sanity checks
if ( prm%xc_trans < 0.0_pReal) extmsg = trim(extmsg)//' xc_trans'
if ( prm%L_tr < 0.0_pReal) extmsg = trim(extmsg)//' L_tr'
if ( prm%i_tr < 0.0_pReal) extmsg = trim(extmsg)//' i_tr'
if (any(prm%t_tr < 0.0_pReal)) extmsg = trim(extmsg)//' t_tr'
if (any(prm%s < 0.0_pReal)) extmsg = trim(extmsg)//' s'
if (lattice_structure(p) /= lattice_FCC_ID) then
if (any(prm%dot_N_0_tr < 0.0_pReal)) extmsg = trim(extmsg)//' dot_N_0_tr'
endif
works for elasticity only
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else transActive
allocate(prm%s,prm%b_tr,prm%t_tr,prm%dot_N_0_tr,source=emptyRealArray)
fixing indentation always 2 spaces, not 1 for the first level
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allocate(prm%h_tr_tr(0,0))
works for elasticity only
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endif transActive
style unification, no enums for output
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sanity checks in more sensible order
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!--------------------------------------------------------------------------------------------------
! shearband related parameters
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prm%sbVelocity = config%getFloat('shearbandvelocity',defaultVal=0.0_pReal)
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if (prm%sbVelocity > 0.0_pReal) then
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prm%sbResistance = config%getFloat('shearbandresistance')
make consistency check
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prm%E_sb = config%getFloat('qedgepersbsystem')
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prm%p_sb = config%getFloat('p_shearband')
prm%q_sb = config%getFloat('q_shearband')
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! sanity checks
if (prm%sbResistance < 0.0_pReal) extmsg = trim(extmsg)//' shearbandresistance'
make consistency check
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if (prm%E_sb < 0.0_pReal) extmsg = trim(extmsg)//' qedgepersbsystem'
fixing indentation always 2 spaces, not 1 for the first level
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if (prm%p_sb <= 0.0_pReal) extmsg = trim(extmsg)//' p_shearband'
if (prm%q_sb <= 0.0_pReal) extmsg = trim(extmsg)//' q_shearband'
endif
style unification, no enums for output
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works for elasticity only
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!--------------------------------------------------------------------------------------------------
! parameters required for several mechanisms and their interactions
if(prm%sum_N_sl + prm%sum_N_tw + prm%sum_N_tw > 0) &
prm%D = config%getFloat('grainsize')
twinOrSlipActive: if (prm%sum_N_tw + prm%sum_N_tr > 0) then
prm%SFE_0K = config%getFloat('sfe_0k')
prm%dSFE_dT = config%getFloat('dsfe_dt')
prm%V_cs = config%getFloat('vcrossslip')
endif twinOrSlipActive
slipAndTwinActive: if (prm%sum_N_sl * prm%sum_N_tw > 0) then
prm%h_sl_tw = lattice_interaction_SlipByTwin(N_sl,N_tw,&
config%getFloats('interaction_sliptwin'), &
config%getString('lattice_structure'))
if (prm%fccTwinTransNucleation .and. size(N_tw) /= 1) extmsg = trim(extmsg)//' interaction_sliptwin'
endif slipAndTwinActive
slipAndTransActive: if (prm%sum_N_sl * prm%sum_N_tr > 0) then
prm%h_sl_tr = lattice_interaction_SlipByTrans(N_sl,N_tr,&
config%getFloats('interaction_sliptrans'), &
config%getString('lattice_structure'))
if (prm%fccTwinTransNucleation .and. size(N_tr) /= 1) extmsg = trim(extmsg)//' interaction_sliptrans'
endif slipAndTransActive
style unification, no enums for output
2020-02-14 13:53:09 +05:30
changed to new state, please report bugs to Luv or Martin
2014-07-02 17:57:39 +05:30
!--------------------------------------------------------------------------------------------------
! allocate state arrays
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NipcMyPhase = count(material_phaseAt == p) * discretization_nIP
sizeDotState = size(['rho_mob ','rho_dip ','gamma_sl']) * prm%sum_N_sl &
+ size(['f_tw']) * prm%sum_N_tw &
+ size(['f_tr']) * prm%sum_N_tr
sizeState = sizeDotState
style unification, no enums for output
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merge functionality
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call material_allocateState(plasticState(p),NipcMyPhase,sizeState,sizeDotState,0)
style unification, no enums for output
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mutual unification
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!--------------------------------------------------------------------------------------------------
atol is part of the state structure, no need for suffix
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! locally defined state aliases and initialization of state0 and atol
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startIndex = 1
endIndex = prm%sum_N_sl
stt%rho_mob=>plasticState(p)%state(startIndex:endIndex,:)
works for elasticity only
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stt%rho_mob= spread(rho_mob_0,2,NipcMyPhase)
fixing indentation always 2 spaces, not 1 for the first level
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dot%rho_mob=>plasticState(p)%dotState(startIndex:endIndex,:)
only store parameters that are needed during the simulation
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plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_rho',defaultVal=1.0_pReal)
if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
stt%rho_dip=>plasticState(p)%state(startIndex:endIndex,:)
works for elasticity only
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stt%rho_dip= spread(rho_dip_0,2,NipcMyPhase)
fixing indentation always 2 spaces, not 1 for the first level
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dot%rho_dip=>plasticState(p)%dotState(startIndex:endIndex,:)
only store parameters that are needed during the simulation
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plasticState(p)%atol(startIndex:endIndex) = config%getFloat('atol_rho',defaultVal=1.0_pReal)
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
stt%gamma_sl=>plasticState(p)%state(startIndex:endIndex,:)
dot%gamma_sl=>plasticState(p)%dotState(startIndex:endIndex,:)
useful defaults
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plasticState(p)%atol(startIndex:endIndex) = 1.0e-2_pReal
fixing indentation always 2 spaces, not 1 for the first level
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! global alias
plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_tw
stt%f_tw=>plasticState(p)%state(startIndex:endIndex,:)
dot%f_tw=>plasticState(p)%dotState(startIndex:endIndex,:)
only store parameters that are needed during the simulation
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plasticState(p)%atol(startIndex:endIndex) = config%getFloat('f_twin',defaultVal=1.0e-7_pReal)
if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' f_twin'
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_tr
stt%f_tr=>plasticState(p)%state(startIndex:endIndex,:)
dot%f_tr=>plasticState(p)%dotState(startIndex:endIndex,:)
only store parameters that are needed during the simulation
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plasticState(p)%atol(startIndex:endIndex) = config%getFloat('f_trans',defaultVal=1.0e-6_pReal)
if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' f_trans'
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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allocate(dst%Lambda_sl (prm%sum_N_sl,NipcMyPhase),source=0.0_pReal)
allocate(dst%tau_pass (prm%sum_N_sl,NipcMyPhase),source=0.0_pReal)
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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allocate(dst%Lambda_tw (prm%sum_N_tw,NipcMyPhase),source=0.0_pReal)
allocate(dst%tau_hat_tw (prm%sum_N_tw,NipcMyPhase),source=0.0_pReal)
allocate(dst%tau_r_tw (prm%sum_N_tw,NipcMyPhase),source=0.0_pReal)
allocate(dst%V_tw (prm%sum_N_tw,NipcMyPhase),source=0.0_pReal)
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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allocate(dst%Lambda_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal)
allocate(dst%tau_hat_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal)
allocate(dst%tau_r_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal)
allocate(dst%V_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal)
style unification, no enums for output
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make consistency check
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plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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end associate
style unification, no enums for output
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make consistency check
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!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'('//PLASTICITY_DISLOTWIN_LABEL//')')
fixing indentation always 2 spaces, not 1 for the first level
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enddo
mutual unification
2019-01-27 16:07:50 +05:30
many imported functions not used anymore, moving parameters to structure
2018-08-03 11:00:09 +05:30
end subroutine plastic_dislotwin_init
updated to read in TRIP parameters
2014-07-22 13:13:03 +05:30
mutual unification
2019-01-27 16:07:50 +05:30
added doxygen documentation and unified variable names and some common parts of the code
2013-10-08 21:57:26 +05:30
!--------------------------------------------------------------------------------------------------
style unification, no enums for output
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!> @brief Return the homogenized elasticity matrix.
added doxygen documentation and unified variable names and some common parts of the code
2013-10-08 21:57:26 +05:30
!--------------------------------------------------------------------------------------------------
migrating to submodules
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module function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC)
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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real(pReal), dimension(6,6) :: &
homogenizedC
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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integer :: i, &
of
real(pReal) :: f_unrotated
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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of = material_phasememberAt(ipc,ip,el)
associate(prm => param(phase_plasticityInstance(material_phaseAt(ipc,el))),&
stt => state(phase_plasticityInstance(material_phaseAT(ipc,el))))
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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f_unrotated = 1.0_pReal &
- sum(stt%f_tw(1:prm%sum_N_tw,of)) &
- sum(stt%f_tr(1:prm%sum_N_tr,of))
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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homogenizedC = f_unrotated * prm%C66
do i=1,prm%sum_N_tw
homogenizedC = homogenizedC &
+ stt%f_tw(i,of)*prm%C66_tw(1:6,1:6,i)
enddo
do i=1,prm%sum_N_tr
homogenizedC = homogenizedC &
+ stt%f_tr(i,of)*prm%C66_tr(1:6,1:6,i)
enddo
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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end associate
style unification, no enums for output
2020-02-14 13:53:09 +05:30
shortened
2019-01-27 16:45:11 +05:30
end function plastic_dislotwin_homogenizedC
don't know what happend to the copyright note
2018-09-06 03:11:35 +05:30
added doxygen documentation and unified variable names and some common parts of the code
2013-10-08 21:57:26 +05:30
!--------------------------------------------------------------------------------------------------
style unification, no enums for output
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!> @brief Calculate plastic velocity gradient and its tangent.
added doxygen documentation and unified variable names and some common parts of the code
2013-10-08 21:57:26 +05:30
!--------------------------------------------------------------------------------------------------
migrating to submodules
2019-12-03 02:21:25 +05:30
module subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,instance,of)
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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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, intent(in) :: instance,of
real(pReal), intent(in) :: T
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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integer :: i,k,l,m,n
real(pReal) :: &
f_unrotated,StressRatio_p,&
BoltzmannRatio, &
ddot_gamma_dtau, &
tau
real(pReal), dimension(param(instance)%sum_N_sl) :: &
[skip ci] adjusting to disloUCLA
2019-03-22 16:02:55 +05:30
dot_gamma_sl,ddot_gamma_dtau_slip
fixing indentation always 2 spaces, not 1 for the first level
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real(pReal), dimension(param(instance)%sum_N_tw) :: &
[skip ci] adjusting to disloUCLA
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dot_gamma_twin,ddot_gamma_dtau_twin
fixing indentation always 2 spaces, not 1 for the first level
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real(pReal), dimension(param(instance)%sum_N_tr) :: &
[skip ci] adjusting to disloUCLA
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dot_gamma_tr,ddot_gamma_dtau_trans
fixing indentation always 2 spaces, not 1 for the first level
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real(pReal):: dot_gamma_sb
real(pReal), dimension(3,3) :: eigVectors, P_sb
real(pReal), dimension(3) :: eigValues
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])
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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associate(prm => param(instance), stt => state(instance))
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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f_unrotated = 1.0_pReal &
- sum(stt%f_tw(1:prm%sum_N_tw,of)) &
- sum(stt%f_tr(1:prm%sum_N_tr,of))
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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Lp = 0.0_pReal
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dLp_dMp = 0.0_pReal
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call kinetics_slip(Mp,T,instance,of,dot_gamma_sl,ddot_gamma_dtau_slip)
slipContribution: do i = 1, prm%sum_N_sl
Lp = Lp + dot_gamma_sl(i)*prm%P_sl(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
+ ddot_gamma_dtau_slip(i) * prm%P_sl(k,l,i) * prm%P_sl(m,n,i)
enddo slipContribution
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intention clearer slip/twin/trans happens in untwinned/untransformed volume, shear banding is independent of that
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call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_twin,ddot_gamma_dtau_twin)
twinContibution: do i = 1, prm%sum_N_tw
Lp = Lp + dot_gamma_twin(i)*prm%P_tw(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
+ ddot_gamma_dtau_twin(i)* prm%P_tw(k,l,i)*prm%P_tw(m,n,i)
enddo twinContibution
call kinetics_trans(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr,ddot_gamma_dtau_trans)
transContibution: do i = 1, prm%sum_N_tr
Lp = Lp + dot_gamma_tr(i)*prm%P_tr(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
+ ddot_gamma_dtau_trans(i)* prm%P_tr(k,l,i)*prm%P_tr(m,n,i)
enddo transContibution
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Lp = Lp * f_unrotated
dLp_dMp = dLp_dMp * f_unrotated
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shearBandingContribution: if(dNeq0(prm%sbVelocity)) then
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make consistency check
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BoltzmannRatio = prm%E_sb/(kB*T)
polishing
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call math_eigh33(eigValues,eigVectors,Mp) ! is Mp symmetric by design?
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do i = 1,6
P_sb = 0.5_pReal * math_outer(matmul(eigVectors,sb_sComposition(1:3,i)),&
matmul(eigVectors,sb_mComposition(1:3,i)))
numpy name
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tau = math_tensordot(Mp,P_sb)
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significantShearBandStress: if (abs(tau) > tol_math_check) then
StressRatio_p = (abs(tau)/prm%sbResistance)**prm%p_sb
dot_gamma_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1-StressRatio_p)**prm%q_sb), tau)
ddot_gamma_dtau = abs(dot_gamma_sb)*BoltzmannRatio* prm%p_sb*prm%q_sb/ prm%sbResistance &
* (abs(tau)/prm%sbResistance)**(prm%p_sb-1.0_pReal) &
* (1.0_pReal-StressRatio_p)**(prm%q_sb-1.0_pReal)
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Lp = Lp + dot_gamma_sb * P_sb
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
+ ddot_gamma_dtau * P_sb(k,l) * P_sb(m,n)
endif significantShearBandStress
enddo
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endif shearBandingContribution
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end associate
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changed constitutive_* prefix for plasticity laws to plastic_* to be consistent with novel thermal_, damage_, vacancy_, etc. laws.
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end subroutine plastic_dislotwin_LpAndItsTangent
sorry, last version did not compile. now with correct encoding.
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added doxygen documentation and unified variable names and some common parts of the code
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!--------------------------------------------------------------------------------------------------
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!> @brief Calculate the rate of change of microstructure.
added doxygen documentation and unified variable names and some common parts of the code
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!--------------------------------------------------------------------------------------------------
migrating to submodules
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module subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
sorry, last version did not compile. now with correct encoding.
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real(pReal), dimension(3,3), intent(in):: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T !< temperature at integration point
integer, intent(in) :: &
instance, &
of
integer :: i
real(pReal) :: &
f_unrotated, &
rho_dip_distance, &
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v_cl, & !< climb velocity
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Gamma, & !< stacking fault energy
tau, &
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sigma_cl, & !< climb stress
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b_d !< ratio of burgers vector to stacking fault width
real(pReal), dimension(param(instance)%sum_N_sl) :: &
dot_rho_dip_formation, &
dot_rho_dip_climb, &
rho_dip_distance_min, &
dot_gamma_sl
real(pReal), dimension(param(instance)%sum_N_tw) :: &
dot_gamma_twin
real(pReal), dimension(param(instance)%sum_N_tr) :: &
dot_gamma_tr
simplified dotState
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associate(prm => param(instance), stt => state(instance), &
dot => dotState(instance), dst => dependentState(instance))
simplified dotState
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f_unrotated = 1.0_pReal &
- sum(stt%f_tw(1:prm%sum_N_tw,of)) &
- sum(stt%f_tr(1:prm%sum_N_tr,of))
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call kinetics_slip(Mp,T,instance,of,dot_gamma_sl)
dot%gamma_sl(:,of) = abs(dot_gamma_sl)
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rho_dip_distance_min = prm%CEdgeDipMinDistance*prm%b_sl
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slipState: do i = 1, prm%sum_N_sl
numpy name
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tau = math_tensordot(Mp,prm%P_sl(1:3,1:3,i))
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significantSlipStress: if (dEq0(tau)) then
dot_rho_dip_formation(i) = 0.0_pReal
dot_rho_dip_climb(i) = 0.0_pReal
else significantSlipStress
rho_dip_distance = 3.0_pReal*prm%mu*prm%b_sl(i)/(16.0_pReal*PI*abs(tau))
rho_dip_distance = math_clip(rho_dip_distance, right = dst%Lambda_sl(i,of))
rho_dip_distance = math_clip(rho_dip_distance, left = rho_dip_distance_min(i))
if (prm%dipoleFormation) then
dot_rho_dip_formation(i) = 2.0_pReal*(rho_dip_distance-rho_dip_distance_min(i))/prm%b_sl(i) &
* stt%rho_mob(i,of)*abs(dot_gamma_sl(i))
else
dot_rho_dip_formation(i) = 0.0_pReal
endif
if (dEq(rho_dip_distance,rho_dip_distance_min(i))) then
dot_rho_dip_climb(i) = 0.0_pReal
else
!@details: Refer: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
sigma_cl = dot_product(prm%n0_sl(1:3,i),matmul(Mp,prm%n0_sl(1:3,i)))
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if (prm%ExtendedDislocations) then
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Gamma = prm%SFE_0K + prm%dSFE_dT * T
b_d = 24.0_pReal*PI*(1.0_pReal - prm%nu)/(2.0_pReal + prm%nu)* Gamma/(prm%mu*prm%b_sl(i))
else
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b_d = 1.0_pReal
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endif
v_cl = 2.0_pReal*prm%omega*b_d**2.0_pReal*exp(-prm%Qsd/(kB*T)) &
* (exp(abs(sigma_cl)*prm%b_sl(i)**3.0_pReal/(kB*T)) - 1.0_pReal)
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dot_rho_dip_climb(i) = 4.0_pReal*v_cl*stt%rho_dip(i,of) &
/ (rho_dip_distance-rho_dip_distance_min(i))
endif
endif significantSlipStress
enddo slipState
dot%rho_mob(:,of) = abs(dot_gamma_sl)/(prm%b_sl*dst%Lambda_sl(:,of)) &
- dot_rho_dip_formation &
- 2.0_pReal*rho_dip_distance_min/prm%b_sl * stt%rho_mob(:,of)*abs(dot_gamma_sl)
dot%rho_dip(:,of) = dot_rho_dip_formation &
- 2.0_pReal*rho_dip_distance_min/prm%b_sl * stt%rho_dip(:,of)*abs(dot_gamma_sl) &
- dot_rho_dip_climb
call kinetics_twin(Mp,T,dot_gamma_sl,instance,of,dot_gamma_twin)
dot%f_tw(:,of) = f_unrotated*dot_gamma_twin/prm%gamma_char
call kinetics_trans(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr)
dot%f_tr(:,of) = f_unrotated*dot_gamma_tr
general polishing
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end associate
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changed constitutive_* prefix for plasticity laws to plastic_* to be consistent with novel thermal_, damage_, vacancy_, etc. laws.
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end subroutine plastic_dislotwin_dotState
sorry, last version did not compile. now with correct encoding.
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introduced kinetics, not in use yet
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following example of disloUCLA
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!--------------------------------------------------------------------------------------------------
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!> @brief Calculate derived quantities from state.
following example of disloUCLA
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!--------------------------------------------------------------------------------------------------
migrating to submodules
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module subroutine plastic_dislotwin_dependentState(T,instance,of)
following example of disloUCLA
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integer, intent(in) :: &
instance, &
of
real(pReal), intent(in) :: &
T
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real(pReal) :: &
sumf_twin,Gamma,sumf_trans
real(pReal), dimension(param(instance)%sum_N_sl) :: &
inv_lambda_sl_sl, & !< 1/mean free distance between 2 forest dislocations seen by a moving dislocation
inv_lambda_sl_tw, & !< 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation
inv_lambda_sl_tr !< 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation
real(pReal), dimension(param(instance)%sum_N_tw) :: &
inv_lambda_tw_tw, & !< 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
f_over_t_tw
real(pReal), dimension(param(instance)%sum_N_tr) :: &
inv_lambda_tr_tr, & !< 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite
f_over_t_tr
real(pReal), dimension(:), allocatable :: &
x0
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associate(prm => param(instance),&
stt => state(instance),&
dst => dependentState(instance))
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sumf_twin = sum(stt%f_tw(1:prm%sum_N_tw,of))
sumf_trans = sum(stt%f_tr(1:prm%sum_N_tr,of))
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Gamma = prm%SFE_0K + prm%dSFE_dT * T
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!* rescaled volume fraction for topology
works for elasticity only
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f_over_t_tw = stt%f_tw(1:prm%sum_N_tw,of)/prm%t_tw ! this is per system ...
f_over_t_tr = sumf_trans/prm%t_tr ! but this not
! ToDo ...Physically correct, but naming could be adjusted
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inv_lambda_sl_sl = sqrt(matmul(prm%forestProjection, &
stt%rho_mob(:,of)+stt%rho_dip(:,of)))/prm%CLambdaSlip
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if (prm%sum_N_tw > 0 .and. prm%sum_N_sl > 0) &
inv_lambda_sl_tw = matmul(prm%h_sl_tw,f_over_t_tw)/(1.0_pReal-sumf_twin)
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inv_lambda_tw_tw = matmul(prm%h_tw_tw,f_over_t_tw)/(1.0_pReal-sumf_twin)
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if (prm%sum_N_tr > 0 .and. prm%sum_N_sl > 0) &
inv_lambda_sl_tr = matmul(prm%h_sl_tr,f_over_t_tr)/(1.0_pReal-sumf_trans)
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inv_lambda_tr_tr = matmul(prm%h_tr_tr,f_over_t_tr)/(1.0_pReal-sumf_trans)
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works for elasticity only
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if ((prm%sum_N_tw > 0) .or. (prm%sum_N_tr > 0)) then ! ToDo: better logic needed here
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dst%Lambda_sl(:,of) = prm%D &
/ (1.0_pReal+prm%D*(inv_lambda_sl_sl + inv_lambda_sl_tw + inv_lambda_sl_tr))
else
dst%Lambda_sl(:,of) = prm%D &
/ (1.0_pReal+prm%D*inv_lambda_sl_sl) !!!!!! correct?
endif
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dst%Lambda_tw(:,of) = prm%i_tw*prm%D/(1.0_pReal+prm%D*inv_lambda_tw_tw)
dst%Lambda_tr(:,of) = prm%i_tr*prm%D/(1.0_pReal+prm%D*inv_lambda_tr_tr)
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!* threshold stress for dislocation motion
dst%tau_pass(:,of) = prm%mu*prm%b_sl* sqrt(matmul(prm%h_sl_sl,stt%rho_mob(:,of)+stt%rho_dip(:,of)))
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!* threshold stress for growing twin/martensite
if(prm%sum_N_tw == prm%sum_N_sl) &
dst%tau_hat_tw(:,of) = Gamma/(3.0_pReal*prm%b_tw) &
+ 3.0_pReal*prm%b_tw*prm%mu/(prm%L_tw*prm%b_sl) ! slip burgers here correct?
if(prm%sum_N_tr == prm%sum_N_sl) &
dst%tau_hat_tr(:,of) = Gamma/(3.0_pReal*prm%b_tr) &
+ 3.0_pReal*prm%b_tr*prm%mu/(prm%L_tr*prm%b_sl) & ! slip burgers here correct?
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+ prm%h*prm%gamma_fcc_hex/ (3.0_pReal*prm%b_tr)
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dst%V_tw(:,of) = (PI/4.0_pReal)*prm%t_tw*dst%Lambda_tw(:,of)**2.0_pReal
dst%V_tr(:,of) = (PI/4.0_pReal)*prm%t_tr*dst%Lambda_tr(:,of)**2.0_pReal
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works for elasticity only
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x0 = prm%mu*prm%b_tw**2.0_pReal/(Gamma*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip and is the same for twin and trans
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dst%tau_r_tw(:,of) = prm%mu*prm%b_tw/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0)
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works for elasticity only
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x0 = prm%mu*prm%b_tr**2.0_pReal/(Gamma*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip
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dst%tau_r_tr(:,of) = prm%mu*prm%b_tr/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0)
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end associate
simplified
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following example of disloUCLA
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end subroutine plastic_dislotwin_dependentState
dummy HDF5 output for all plasticity laws
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!--------------------------------------------------------------------------------------------------
style unification, no enums for output
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!> @brief Write results to HDF5 output file.
dummy HDF5 output for all plasticity laws
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!--------------------------------------------------------------------------------------------------
migrating to submodules
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module subroutine plastic_dislotwin_results(instance,group)
dummy HDF5 output for all plasticity laws
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migrating to submodules
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integer, intent(in) :: instance
character(len=*), intent(in) :: group
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dummy HDF5 output for all plasticity laws
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integer :: o
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associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case('rho_mob')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_mob,'rho_mob',&
'mobile dislocation density','1/m²')
case('rho_dip')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_dip,'rho_dip',&
bugfix: invalid description/unit
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'dislocation dipole density','1/m²')
style unification, no enums for output
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case('gamma_sl')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%gamma_sl,'gamma_sl',&
'plastic shear','1')
case('lambda_sl')
if(prm%sum_N_sl>0) call results_writeDataset(group,dst%Lambda_sl,'Lambda_sl',&
'mean free path for slip','m')
case('tau_pass')
if(prm%sum_N_sl>0) call results_writeDataset(group,dst%tau_pass,'tau_pass',&
'passing stress for slip','Pa')
case('f_tw')
if(prm%sum_N_tw>0) call results_writeDataset(group,stt%f_tw,'f_tw',&
'twinned volume fraction','m³/m³')
case('lambda_tw')
if(prm%sum_N_tw>0) call results_writeDataset(group,dst%Lambda_tw,'Lambda_tw',&
'mean free path for twinning','m')
case('tau_hat_tw')
if(prm%sum_N_tw>0) call results_writeDataset(group,dst%tau_hat_tw,'tau_hat_tw',&
'threshold stress for twinning','Pa')
case('f_tr')
if(prm%sum_N_tr>0) call results_writeDataset(group,stt%f_tr,'f_tr',&
'martensite volume fraction','m³/m³')
dummy HDF5 output for all plasticity laws
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end select
enddo outputsLoop
end associate
end subroutine plastic_dislotwin_results
introduced kinetics, not in use yet
2018-09-12 16:55:18 +05:30
!--------------------------------------------------------------------------------------------------
style unification, no enums for output
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!> @brief Calculate shear rates on slip systems, their derivatives with respect to resolved
! stress, and the resolved stress.
signature as in disloUCLA
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!> @details Derivatives and resolved stress are calculated only optionally.
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end
introduced kinetics, not in use yet
2018-09-12 16:55:18 +05:30
!--------------------------------------------------------------------------------------------------
more renames
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pure subroutine kinetics_slip(Mp,T,instance,of, &
[skip ci] adjusting to disloUCLA
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dot_gamma_sl,ddot_gamma_dtau_slip,tau_slip)
introduced kinetics, not in use yet
2018-09-12 16:55:18 +05:30
fixing indentation always 2 spaces, not 1 for the first level
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real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T !< temperature
integer, intent(in) :: &
instance, &
of
style unification, no enums for output
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real(pReal), dimension(param(instance)%sum_N_sl), intent(out) :: &
dot_gamma_sl
real(pReal), dimension(param(instance)%sum_N_sl), optional, intent(out) :: &
ddot_gamma_dtau_slip, &
tau_slip
real(pReal), dimension(param(instance)%sum_N_sl) :: &
ddot_gamma_dtau
style unification, no enums for output
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real(pReal), dimension(param(instance)%sum_N_sl) :: &
tau, &
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
style unification, no enums for output
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integer :: i
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associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
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fixing indentation always 2 spaces, not 1 for the first level
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do i = 1, prm%sum_N_sl
numpy name
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tau(i) = math_tensordot(Mp,prm%P_sl(1:3,1:3,i))
fixing indentation always 2 spaces, not 1 for the first level
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enddo
style unification, no enums for output
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tau_eff = abs(tau)-dst%tau_pass(:,of)
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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significantStress: where(tau_eff > tol_math_check)
stressRatio = tau_eff/prm%tau_0
StressRatio_p = stressRatio** prm%p
BoltzmannRatio = prm%Delta_F/(kB*T)
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%b_sl)
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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dot_gamma_sl = sign(stt%rho_mob(:,of)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau)
style unification, no enums for output
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dV_wait_inverse_dTau = -1.0_pReal * 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%tau_0
dV_run_inverse_dTau = -1.0_pReal * v_run_inverse/tau_eff
dV_dTau = -1.0_pReal * (dV_wait_inverse_dTau+dV_run_inverse_dTau) &
/ (v_wait_inverse+v_run_inverse)**2.0_pReal
ddot_gamma_dtau = dV_dTau*stt%rho_mob(:,of)*prm%b_sl
else where significantStress
dot_gamma_sl = 0.0_pReal
ddot_gamma_dtau = 0.0_pReal
end where significantStress
style unification, no enums for output
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end associate
style unification, no enums for output
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if(present(ddot_gamma_dtau_slip)) ddot_gamma_dtau_slip = ddot_gamma_dtau
if(present(tau_slip)) tau_slip = tau
style unification, no enums for output
2020-02-14 13:53:09 +05:30
mean velocity of dislocation corrected for higher temperatures - v_wait: obstacle spacing over waiting time (effective velocity) - v_run: 'true' velocity of a dislocation moving between obstacles for higher temperatures v_run becomes important and bounds the velocity
2018-10-02 19:26:18 +05:30
end subroutine kinetics_slip
passing in instance and of is much easier also using always the full Mandel stress tensor to avoid repeated conversion
2018-10-02 01:44:54 +05:30
avoid code doubling shear rates needed multiple times. For now, just introduced but not used. Will become active once the test passes again
2018-09-13 01:37:59 +05:30
!--------------------------------------------------------------------------------------------------
style unification, no enums for output
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!> @brief Calculate shear rates on twin systems and their derivatives with respect to resolved
! stress.
!> @details Derivatives are calculated only optionally.
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end.
avoid code doubling shear rates needed multiple times. For now, just introduced but not used. Will become active once the test passes again
2018-09-13 01:37:59 +05:30
!--------------------------------------------------------------------------------------------------
more renames
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pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,&
[skip ci] adjusting to disloUCLA
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dot_gamma_twin,ddot_gamma_dtau_twin)
avoid code doubling shear rates needed multiple times. For now, just introduced but not used. Will become active once the test passes again
2018-09-13 01:37:59 +05:30
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T !< temperature
integer, intent(in) :: &
instance, &
of
real(pReal), dimension(param(instance)%sum_N_sl), intent(in) :: &
dot_gamma_sl
style unification, no enums for output
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real(pReal), dimension(param(instance)%sum_N_tw), intent(out) :: &
dot_gamma_twin
real(pReal), dimension(param(instance)%sum_N_tw), optional, intent(out) :: &
ddot_gamma_dtau_twin
style unification, no enums for output
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real, dimension(param(instance)%sum_N_tw) :: &
tau, &
Ndot0, &
stressRatio_r, &
ddot_gamma_dtau
style unification, no enums for output
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integer :: i,s1,s2
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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do i = 1, prm%sum_N_tw
numpy name
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tau(i) = math_tensordot(Mp,prm%P_tw(1:3,1:3,i))
fixing indentation always 2 spaces, not 1 for the first level
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isFCC: if (prm%fccTwinTransNucleation) then
s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau(i) < dst%tau_r_tw(i,of)) then ! ToDo: correct?
Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,of)+stt%rho_dip(s2,of))+&
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,of)+stt%rho_dip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state
(prm%L_tw*prm%b_sl(i))*&
(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tw(i,of)-tau(i)))) ! P_ncs
else
Ndot0=0.0_pReal
end if
else isFCC
Ndot0=prm%dot_N_0_tw(i)
endif isFCC
enddo
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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significantStress: where(tau > tol_math_check)
StressRatio_r = (dst%tau_hat_tw(:,of)/tau)**prm%r
dot_gamma_twin = prm%gamma_char * dst%V_tw(:,of) * Ndot0*exp(-StressRatio_r)
ddot_gamma_dtau = (dot_gamma_twin*prm%r/tau)*StressRatio_r
else where significantStress
dot_gamma_twin = 0.0_pReal
ddot_gamma_dtau = 0.0_pReal
end where significantStress
style unification, no enums for output
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end associate
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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if(present(ddot_gamma_dtau_twin)) ddot_gamma_dtau_twin = ddot_gamma_dtau
introduced kinetics, not in use yet
2018-09-12 16:55:18 +05:30
mean velocity of dislocation corrected for higher temperatures - v_wait: obstacle spacing over waiting time (effective velocity) - v_run: 'true' velocity of a dislocation moving between obstacles for higher temperatures v_run becomes important and bounds the velocity
2018-10-02 19:26:18 +05:30
end subroutine kinetics_twin
avoid code doubling shear rates needed multiple times. For now, just introduced but not used. Will become active once the test passes again
2018-09-13 01:37:59 +05:30
simplified
2019-01-28 00:14:53 +05:30
kinetics also for trans
2018-09-15 14:13:05 +05:30
!--------------------------------------------------------------------------------------------------
style unification, no enums for output
2020-02-14 13:53:09 +05:30
!> @brief Calculate shear rates on transformation systems and their derivatives with respect to
! resolved stress.
!> @details Derivatives are calculated only optionally.
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end.
kinetics also for trans
2018-09-15 14:13:05 +05:30
!--------------------------------------------------------------------------------------------------
more renames
2019-03-21 02:21:52 +05:30
pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
[skip ci] adjusting to disloUCLA
2019-03-22 16:02:55 +05:30
dot_gamma_tr,ddot_gamma_dtau_trans)
kinetics also for trans
2018-09-15 14:13:05 +05:30
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T !< temperature
integer, intent(in) :: &
instance, &
of
real(pReal), dimension(param(instance)%sum_N_sl), intent(in) :: &
dot_gamma_sl
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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real(pReal), dimension(param(instance)%sum_N_tr), intent(out) :: &
dot_gamma_tr
real(pReal), dimension(param(instance)%sum_N_tr), optional, intent(out) :: &
ddot_gamma_dtau_trans
style unification, no enums for output
2020-02-14 13:53:09 +05:30
fixing indentation always 2 spaces, not 1 for the first level
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real, dimension(param(instance)%sum_N_tr) :: &
tau, &
Ndot0, &
stressRatio_s, &
ddot_gamma_dtau
style unification, no enums for output
2020-02-14 13:53:09 +05:30
fixing indentation always 2 spaces, not 1 for the first level
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integer :: i,s1,s2
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
style unification, no enums for output
2020-02-14 13:53:09 +05:30
fixing indentation always 2 spaces, not 1 for the first level
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do i = 1, prm%sum_N_tr
numpy name
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tau(i) = math_tensordot(Mp,prm%P_tr(1:3,1:3,i))
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
isFCC: if (prm%fccTwinTransNucleation) then
s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau(i) < dst%tau_r_tr(i,of)) then ! ToDo: correct?
Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,of)+stt%rho_dip(s2,of))+&
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,of)+stt%rho_dip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state
(prm%L_tr*prm%b_sl(i))*&
(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tr(i,of)-tau(i)))) ! P_ncs
else
Ndot0=0.0_pReal
end if
else isFCC
Ndot0=prm%dot_N_0_tr(i)
endif isFCC
enddo
style unification, no enums for output
2020-02-14 13:53:09 +05:30
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
significantStress: where(tau > tol_math_check)
StressRatio_s = (dst%tau_hat_tr(:,of)/tau)**prm%s
dot_gamma_tr = dst%V_tr(:,of) * Ndot0*exp(-StressRatio_s)
ddot_gamma_dtau = (dot_gamma_tr*prm%s/tau)*StressRatio_s
else where significantStress
dot_gamma_tr = 0.0_pReal
ddot_gamma_dtau = 0.0_pReal
end where significantStress
style unification, no enums for output
2020-02-14 13:53:09 +05:30
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
end associate
style unification, no enums for output
2020-02-14 13:53:09 +05:30
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
if(present(ddot_gamma_dtau_trans)) ddot_gamma_dtau_trans = ddot_gamma_dtau
simplified
2019-01-28 00:14:53 +05:30
mean velocity of dislocation corrected for higher temperatures - v_wait: obstacle spacing over waiting time (effective velocity) - v_run: 'true' velocity of a dislocation moving between obstacles for higher temperatures v_run becomes important and bounds the velocity
2018-10-02 19:26:18 +05:30
end subroutine kinetics_trans
use of kinetics avoids different calculation of shearrates
2018-09-15 11:54:12 +05:30
migrating to submodules
2019-12-03 02:21:25 +05:30
end submodule plastic_dislotwin