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DAMASK_EICMD
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using wrong default for dipole formation
2018-07-06 22:27:37 +05:30
!--------------------------------------------------------------------------------------------------
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
2013-10-08 21:57:26 +05:30
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief material subroutine incoprorating dislocation and twinning physics
!> @details to be done
!--------------------------------------------------------------------------------------------------
[skip sc] more systematic naming module name 'damagee' gets extra e for the moment to avoid conflict with global variable 'damage'
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submodule(phase:plastic) dislotwin
style unification, no enums for output
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real(pReal), parameter :: &
fixing indentation always 2 spaces, not 1 for the first level
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kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
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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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
continue with parameter name change Names with conflicts not changed yet
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D_0 = 1.0_pReal, & !< prefactor for self-diffusion coefficient
Q_cl = 1.0_pReal, & !< activation energy for dislocation climb
works for elasticity only
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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
continue with parameter name change Names with conflicts not changed yet
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D_a = 1.0_pReal, & !< adjustment parameter to calculate minimum dipole distance
Restructuring for material.yaml
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i_tw = 1.0_pReal, & !< adjustment parameter to calculate MFP for twinning
works for elasticity only
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L_tw = 1.0_pReal, & !< Length of twin nuclei in Burgers vectors
L_tr = 1.0_pReal, & !< Length of trans nuclei in Burgers vectors
continue with parameter name change Names with conflicts not changed yet
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x_c_tw = 1.0_pReal, & !< critical distance for formation of twin nucleus
x_c_tr = 1.0_pReal, & !< critical distance for formation of trans nucleus
works for elasticity only
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V_cs = 1.0_pReal, & !< cross slip volume
continue with parameter name change Names with conflicts not changed yet
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xi_sb = 1.0_pReal, & !< value for shearband resistance
v_sb = 1.0_pReal, & !< value for shearband velocity_0
works for elasticity only
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E_sb = 1.0_pReal, & !< activation energy for shear bands
continue with parameter name change Names with conflicts not changed yet
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Gamma_sf_0K = 1.0_pReal, & !< stacking fault energy at zero K
dGamma_sf_dT = 1.0_pReal, & !< temperature dependence of stacking fault energy
delta_G = 1.0_pReal, & !< Free energy difference between austensite and martensite
Restructuring for material.yaml
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i_tr = 1.0_pReal, & !< adjustment parameter to calculate MFP for transformation
works for elasticity only
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h = 1.0_pReal !< Stack height of hex nucleus
style unification, no enums for output
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real(pReal), allocatable, dimension(:) :: &
[skip ci] burgers ---> Burgers
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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
continue with parameter name change Names with conflicts not changed yet
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Q_s,& !< activation energy for glide [J] for each slip system
v_0, & !< dislocation velocity prefactor [m/s] for each slip system
fixing indentation always 2 spaces, not 1 for the first level
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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
continue with parameter name change Names with conflicts not changed yet
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i_sl, & !< Adj. parameter for distance between 2 forest dislocations for each slip system
separation by instance does not add any value
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t_tr, & !< martensite lamellar thickness [m] for each trans system
fixing indentation always 2 spaces, not 1 for the first level
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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
tau_0 should be per slip family
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tau_0, & !< strength due to elements in solid solution
fixing indentation always 2 spaces, not 1 for the first level
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gamma_char, & !< characteristic shear for twins
B !< drag coefficient
style unification, no enums for output
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real(pReal), allocatable, dimension(:,:) :: &
Restructuring for material.yaml
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h_sl_sl, & !< components of slip-slip interaction matrix
h_sl_tw, & !< components of slip-twin interaction matrix
h_tw_tw, & !< components of twin-twin interaction matrix
h_sl_tr, & !< components of slip-trans interaction matrix
h_tr_tr, & !< components of trans-trans interaction matrix
fixing indentation always 2 spaces, not 1 for the first level
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n0_sl, & !< slip system normal
forestProjection, &
C66
style unification, no enums for output
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real(pReal), allocatable, dimension(:,:,:) :: &
fixing indentation always 2 spaces, not 1 for the first level
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P_sl, &
P_tw, &
notation from DAMASK paper
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P_tr, &
fixing indentation always 2 spaces, not 1 for the first level
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C66_tw, &
C66_tr
style unification, no enums for output
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integer :: &
fixing indentation always 2 spaces, not 1 for the first level
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sum_N_sl, & !< total number of active slip system
sum_N_tw, & !< total number of active twin system
style unification, no enums for output
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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
fixing indentation always 2 spaces, not 1 for the first level
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logical :: &
ExtendedDislocations, & !< consider split into partials for climb calculation
fccTwinTransNucleation, & !< twinning and transformation models are for fcc
renamed "no_dipole_formation" flag to "omit_dipoles"; shortened dipole dotState logic
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omitDipoles !< flag controlling consideration of dipole formation
fixing indentation always 2 spaces, not 1 for the first level
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end type !< container type for internal constitutive parameters
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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type :: tDislotwinState
real(pReal), dimension(:,:), pointer :: &
rho_mob, &
rho_dip, &
gamma_sl, &
f_tw, &
f_tr
end type tDislotwinState
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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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
Restructuring for material.yaml
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tau_pass, & !< threshold stress for slip
tau_hat_tw, & !< threshold stress for twinning
tau_hat_tr, & !< threshold stress for transformation
fixing indentation always 2 spaces, not 1 for the first level
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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
style unification, no enums for output
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mutual unification
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!--------------------------------------------------------------------------------------------------
! containers for parameters and state
fixing indentation always 2 spaces, not 1 for the first level
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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
2013-10-08 21:57:26 +05:30
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
2013-03-28 13:10:30 +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 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
!--------------------------------------------------------------------------------------------------
Restructuring for material.yaml
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module function plastic_dislotwin_init() result(myPlasticity)
prepared new State for dislotwin
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Restructuring for material.yaml
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logical, dimension(:), allocatable :: myPlasticity
fixing indentation always 2 spaces, not 1 for the first level
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integer :: &
consistent name 'ph' and cleaning
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ph, i, &
rename Nconstituents --> Nmembers
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Nmembers, &
fixing indentation always 2 spaces, not 1 for the first level
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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
fixing indentation always 2 spaces, not 1 for the first level
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character(len=pStringLen) :: &
extmsg = ''
Restructuring for material.yaml
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class(tNode), pointer :: &
phases, &
phase, &
under mech dictionary
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mech, &
Restructuring for material.yaml
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pl
style unification, no enums for output
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separation by instance does not add any value
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Restructuring for material.yaml
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myPlasticity = plastic_active('dislotwin')
separation by instance does not add any value
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if(count(myPlasticity) == 0) return
consistent access via (ph)ase and phase(me)mber
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missing renames
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print'(/,a)', ' <<<+- phase:mechanical:plastic:dislotwin init -+>>>'
separation by instance does not add any value
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print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
less verbose reporting
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unified citation style continued
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print*, 'A. Ma and F. Roters, Acta Materialia 52(12):3603–3612, 2004'
better print then write - shorter, always writes to STDOUT also, report only details (paper) of active models
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print*, 'https://doi.org/10.1016/j.actamat.2004.04.012'//IO_EOL
unified citation style continued
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print*, 'F. Roters et al., Computational Materials Science 39:91–95, 2007'
better print then write - shorter, always writes to STDOUT also, report only details (paper) of active models
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print*, 'https://doi.org/10.1016/j.commatsci.2006.04.014'//IO_EOL
unified citation style continued
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print*, 'S.L. Wong et al., Acta Materialia 118:140–151, 2016'
better print then write - shorter, always writes to STDOUT also, report only details (paper) of active models
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print*, 'https://doi.org/10.1016/j.actamat.2016.07.032'
style unification, no enums for output
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prefix should be name of the module poor substitute for namespace
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phases => config_material%get('phase')
separation by instance does not add any value
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allocate(param(phases%length))
allocate(state(phases%length))
allocate(dotState(phases%length))
allocate(dependentState(phases%length))
consistent name 'ph' and cleaning
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do ph = 1, phases%length
if(.not. myPlasticity(ph)) cycle
associate(prm => param(ph), dot => dotState(ph), stt => state(ph), dst => dependentState(ph))
phase => phases%get(ph)
consistent naming in HDF5 output
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mech => phase%get('mechanical')
pl => mech%get('plastic')
Restructuring for material.yaml
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#if defined (__GFORTRAN__)
get_asXXs --> get_as1dXX
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prm%output = output_as1dString(pl)
Restructuring for material.yaml
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#else
get_asXXs --> get_as1dXX
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prm%output = pl%get_as1dString('output',defaultVal=emptyStringArray)
Restructuring for material.yaml
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#endif
make consistency check
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fixing indentation always 2 spaces, not 1 for the first level
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! This data is read in already in lattice
consistent name 'ph' and cleaning
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prm%mu = lattice_mu(ph)
prm%nu = lattice_nu(ph)
prm%C66 = lattice_C66(1:6,1:6,ph)
style unification, no enums for output
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using central functionality
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!--------------------------------------------------------------------------------------------------
! slip related parameters
get_asXXs --> get_as1dXX
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N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray)
handle most stupid case
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prm%sum_N_sl = sum(abs(N_sl))
fixing indentation always 2 spaces, not 1 for the first level
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slipActive: if (prm%sum_N_sl > 0) then
Restructuring for material.yaml
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prm%P_sl = lattice_SchmidMatrix_slip(N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
get_asXXs --> get_as1dXX
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prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_as1dFloat('h_sl_sl'), &
Restructuring for material.yaml
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phase%get_asString('lattice'))
prm%forestProjection = lattice_forestProjection_edge(N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
only store parameters that are needed during the simulation
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prm%forestProjection = transpose(prm%forestProjection)
style unification, no enums for output
2020-02-14 13:53:09 +05:30
Restructuring for material.yaml
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prm%n0_sl = lattice_slip_normal(N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
consistent name 'ph' and cleaning
2021-02-16 20:36:09 +05:30
prm%fccTwinTransNucleation = lattice_structure(ph) == lattice_FCC_ID .and. (N_sl(1) == 12)
only store parameters that are needed during the simulation
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if(prm%fccTwinTransNucleation) prm%fcc_twinNucleationSlipPair = lattice_FCC_TWINNUCLEATIONSLIPPAIR
get_asXXs --> get_as1dXX
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rho_mob_0 = pl%get_as1dFloat('rho_mob_0', requiredSize=size(N_sl))
rho_dip_0 = pl%get_as1dFloat('rho_dip_0', requiredSize=size(N_sl))
prm%v_0 = pl%get_as1dFloat('v_0', requiredSize=size(N_sl))
prm%b_sl = pl%get_as1dFloat('b_sl', requiredSize=size(N_sl))
prm%Q_s = pl%get_as1dFloat('Q_s', requiredSize=size(N_sl))
prm%i_sl = pl%get_as1dFloat('i_sl', requiredSize=size(N_sl))
prm%p = pl%get_as1dFloat('p_sl', requiredSize=size(N_sl))
prm%q = pl%get_as1dFloat('q_sl', requiredSize=size(N_sl))
prm%tau_0 = pl%get_as1dFloat('tau_0', requiredSize=size(N_sl))
prm%B = pl%get_as1dFloat('B', requiredSize=size(N_sl), &
only store parameters that are needed during the simulation
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defaultVal=[(0.0_pReal, i=1,size(N_sl))])
style unification, no enums for output
2020-02-14 13:53:09 +05:30
continue with parameter name change Names with conflicts not changed yet
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prm%D_a = pl%get_asFloat('D_a')
prm%D_0 = pl%get_asFloat('D_0')
prm%Q_cl = pl%get_asFloat('Q_cl')
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
prm%ExtendedDislocations = pl%get_asBool('extend_dislocations',defaultVal = .false.)
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
if (prm%ExtendedDislocations) then
continue with parameter name change Names with conflicts not changed yet
2020-09-22 18:32:24 +05:30
prm%Gamma_sf_0K = pl%get_asFloat('Gamma_sf_0K')
prm%dGamma_sf_dT = pl%get_asFloat('dGamma_sf_dT')
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
endif
style unification, no enums for output
2020-02-14 13:53:09 +05:30
renamed "no_dipole_formation" flag to "omit_dipoles"; shortened dipole dotState logic
2021-02-25 00:42:50 +05:30
prm%omitDipoles = pl%get_asBool('omit_dipoles',defaultVal = .false.)
works for elasticity only
2020-03-16 19:28:42 +05:30
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
! 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
Restructuring for material.yaml
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prm%omega = pl%get_asFloat('omega', defaultVal = 1000.0_pReal) &
consistent name 'ph' and cleaning
2021-02-16 20:36:09 +05:30
* merge(12.0_pReal,8.0_pReal,any(lattice_structure(ph) == [lattice_FCC_ID,lattice_HEX_ID]))
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
! 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)
continue with parameter name change Names with conflicts not changed yet
2020-09-22 18:32:24 +05:30
prm%v_0 = math_expand(prm%v_0, N_sl)
only store parameters that are needed during the simulation
2020-03-16 12:46:55 +05:30
prm%b_sl = math_expand(prm%b_sl, N_sl)
continue with parameter name change Names with conflicts not changed yet
2020-09-22 18:32:24 +05:30
prm%Q_s = math_expand(prm%Q_s, N_sl)
prm%i_sl = math_expand(prm%i_sl, N_sl)
only store parameters that are needed during the simulation
2020-03-16 12:46:55 +05:30
prm%p = math_expand(prm%p, N_sl)
prm%q = math_expand(prm%q, N_sl)
tau_0 should be per slip family
2021-02-24 16:36:46 +05:30
prm%tau_0 = math_expand(prm%tau_0, N_sl)
only store parameters that are needed during the simulation
2020-03-16 12:46:55 +05:30
prm%B = math_expand(prm%B, N_sl)
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
! sanity checks
continue with parameter name change Names with conflicts not changed yet
2020-09-22 18:32:24 +05:30
if ( prm%D_0 <= 0.0_pReal) extmsg = trim(extmsg)//' D_0'
if ( prm%Q_cl <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl'
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'
if (any(prm%v_0 < 0.0_pReal)) extmsg = trim(extmsg)//' v_0'
if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl'
if (any(prm%Q_s <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_s'
if (any(prm%i_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' i_sl'
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_sl'
if (any(prm%q< 1.0_pReal .or. prm%q>2.0_pReal)) extmsg = trim(extmsg)//' q_sl'
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
else slipActive
works for elasticity only
2020-03-16 19:28:42 +05:30
rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray
continue with parameter name change Names with conflicts not changed yet
2020-09-22 18:32:24 +05:30
allocate(prm%b_sl,prm%Q_s,prm%v_0,prm%i_sl,prm%p,prm%q,prm%B,source=emptyRealArray)
works for elasticity only
2020-03-16 19:28:42 +05:30
allocate(prm%forestProjection(0,0),prm%h_sl_sl(0,0))
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
endif slipActive
style unification, no enums for output
2020-02-14 13:53:09 +05:30
using central functionality
2018-10-18 02:43:47 +05:30
!--------------------------------------------------------------------------------------------------
! twin related parameters
get_asXXs --> get_as1dXX
2021-03-11 22:30:07 +05:30
N_tw = pl%get_as1dInt('N_tw', defaultVal=emptyIntArray)
handle most stupid case
2020-03-16 19:32:40 +05:30
prm%sum_N_tw = sum(abs(N_tw))
works for elasticity only
2020-03-16 19:28:42 +05:30
twinActive: if (prm%sum_N_tw > 0) then
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
prm%P_tw = lattice_SchmidMatrix_twin(N_tw,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
only store parameters that are needed during the simulation
2020-03-16 12:46:55 +05:30
prm%h_tw_tw = lattice_interaction_TwinByTwin(N_tw,&
get_asXXs --> get_as1dXX
2021-03-11 22:30:07 +05:30
pl%get_as1dFloat('h_tw_tw'), &
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
phase%get_asString('lattice'))
style unification, no enums for output
2020-02-14 13:53:09 +05:30
get_asXXs --> get_as1dXX
2021-03-11 22:30:07 +05:30
prm%b_tw = pl%get_as1dFloat('b_tw', requiredSize=size(N_tw))
prm%t_tw = pl%get_as1dFloat('t_tw', requiredSize=size(N_tw))
prm%r = pl%get_as1dFloat('p_tw', requiredSize=size(N_tw))
style unification, no enums for output
2020-02-14 13:53:09 +05:30
continue with parameter name change Names with conflicts not changed yet
2020-09-22 18:32:24 +05:30
prm%x_c_tw = pl%get_asFloat('x_c_tw')
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
prm%L_tw = pl%get_asFloat('L_tw')
prm%i_tw = pl%get_asFloat('i_tw')
style unification, no enums for output
2020-02-14 13:53:09 +05:30
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
prm%gamma_char= lattice_characteristicShear_Twin(N_tw,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
style unification, no enums for output
2020-02-14 13:53:09 +05:30
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
prm%C66_tw = lattice_C66_twin(N_tw,prm%C66,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
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 (.not. prm%fccTwinTransNucleation) then
get_asXXs --> get_as1dXX
2021-03-11 22:30:07 +05:30
prm%dot_N_0_tw = pl%get_as1dFloat('dot_N_0_tw')
only store parameters that are needed during the simulation
2020-03-16 12:46:55 +05:30
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
2020-02-01 02:07:18 +05:30
endif
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
! expand: family => system
only store parameters that are needed during the simulation
2020-03-16 12:46:55 +05:30
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
2020-02-14 13:53:09 +05:30
only store parameters that are needed during the simulation
2020-03-16 12:46:55 +05:30
! sanity checks
missing rename: bcc -> cI also, no CamelCase in disloTungsten + a few renames of variable names for more consistency
2020-11-29 16:28:39 +05:30
if ( prm%x_c_tw < 0.0_pReal) extmsg = trim(extmsg)//' x_c_tw'
only store parameters that are needed during the simulation
2020-03-16 12:46:55 +05:30
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'
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
if (any(prm%r < 0.0_pReal)) extmsg = trim(extmsg)//' p_tw'
only store parameters that are needed during the simulation
2020-03-16 12:46:55 +05:30
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
2020-03-16 19:28:42 +05:30
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
2020-02-14 13:53:09 +05:30
sorting
2018-10-19 01:50:26 +05:30
!--------------------------------------------------------------------------------------------------
! transformation related parameters
get_asXXs --> get_as1dXX
2021-03-11 22:30:07 +05:30
N_tr = pl%get_as1dInt('N_tr', defaultVal=emptyIntArray)
handle most stupid case
2020-03-16 19:32:40 +05:30
prm%sum_N_tr = sum(abs(N_tr))
works for elasticity only
2020-03-16 19:28:42 +05:30
transActive: if (prm%sum_N_tr > 0) then
get_asXXs --> get_as1dXX
2021-03-11 22:30:07 +05:30
prm%b_tr = pl%get_as1dFloat('b_tr')
only store parameters that are needed during the simulation
2020-03-16 12:46:55 +05:30
prm%b_tr = math_expand(prm%b_tr,N_tr)
style unification, no enums for output
2020-02-14 13:53:09 +05:30
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
prm%h = pl%get_asFloat('h', defaultVal=0.0_pReal) ! ToDo: How to handle that???
prm%i_tr = pl%get_asFloat('i_tr', defaultVal=0.0_pReal) ! ToDo: How to handle that???
continue with parameter name change Names with conflicts not changed yet
2020-09-22 18:32:24 +05:30
prm%delta_G = pl%get_asFloat('delta_G')
prm%x_c_tr = pl%get_asFloat('x_c_tr', defaultVal=0.0_pReal) ! ToDo: How to handle that???
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
prm%L_tr = pl%get_asFloat('L_tr')
style unification, no enums for output
2020-02-14 13:53:09 +05:30
get_asXXs --> get_as1dXX
2021-03-11 22:30:07 +05:30
prm%h_tr_tr = lattice_interaction_TransByTrans(N_tr,pl%get_as1dFloat('h_tr_tr'), &
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
phase%get_asString('lattice'))
style unification, no enums for output
2020-02-14 13:53:09 +05:30
missing rename: bcc -> cI also, no CamelCase in disloTungsten + a few renames of variable names for more consistency
2020-11-29 16:28:39 +05:30
prm%C66_tr = lattice_C66_trans(N_tr,prm%C66,pl%get_asString('lattice_tr'), &
only store parameters that are needed during the simulation
2020-03-16 12:46:55 +05:30
0.0_pReal, &
missing rename: bcc -> cI also, no CamelCase in disloTungsten + a few renames of variable names for more consistency
2020-11-29 16:28:39 +05:30
pl%get_asFloat('a_cI', defaultVal=0.0_pReal), &
pl%get_asFloat('a_cF', defaultVal=0.0_pReal))
style unification, no enums for output
2020-02-14 13:53:09 +05:30
missing rename: bcc -> cI also, no CamelCase in disloTungsten + a few renames of variable names for more consistency
2020-11-29 16:28:39 +05:30
prm%P_tr = lattice_SchmidMatrix_trans(N_tr,pl%get_asString('lattice_tr'), &
only store parameters that are needed during the simulation
2020-03-16 12:46:55 +05:30
0.0_pReal, &
missing rename: bcc -> cI also, no CamelCase in disloTungsten + a few renames of variable names for more consistency
2020-11-29 16:28:39 +05:30
pl%get_asFloat('a_cI', defaultVal=0.0_pReal), &
pl%get_asFloat('a_cF', defaultVal=0.0_pReal))
style unification, no enums for output
2020-02-14 13:53:09 +05:30
consistent name 'ph' and cleaning
2021-02-16 20:36:09 +05:30
if (lattice_structure(ph) /= lattice_FCC_ID) then
get_asXXs --> get_as1dXX
2021-03-11 22:30:07 +05:30
prm%dot_N_0_tr = pl%get_as1dFloat('dot_N_0_tr')
handle most stupid case
2020-03-16 19:32:40 +05:30
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
2020-02-01 02:07:18 +05:30
endif
get_asXXs --> get_as1dXX
2021-03-11 22:30:07 +05:30
prm%t_tr = pl%get_as1dFloat('t_tr')
only store parameters that are needed during the simulation
2020-03-16 12:46:55 +05:30
prm%t_tr = math_expand(prm%t_tr,N_tr)
get_asXXs --> get_as1dXX
2021-03-11 22:30:07 +05:30
prm%s = pl%get_as1dFloat('p_tr',defaultVal=[0.0_pReal])
only store parameters that are needed during the simulation
2020-03-16 12:46:55 +05:30
prm%s = math_expand(prm%s,N_tr)
! sanity checks
missing rename: bcc -> cI also, no CamelCase in disloTungsten + a few renames of variable names for more consistency
2020-11-29 16:28:39 +05:30
if ( prm%x_c_tr < 0.0_pReal) extmsg = trim(extmsg)//' x_c_tr'
only store parameters that are needed during the simulation
2020-03-16 12:46:55 +05:30
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'
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
if (any(prm%s < 0.0_pReal)) extmsg = trim(extmsg)//' p_tr'
consistent name 'ph' and cleaning
2021-02-16 20:36:09 +05:30
if (lattice_structure(ph) /= lattice_FCC_ID) then
only store parameters that are needed during the simulation
2020-03-16 12:46:55 +05:30
if (any(prm%dot_N_0_tr < 0.0_pReal)) extmsg = trim(extmsg)//' dot_N_0_tr'
endif
works for elasticity only
2020-03-16 19:28:42 +05:30
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
2020-02-01 02:07:18 +05:30
allocate(prm%h_tr_tr(0,0))
works for elasticity only
2020-03-16 19:28:42 +05:30
endif transActive
style unification, no enums for output
2020-02-14 13:53:09 +05:30
sanity checks in more sensible order
2019-01-29 11:11:27 +05:30
!--------------------------------------------------------------------------------------------------
! shearband related parameters
continue with parameter name change Names with conflicts not changed yet
2020-09-22 18:32:24 +05:30
prm%v_sb = pl%get_asFloat('v_sb',defaultVal=0.0_pReal)
if (prm%v_sb > 0.0_pReal) then
prm%xi_sb = pl%get_asFloat('xi_sb')
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
prm%E_sb = pl%get_asFloat('Q_sb')
prm%p_sb = pl%get_asFloat('p_sb')
prm%q_sb = pl%get_asFloat('q_sb')
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
! sanity checks
continue with parameter name change Names with conflicts not changed yet
2020-09-22 18:32:24 +05:30
if (prm%xi_sb < 0.0_pReal) extmsg = trim(extmsg)//' xi_sb'
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
if (prm%E_sb < 0.0_pReal) extmsg = trim(extmsg)//' Q_sb'
if (prm%p_sb <= 0.0_pReal) extmsg = trim(extmsg)//' p_sb'
if (prm%q_sb <= 0.0_pReal) extmsg = trim(extmsg)//' q_sb'
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
endif
style unification, no enums for output
2020-02-14 13:53:09 +05:30
works for elasticity only
2020-03-16 19:28:42 +05:30
!--------------------------------------------------------------------------------------------------
! parameters required for several mechanisms and their interactions
if(prm%sum_N_sl + prm%sum_N_tw + prm%sum_N_tw > 0) &
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
prm%D = pl%get_asFloat('D')
works for elasticity only
2020-03-16 19:28:42 +05:30
twinOrSlipActive: if (prm%sum_N_tw + prm%sum_N_tr > 0) then
continue with parameter name change Names with conflicts not changed yet
2020-09-22 18:32:24 +05:30
prm%Gamma_sf_0K = pl%get_asFloat('Gamma_sf_0K')
prm%dGamma_sf_dT = pl%get_asFloat('dGamma_sf_dT')
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
prm%V_cs = pl%get_asFloat('V_cs')
works for elasticity only
2020-03-16 19:28:42 +05:30
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,&
get_asXXs --> get_as1dXX
2021-03-11 22:30:07 +05:30
pl%get_as1dFloat('h_sl_tw'), &
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
phase%get_asString('lattice'))
works for elasticity only
2020-03-16 19:28:42 +05:30
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,&
get_asXXs --> get_as1dXX
2021-03-11 22:30:07 +05:30
pl%get_as1dFloat('h_sl_tr'), &
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
phase%get_asString('lattice'))
works for elasticity only
2020-03-16 19:28:42 +05:30
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
rename Nconstituents --> Nmembers
2021-03-05 01:46:36 +05:30
Nmembers = count(material_phaseAt2 == ph)
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
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
2020-02-14 13:53:09 +05:30
better print then write - shorter, always writes to STDOUT also, report only details (paper) of active models
2020-09-14 00:30:34 +05:30
rename Nconstituents --> Nmembers
2021-03-05 01:46:36 +05:30
call phase_allocateState(plasticState(ph),Nmembers,sizeState,sizeDotState,0)
style unification, no enums for output
2020-02-14 13:53:09 +05:30
mutual unification
2019-01-27 16:07:50 +05:30
!--------------------------------------------------------------------------------------------------
atol is part of the state structure, no need for suffix
2020-03-15 14:21:40 +05:30
! locally defined state aliases and initialization of state0 and atol
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
startIndex = 1
endIndex = prm%sum_N_sl
consistent name 'ph' and cleaning
2021-02-16 20:36:09 +05:30
stt%rho_mob=>plasticState(ph)%state(startIndex:endIndex,:)
rename Nconstituents --> Nmembers
2021-03-05 01:46:36 +05:30
stt%rho_mob= spread(rho_mob_0,2,Nmembers)
consistent name 'ph' and cleaning
2021-02-16 20:36:09 +05:30
dot%rho_mob=>plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
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
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
consistent name 'ph' and cleaning
2021-02-16 20:36:09 +05:30
stt%rho_dip=>plasticState(ph)%state(startIndex:endIndex,:)
rename Nconstituents --> Nmembers
2021-03-05 01:46:36 +05:30
stt%rho_dip= spread(rho_dip_0,2,Nmembers)
consistent name 'ph' and cleaning
2021-02-16 20:36:09 +05:30
dot%rho_dip=>plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
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
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
consistent name 'ph' and cleaning
2021-02-16 20:36:09 +05:30
stt%gamma_sl=>plasticState(ph)%state(startIndex:endIndex,:)
dot%gamma_sl=>plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = 1.0e-2_pReal
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
! global alias
consistent name 'ph' and cleaning
2021-02-16 20:36:09 +05:30
plasticState(ph)%slipRate => plasticState(ph)%dotState(startIndex:endIndex,:)
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
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_tw
consistent name 'ph' and cleaning
2021-02-16 20:36:09 +05:30
stt%f_tw=>plasticState(ph)%state(startIndex:endIndex,:)
dot%f_tw=>plasticState(ph)%dotState(startIndex:endIndex,:)
read in correct values
2021-02-26 11:39:04 +05:30
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_f_tw',defaultVal=1.0e-7_pReal)
standardized names
2021-02-27 14:34:08 +05:30
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_f_tw'
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
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_tr
consistent name 'ph' and cleaning
2021-02-16 20:36:09 +05:30
stt%f_tr=>plasticState(ph)%state(startIndex:endIndex,:)
dot%f_tr=>plasticState(ph)%dotState(startIndex:endIndex,:)
read in correct values
2021-02-26 11:39:04 +05:30
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_f_tr',defaultVal=1.0e-6_pReal)
standardized names
2021-02-27 14:34:08 +05:30
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_f_tr'
style unification, no enums for output
2020-02-14 13:53:09 +05:30
rename Nconstituents --> Nmembers
2021-03-05 01:46:36 +05:30
allocate(dst%Lambda_sl (prm%sum_N_sl,Nmembers),source=0.0_pReal)
allocate(dst%tau_pass (prm%sum_N_sl,Nmembers),source=0.0_pReal)
style unification, no enums for output
2020-02-14 13:53:09 +05:30
rename Nconstituents --> Nmembers
2021-03-05 01:46:36 +05:30
allocate(dst%Lambda_tw (prm%sum_N_tw,Nmembers),source=0.0_pReal)
allocate(dst%tau_hat_tw (prm%sum_N_tw,Nmembers),source=0.0_pReal)
allocate(dst%tau_r_tw (prm%sum_N_tw,Nmembers),source=0.0_pReal)
allocate(dst%V_tw (prm%sum_N_tw,Nmembers),source=0.0_pReal)
style unification, no enums for output
2020-02-14 13:53:09 +05:30
rename Nconstituents --> Nmembers
2021-03-05 01:46:36 +05:30
allocate(dst%Lambda_tr (prm%sum_N_tr,Nmembers),source=0.0_pReal)
allocate(dst%tau_hat_tr (prm%sum_N_tr,Nmembers),source=0.0_pReal)
allocate(dst%tau_r_tr (prm%sum_N_tr,Nmembers),source=0.0_pReal)
allocate(dst%V_tr (prm%sum_N_tr,Nmembers),source=0.0_pReal)
style unification, no enums for output
2020-02-14 13:53:09 +05:30
consistent name 'ph' and cleaning
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plasticState(ph)%state0 = plasticState(ph)%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
Restructuring for material.yaml
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if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(dislotwin)')
make consistency check
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fixing indentation always 2 spaces, not 1 for the first level
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enddo
mutual unification
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Restructuring for material.yaml
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end function plastic_dislotwin_init
updated to read in TRIP parameters
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mutual unification
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added doxygen documentation and unified variable names and some common parts of the code
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!--------------------------------------------------------------------------------------------------
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
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!--------------------------------------------------------------------------------------------------
consistent access via (ph)ase and phase(me)mber
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module function plastic_dislotwin_homogenizedC(ph,me) result(homogenizedC)
style unification, no enums for output
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consistent access via (ph)ase and phase(me)mber
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integer, intent(in) :: &
ph, me
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real(pReal), dimension(6,6) :: &
homogenizedC
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consistent access via (ph)ase and phase(me)mber
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integer :: i
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real(pReal) :: f_unrotated
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consistent access via (ph)ase and phase(me)mber
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separation by instance does not add any value
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associate(prm => param(ph),&
stt => state(ph))
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f_unrotated = 1.0_pReal &
consistent access via (ph)ase and phase(me)mber
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- sum(stt%f_tw(1:prm%sum_N_tw,me)) &
- sum(stt%f_tr(1:prm%sum_N_tr,me))
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homogenizedC = f_unrotated * prm%C66
do i=1,prm%sum_N_tw
homogenizedC = homogenizedC &
consistent access via (ph)ase and phase(me)mber
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+ stt%f_tw(i,me)*prm%C66_tw(1:6,1:6,i)
fixing indentation always 2 spaces, not 1 for the first level
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enddo
do i=1,prm%sum_N_tr
homogenizedC = homogenizedC &
consistent access via (ph)ase and phase(me)mber
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+ stt%f_tr(i,me)*prm%C66_tr(1:6,1:6,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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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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shortened
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end function plastic_dislotwin_homogenizedC
don't know what happend to the copyright note
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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
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!--------------------------------------------------------------------------------------------------
[skip sc] default access for phase: (ph,me)
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module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,me)
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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
[skip sc] default access for phase: (ph,me)
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integer, intent(in) :: ph,me
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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
separation by instance does not add any value
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real(pReal), dimension(param(ph)%sum_N_sl) :: &
[skip ci] adjusting to disloUCLA
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dot_gamma_sl,ddot_gamma_dtau_slip
separation by instance does not add any value
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real(pReal), dimension(param(ph)%sum_N_tw) :: &
standardized names
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dot_gamma_tw,ddot_gamma_dtau_tw
separation by instance does not add any value
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real(pReal), dimension(param(ph)%sum_N_tr) :: &
standardized names
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dot_gamma_tr,ddot_gamma_dtau_tr
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])
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separation by instance does not add any value
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associate(prm => param(ph), stt => state(ph))
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fixing indentation always 2 spaces, not 1 for the first level
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f_unrotated = 1.0_pReal &
default name
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- sum(stt%f_tw(1:prm%sum_N_tw,me)) &
- sum(stt%f_tr(1:prm%sum_N_tr,me))
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
separation by instance does not add any value
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call kinetics_slip(Mp,T,ph,me,dot_gamma_sl,ddot_gamma_dtau_slip)
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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
style unification, no enums for output
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standardized names
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call kinetics_twin(Mp,T,dot_gamma_sl,ph,me,dot_gamma_tw,ddot_gamma_dtau_tw)
intention clearer slip/twin/trans happens in untwinned/untransformed volume, shear banding is independent of that
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twinContibution: do i = 1, prm%sum_N_tw
standardized names
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Lp = Lp + dot_gamma_tw(i)*prm%P_tw(1:3,1:3,i)
intention clearer slip/twin/trans happens in untwinned/untransformed volume, shear banding is independent of that
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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) &
standardized names
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+ ddot_gamma_dtau_tw(i)* prm%P_tw(k,l,i)*prm%P_tw(m,n,i)
intention clearer slip/twin/trans happens in untwinned/untransformed volume, shear banding is independent of that
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enddo twinContibution
standardized names
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call kinetics_trans(Mp,T,dot_gamma_sl,ph,me,dot_gamma_tr,ddot_gamma_dtau_tr)
intention clearer slip/twin/trans happens in untwinned/untransformed volume, shear banding is independent of that
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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) &
standardized names
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+ ddot_gamma_dtau_tr(i)* prm%P_tr(k,l,i)*prm%P_tr(m,n,i)
intention clearer slip/twin/trans happens in untwinned/untransformed volume, shear banding is independent of that
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enddo transContibution
fixing indentation always 2 spaces, not 1 for the first level
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Lp = Lp * f_unrotated
dLp_dMp = dLp_dMp * f_unrotated
style unification, no enums for output
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continue with parameter name change Names with conflicts not changed yet
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shearBandingContribution: if(dNeq0(prm%v_sb)) then
style unification, no enums for output
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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?
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 = 1,6
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)
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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significantShearBandStress: if (abs(tau) > tol_math_check) then
continue with parameter name change Names with conflicts not changed yet
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StressRatio_p = (abs(tau)/prm%xi_sb)**prm%p_sb
dot_gamma_sb = sign(prm%v_sb*exp(-BoltzmannRatio*(1-StressRatio_p)**prm%q_sb), tau)
ddot_gamma_dtau = abs(dot_gamma_sb)*BoltzmannRatio* prm%p_sb*prm%q_sb/ prm%xi_sb &
* (abs(tau)/prm%xi_sb)**(prm%p_sb-1.0_pReal) &
fixing indentation always 2 spaces, not 1 for the first level
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* (1.0_pReal-StressRatio_p)**(prm%q_sb-1.0_pReal)
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fixing indentation always 2 spaces, not 1 for the first level
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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
style unification, no enums for output
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endif shearBandingContribution
style unification, no enums for output
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end associate
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hierarchical naming
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end subroutine dislotwin_LpAndItsTangent
sorry, last version did not compile. now with correct encoding.
2011-04-13 17:21:46 +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 the rate of change of microstructure.
added doxygen documentation and unified variable names and some common parts of the code
2013-10-08 21:57:26 +05:30
!--------------------------------------------------------------------------------------------------
[skip sc] default access for phase: (ph,me)
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module subroutine dislotwin_dotState(Mp,T,ph,me)
sorry, last version did not compile. now with correct encoding.
2011-04-13 17:21:46 +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 at integration point
integer, intent(in) :: &
[skip sc] default access for phase: (ph,me)
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ph, &
default name
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me
fixing indentation always 2 spaces, not 1 for the first level
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integer :: i
real(pReal) :: &
f_unrotated, &
rho_dip_distance, &
style unification, no enums for output
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v_cl, & !< climb velocity
fixing indentation always 2 spaces, not 1 for the first level
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tau, &
style unification, no enums for output
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sigma_cl, & !< climb stress
[skip ci] burgers ---> Burgers
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b_d !< ratio of Burgers vector to stacking fault width
separation by instance does not add any value
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real(pReal), dimension(param(ph)%sum_N_sl) :: &
fixing indentation always 2 spaces, not 1 for the first level
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dot_rho_dip_formation, &
dot_rho_dip_climb, &
rho_dip_distance_min, &
dot_gamma_sl
separation by instance does not add any value
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real(pReal), dimension(param(ph)%sum_N_tw) :: &
standardized names
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dot_gamma_tw
separation by instance does not add any value
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real(pReal), dimension(param(ph)%sum_N_tr) :: &
fixing indentation always 2 spaces, not 1 for the first level
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dot_gamma_tr
simplified dotState
2019-03-22 11:18:38 +05:30
separation by instance does not add any value
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associate(prm => param(ph), stt => state(ph), &
dot => dotState(ph), dst => dependentState(ph))
simplified dotState
2019-03-22 11:18:38 +05:30
fixing indentation always 2 spaces, not 1 for the first level
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f_unrotated = 1.0_pReal &
default name
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- sum(stt%f_tw(1:prm%sum_N_tw,me)) &
- sum(stt%f_tr(1:prm%sum_N_tr,me))
cleaning + renaming
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separation by instance does not add any value
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call kinetics_slip(Mp,T,ph,me,dot_gamma_sl)
default name
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dot%gamma_sl(:,me) = abs(dot_gamma_sl)
style unification, no enums for output
2020-02-14 13:53:09 +05:30
continue with parameter name change Names with conflicts not changed yet
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rho_dip_distance_min = prm%D_a*prm%b_sl
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
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))
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
renamed "no_dipole_formation" flag to "omit_dipoles"; shortened dipole dotState logic
2021-02-25 00:42:50 +05:30
significantSlipStress: if (dEq0(tau) .or. prm%omitDipoles) then
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
dot_rho_dip_formation(i) = 0.0_pReal
dot_rho_dip_climb(i) = 0.0_pReal
else significantSlipStress
multiple clips throws NAN, back to sequential way of clipping
2021-02-25 20:05:32 +05:30
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,me))
rho_dip_distance = math_clip(rho_dip_distance, left = rho_dip_distance_min(i))
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
renamed "no_dipole_formation" flag to "omit_dipoles"; shortened dipole dotState logic
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dot_rho_dip_formation(i) = 2.0_pReal*(rho_dip_distance-rho_dip_distance_min(i))/prm%b_sl(i) &
merge simplifies conditional assignment
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* stt%rho_mob(i,me)*abs(dot_gamma_sl(i))
fixing indentation always 2 spaces, not 1 for the first level
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if (dEq(rho_dip_distance,rho_dip_distance_min(i))) then
dot_rho_dip_climb(i) = 0.0_pReal
else
merge simplifies conditional assignment
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! Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
fixing indentation always 2 spaces, not 1 for the first level
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sigma_cl = dot_product(prm%n0_sl(1:3,i),matmul(Mp,prm%n0_sl(1:3,i)))
merge simplifies conditional assignment
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b_d = merge(24.0_pReal*PI*(1.0_pReal - prm%nu)/(2.0_pReal + prm%nu) &
* (prm%Gamma_sf_0K + prm%dGamma_sf_dT * T) / (prm%mu*prm%b_sl(i)), &
1.0_pReal, &
prm%ExtendedDislocations)
continue with parameter name change Names with conflicts not changed yet
2020-09-22 18:32:24 +05:30
v_cl = 2.0_pReal*prm%omega*b_d**2.0_pReal*exp(-prm%Q_cl/(kB*T)) &
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
* (exp(abs(sigma_cl)*prm%b_sl(i)**3.0_pReal/(kB*T)) - 1.0_pReal)
style unification, no enums for output
2020-02-14 13:53:09 +05:30
default name
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dot_rho_dip_climb(i) = 4.0_pReal*v_cl*stt%rho_dip(i,me) &
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
/ (rho_dip_distance-rho_dip_distance_min(i))
endif
endif significantSlipStress
enddo slipState
default name
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dot%rho_mob(:,me) = abs(dot_gamma_sl)/(prm%b_sl*dst%Lambda_sl(:,me)) &
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
- dot_rho_dip_formation &
default name
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- 2.0_pReal*rho_dip_distance_min/prm%b_sl * stt%rho_mob(:,me)*abs(dot_gamma_sl)
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
default name
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dot%rho_dip(:,me) = dot_rho_dip_formation &
- 2.0_pReal*rho_dip_distance_min/prm%b_sl * stt%rho_dip(:,me)*abs(dot_gamma_sl) &
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
- dot_rho_dip_climb
standardized names
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call kinetics_twin(Mp,T,dot_gamma_sl,ph,me,dot_gamma_tw)
dot%f_tw(:,me) = f_unrotated*dot_gamma_tw/prm%gamma_char
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
separation by instance does not add any value
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call kinetics_trans(Mp,T,dot_gamma_sl,ph,me,dot_gamma_tr)
default name
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dot%f_tr(:,me) = f_unrotated*dot_gamma_tr
general polishing
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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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names reflect hierarchy
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end subroutine 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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!--------------------------------------------------------------------------------------------------
style unification, no enums for output
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!> @brief Calculate derived quantities from state.
following example of disloUCLA
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!--------------------------------------------------------------------------------------------------
separation by instance does not add any value
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module subroutine dislotwin_dependentState(T,ph,me)
following example of disloUCLA
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integer, intent(in) :: &
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ph, &
default name
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me
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real(pReal), intent(in) :: &
T
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real(pReal) :: &
standardized names
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sumf_tw,Gamma,sumf_tr
separation by instance does not add any value
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real(pReal), dimension(param(ph)%sum_N_sl) :: &
avoid accessing uninitialized data
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inv_lambda_sl
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real(pReal), dimension(param(ph)%sum_N_tw) :: &
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inv_lambda_tw_tw, & !< 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
f_over_t_tw
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real(pReal), dimension(param(ph)%sum_N_tr) :: &
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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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separation by instance does not add any value
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associate(prm => param(ph),&
stt => state(ph),&
dst => dependentState(ph))
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standardized names
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sumf_tw = sum(stt%f_tw(1:prm%sum_N_tw,me))
sumf_tr = sum(stt%f_tr(1:prm%sum_N_tr,me))
style unification, no enums for output
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continue with parameter name change Names with conflicts not changed yet
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Gamma = prm%Gamma_sf_0K + prm%dGamma_sf_dT * T
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!* rescaled volume fraction for topology
default name
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f_over_t_tw = stt%f_tw(1:prm%sum_N_tw,me)/prm%t_tw ! this is per system ...
standardized names
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f_over_t_tr = sumf_tr/prm%t_tr ! but this not
works for elasticity only
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! ToDo ...Physically correct, but naming could be adjusted
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avoid accessing uninitialized data
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inv_lambda_sl = sqrt(matmul(prm%forestProjection,stt%rho_mob(:,me)+stt%rho_dip(:,me)))/prm%i_sl
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if (prm%sum_N_tw > 0 .and. prm%sum_N_sl > 0) &
avoid accessing uninitialized data
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inv_lambda_sl = inv_lambda_sl + matmul(prm%h_sl_tw,f_over_t_tw)/(1.0_pReal-sumf_tw)
if (prm%sum_N_tr > 0 .and. prm%sum_N_sl > 0) &
inv_lambda_sl = inv_lambda_sl + matmul(prm%h_sl_tr,f_over_t_tr)/(1.0_pReal-sumf_tr)
dst%Lambda_sl(:,me) = prm%D / (1.0_pReal+prm%D*inv_lambda_sl)
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standardized names
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inv_lambda_tw_tw = matmul(prm%h_tw_tw,f_over_t_tw)/(1.0_pReal-sumf_tw)
avoid accessing uninitialized data
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dst%Lambda_tw(:,me) = prm%i_tw*prm%D/(1.0_pReal+prm%D*inv_lambda_tw_tw)
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standardized names
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inv_lambda_tr_tr = matmul(prm%h_tr_tr,f_over_t_tr)/(1.0_pReal-sumf_tr)
default name
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dst%Lambda_tr(:,me) = prm%i_tr*prm%D/(1.0_pReal+prm%D*inv_lambda_tr_tr)
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!* threshold stress for dislocation motion
default name
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dst%tau_pass(:,me) = prm%mu*prm%b_sl* sqrt(matmul(prm%h_sl_sl,stt%rho_mob(:,me)+stt%rho_dip(:,me)))
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!* threshold stress for growing twin/martensite
if(prm%sum_N_tw == prm%sum_N_sl) &
default name
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dst%tau_hat_tw(:,me) = Gamma/(3.0_pReal*prm%b_tw) &
[skip ci] burgers ---> Burgers
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+ 3.0_pReal*prm%b_tw*prm%mu/(prm%L_tw*prm%b_sl) ! slip Burgers here correct?
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if(prm%sum_N_tr == prm%sum_N_sl) &
default name
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dst%tau_hat_tr(:,me) = Gamma/(3.0_pReal*prm%b_tr) &
[skip ci] burgers ---> Burgers
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+ 3.0_pReal*prm%b_tr*prm%mu/(prm%L_tr*prm%b_sl) & ! slip Burgers here correct?
continue with parameter name change Names with conflicts not changed yet
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+ prm%h*prm%delta_G/ (3.0_pReal*prm%b_tr)
style unification, no enums for output
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default name
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dst%V_tw(:,me) = (PI/4.0_pReal)*prm%t_tw*dst%Lambda_tw(:,me)**2.0_pReal
dst%V_tr(:,me) = (PI/4.0_pReal)*prm%t_tr*dst%Lambda_tr(:,me)**2.0_pReal
style unification, no enums for output
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[skip ci] burgers ---> Burgers
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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
default name
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dst%tau_r_tw(:,me) = prm%mu*prm%b_tw/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c_tw)+cos(pi/3.0_pReal)/x0)
style unification, no enums for output
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[skip ci] burgers ---> Burgers
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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
default name
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dst%tau_r_tr(:,me) = prm%mu*prm%b_tr/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%x_c_tr)+cos(pi/3.0_pReal)/x0)
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
simplified
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names reflect hierarchy
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end subroutine dislotwin_dependentState
following example of disloUCLA
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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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!--------------------------------------------------------------------------------------------------
separation by instance does not add any value
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module subroutine plastic_dislotwin_results(ph,group)
dummy HDF5 output for all plasticity laws
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separation by instance does not add any value
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integer, intent(in) :: ph
migrating to submodules
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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(ph), stt => state(ph), dst => dependentState(ph))
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outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case('rho_mob')
Restructuring for material.yaml
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if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_mob,trim(prm%output(o)), &
style unification, no enums for output
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'mobile dislocation density','1/m²')
case('rho_dip')
Restructuring for material.yaml
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if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_dip,trim(prm%output(o)), &
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')
Restructuring for material.yaml
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if(prm%sum_N_sl>0) call results_writeDataset(group,stt%gamma_sl,trim(prm%output(o)), &
style unification, no enums for output
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'plastic shear','1')
Restructuring for material.yaml
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case('Lambda_sl')
if(prm%sum_N_sl>0) call results_writeDataset(group,dst%Lambda_sl,trim(prm%output(o)), &
style unification, no enums for output
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'mean free path for slip','m')
case('tau_pass')
Restructuring for material.yaml
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if(prm%sum_N_sl>0) call results_writeDataset(group,dst%tau_pass,trim(prm%output(o)), &
style unification, no enums for output
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'passing stress for slip','Pa')
case('f_tw')
Restructuring for material.yaml
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if(prm%sum_N_tw>0) call results_writeDataset(group,stt%f_tw,trim(prm%output(o)), &
style unification, no enums for output
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'twinned volume fraction','m³/m³')
Restructuring for material.yaml
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case('Lambda_tw')
if(prm%sum_N_tw>0) call results_writeDataset(group,dst%Lambda_tw,trim(prm%output(o)), &
style unification, no enums for output
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'mean free path for twinning','m')
case('tau_hat_tw')
Restructuring for material.yaml
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if(prm%sum_N_tw>0) call results_writeDataset(group,dst%tau_hat_tw,trim(prm%output(o)), &
style unification, no enums for output
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'threshold stress for twinning','Pa')
case('f_tr')
Restructuring for material.yaml
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if(prm%sum_N_tr>0) call results_writeDataset(group,stt%f_tr,trim(prm%output(o)), &
style unification, no enums for output
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'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
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!--------------------------------------------------------------------------------------------------
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
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!--------------------------------------------------------------------------------------------------
separation by instance does not add any value
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pure subroutine kinetics_slip(Mp,T,ph,me, &
[skip ci] adjusting to disloUCLA
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dot_gamma_sl,ddot_gamma_dtau_slip,tau_slip)
introduced kinetics, not in use yet
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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(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T !< temperature
integer, intent(in) :: &
separation by instance does not add any value
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ph, &
default name
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me
style unification, no enums for output
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separation by instance does not add any value
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real(pReal), dimension(param(ph)%sum_N_sl), intent(out) :: &
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dot_gamma_sl
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real(pReal), dimension(param(ph)%sum_N_sl), optional, intent(out) :: &
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ddot_gamma_dtau_slip, &
tau_slip
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real(pReal), dimension(param(ph)%sum_N_sl) :: &
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ddot_gamma_dtau
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real(pReal), dimension(param(ph)%sum_N_sl) :: &
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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
separation by instance does not add any value
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
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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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default name
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tau_eff = abs(tau)-dst%tau_pass(:,me)
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
continue with parameter name change Names with conflicts not changed yet
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BoltzmannRatio = prm%Q_s/(kB*T)
v_wait_inverse = prm%v_0**(-1.0_pReal) * exp(BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q)
fixing indentation always 2 spaces, not 1 for the first level
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v_run_inverse = prm%B/(tau_eff*prm%b_sl)
style unification, no enums for output
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default name
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dot_gamma_sl = sign(stt%rho_mob(:,me)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau)
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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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
default name
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ddot_gamma_dtau = dV_dTau*stt%rho_mob(:,me)*prm%b_sl
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
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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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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fixing indentation always 2 spaces, not 1 for the first level
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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
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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
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!--------------------------------------------------------------------------------------------------
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
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!--------------------------------------------------------------------------------------------------
separation by instance does not add any value
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pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,ph,me,&
standardized names
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dot_gamma_tw,ddot_gamma_dtau_tw)
avoid code doubling shear rates needed multiple times. For now, just introduced but not used. Will become active once the test passes again
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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) :: &
separation by instance does not add any value
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ph, &
default name
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me
separation by instance does not add any value
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real(pReal), dimension(param(ph)%sum_N_sl), intent(in) :: &
fixing indentation always 2 spaces, not 1 for the first level
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dot_gamma_sl
style unification, no enums for output
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separation by instance does not add any value
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real(pReal), dimension(param(ph)%sum_N_tw), intent(out) :: &
standardized names
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dot_gamma_tw
separation by instance does not add any value
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real(pReal), dimension(param(ph)%sum_N_tw), optional, intent(out) :: &
standardized names
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ddot_gamma_dtau_tw
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real, dimension(param(ph)%sum_N_tw) :: &
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tau, &
Ndot0, &
stressRatio_r, &
ddot_gamma_dtau
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integer :: i,s1,s2
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
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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))
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isFCC: if (prm%fccTwinTransNucleation) then
s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i)
default name
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if (tau(i) < dst%tau_r_tw(i,me)) then ! ToDo: correct?
Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,me)+stt%rho_dip(s2,me))+&
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,me)+stt%rho_dip(s1,me)))/& ! ToDo: MD: it would be more consistent to use shearrates from state
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(prm%L_tw*prm%b_sl(i))*&
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(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tw(i,me)-tau(i)))) ! P_ncs
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else
Ndot0=0.0_pReal
end if
else isFCC
Ndot0=prm%dot_N_0_tw(i)
endif isFCC
enddo
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significantStress: where(tau > tol_math_check)
default name
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StressRatio_r = (dst%tau_hat_tw(:,me)/tau)**prm%r
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dot_gamma_tw = prm%gamma_char * dst%V_tw(:,me) * Ndot0*exp(-StressRatio_r)
ddot_gamma_dtau = (dot_gamma_tw*prm%r/tau)*StressRatio_r
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else where significantStress
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dot_gamma_tw = 0.0_pReal
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ddot_gamma_dtau = 0.0_pReal
end where significantStress
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end associate
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standardized names
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if(present(ddot_gamma_dtau_tw)) ddot_gamma_dtau_tw = ddot_gamma_dtau
introduced kinetics, not in use yet
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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
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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
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simplified
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kinetics also for trans
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!--------------------------------------------------------------------------------------------------
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!> @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.
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!--------------------------------------------------------------------------------------------------
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pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,ph,me,&
standardized names
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dot_gamma_tr,ddot_gamma_dtau_tr)
kinetics also for trans
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real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T !< temperature
integer, intent(in) :: &
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ph, &
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me
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real(pReal), dimension(param(ph)%sum_N_sl), intent(in) :: &
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dot_gamma_sl
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real(pReal), dimension(param(ph)%sum_N_tr), intent(out) :: &
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dot_gamma_tr
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real(pReal), dimension(param(ph)%sum_N_tr), optional, intent(out) :: &
standardized names
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ddot_gamma_dtau_tr
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real, dimension(param(ph)%sum_N_tr) :: &
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tau, &
Ndot0, &
stressRatio_s, &
ddot_gamma_dtau
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integer :: i,s1,s2
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
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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))
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isFCC: if (prm%fccTwinTransNucleation) then
s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i)
default name
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if (tau(i) < dst%tau_r_tr(i,me)) then ! ToDo: correct?
Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,me)+stt%rho_dip(s2,me))+&
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,me)+stt%rho_dip(s1,me)))/& ! ToDo: MD: it would be more consistent to use shearrates from state
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(prm%L_tr*prm%b_sl(i))*&
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(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tr(i,me)-tau(i)))) ! P_ncs
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else
Ndot0=0.0_pReal
end if
else isFCC
Ndot0=prm%dot_N_0_tr(i)
endif isFCC
enddo
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significantStress: where(tau > tol_math_check)
default name
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StressRatio_s = (dst%tau_hat_tr(:,me)/tau)**prm%s
dot_gamma_tr = dst%V_tr(:,me) * Ndot0*exp(-StressRatio_s)
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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
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end associate
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standardized names
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if(present(ddot_gamma_dtau_tr)) ddot_gamma_dtau_tr = ddot_gamma_dtau
simplified
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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
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end subroutine kinetics_trans
use of kinetics avoids different calculation of shearrates
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modularizing
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end submodule dislotwin