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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
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief material subroutine incoprorating dislocation and twinning physics
!> @details to be done
!--------------------------------------------------------------------------------------------------
[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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tau_0 = 1.0_pReal, & !< strength due to elements in solid solution
L_tw = 1.0_pReal, & !< Length of twin nuclei in Burgers vectors
L_tr = 1.0_pReal, & !< Length of trans nuclei in Burgers vectors
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
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
dipoleFormation !< flag indicating consideration of dipole formation
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, &
consistent names for counting variables
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Nconstituents, &
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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better print then write - shorter, always writes to STDOUT also, report only details (paper) of active models
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print*, 'Ma and Roters, Acta Materialia 52(12):3603–3612, 2004'
print*, 'https://doi.org/10.1016/j.actamat.2004.04.012'//IO_EOL
print*, 'Roters et al., Computational Materials Science 39:91–95, 2007'
print*, 'https://doi.org/10.1016/j.commatsci.2006.04.014'//IO_EOL
print*, 'Wong et al., Acta Materialia 118:140–151, 2016'
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)
mech --> mechanics
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mech => phase%get('mechanics')
under mech dictionary
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pl => mech%get('plasticity')
Restructuring for material.yaml
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#if defined (__GFORTRAN__)
prm%output = output_asStrings(pl)
#else
prm%output = pl%get_asStrings('output',defaultVal=emptyStringArray)
#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
Restructuring for material.yaml
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N_sl = pl%get_asInts('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))
prm%h_sl_sl = lattice_interaction_SlipBySlip(N_sl,pl%get_asFloats('h_sl_sl'), &
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
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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
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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
Restructuring for material.yaml
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rho_mob_0 = pl%get_asFloats('rho_mob_0', requiredSize=size(N_sl))
rho_dip_0 = pl%get_asFloats('rho_dip_0', requiredSize=size(N_sl))
continue with parameter name change Names with conflicts not changed yet
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prm%v_0 = pl%get_asFloats('v_0', requiredSize=size(N_sl))
prm%b_sl = pl%get_asFloats('b_sl', requiredSize=size(N_sl))
prm%Q_s = pl%get_asFloats('Q_s', requiredSize=size(N_sl))
prm%i_sl = pl%get_asFloats('i_sl', requiredSize=size(N_sl))
prm%p = pl%get_asFloats('p_sl', requiredSize=size(N_sl))
prm%q = pl%get_asFloats('q_sl', requiredSize=size(N_sl))
prm%B = pl%get_asFloats('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
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Restructuring for material.yaml
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prm%tau_0 = pl%get_asFloat('tau_0')
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
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if (prm%ExtendedDislocations) then
continue with parameter name change Names with conflicts not changed yet
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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
Restructuring for material.yaml
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prm%dipoleformation = .not. pl%get_asBool('no_dipole_formation',defaultVal = .false.)
works for elasticity only
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fixing indentation always 2 spaces, not 1 for the first level
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! multiplication factor according to crystal structure (nearest neighbors bcc vs fcc/hex)
make consistency check
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! details: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
Restructuring for material.yaml
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prm%omega = pl%get_asFloat('omega', defaultVal = 1000.0_pReal) &
consistent name 'ph' and cleaning
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* 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
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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)
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
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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
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!--------------------------------------------------------------------------------------------------
! twin related parameters
Restructuring for material.yaml
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N_tw = pl%get_asInts('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,&
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
pl%get_asFloats('h_tw_tw'), &
phase%get_asString('lattice'))
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%b_tw = pl%get_asFloats('b_tw', requiredSize=size(N_tw))
prm%t_tw = pl%get_asFloats('t_tw', requiredSize=size(N_tw))
prm%r = pl%get_asFloats('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
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
prm%dot_N_0_tw = pl%get_asFloats('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
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
N_tr = pl%get_asInts('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
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
prm%b_tr = pl%get_asFloats('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
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
prm%h_tr_tr = lattice_interaction_TransByTrans(N_tr,pl%get_asFloats('h_tr_tr'), &
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
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
prm%dot_N_0_tr = pl%get_asFloats('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
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
prm%t_tr = pl%get_asFloats('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)
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
prm%s = pl%get_asFloats('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,&
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
pl%get_asFloats('h_sl_tw'), &
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,&
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
pl%get_asFloats('h_sl_tr'), &
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
consistent name 'ph' and cleaning
2021-02-16 20:36:09 +05:30
Nconstituents = 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
consistent name 'ph' and cleaning
2021-02-16 20:36:09 +05:30
call phase_allocateState(plasticState(ph),Nconstituents,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,:)
consistent names for counting variables
2020-10-28 02:03:30 +05:30
stt%rho_mob= spread(rho_mob_0,2,Nconstituents)
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,:)
consistent names for counting variables
2020-10-28 02:03:30 +05:30
stt%rho_dip= spread(rho_dip_0,2,Nconstituents)
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,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('f_twin',defaultVal=1.0e-7_pReal)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' f_twin'
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,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('f_trans',defaultVal=1.0e-6_pReal)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' f_trans'
style unification, no enums for output
2020-02-14 13:53:09 +05:30
consistent names for counting variables
2020-10-28 02:03:30 +05:30
allocate(dst%Lambda_sl (prm%sum_N_sl,Nconstituents),source=0.0_pReal)
allocate(dst%tau_pass (prm%sum_N_sl,Nconstituents),source=0.0_pReal)
style unification, no enums for output
2020-02-14 13:53:09 +05:30
consistent names for counting variables
2020-10-28 02:03:30 +05:30
allocate(dst%Lambda_tw (prm%sum_N_tw,Nconstituents),source=0.0_pReal)
allocate(dst%tau_hat_tw (prm%sum_N_tw,Nconstituents),source=0.0_pReal)
allocate(dst%tau_r_tw (prm%sum_N_tw,Nconstituents),source=0.0_pReal)
allocate(dst%V_tw (prm%sum_N_tw,Nconstituents),source=0.0_pReal)
style unification, no enums for output
2020-02-14 13:53:09 +05:30
consistent names for counting variables
2020-10-28 02:03:30 +05:30
allocate(dst%Lambda_tr (prm%sum_N_tr,Nconstituents),source=0.0_pReal)
allocate(dst%tau_hat_tr (prm%sum_N_tr,Nconstituents),source=0.0_pReal)
allocate(dst%tau_r_tr (prm%sum_N_tr,Nconstituents),source=0.0_pReal)
allocate(dst%V_tr (prm%sum_N_tr,Nconstituents),source=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
plasticState(ph)%state0 = plasticState(ph)%state ! ToDo: this could be done centrally
style unification, no enums for output
2020-02-14 13:53:09 +05:30
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
end associate
style unification, no enums for output
2020-02-14 13:53:09 +05:30
make consistency check
2020-03-15 14:09:35 +05:30
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(dislotwin)')
make consistency check
2020-03-15 14:09:35 +05:30
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
enddo
mutual unification
2019-01-27 16:07:50 +05:30
Restructuring for material.yaml
2020-08-15 19:32:10 +05:30
end function plastic_dislotwin_init
updated to read in TRIP parameters
2014-07-22 13:13:03 +05:30
mutual unification
2019-01-27 16:07:50 +05:30
added doxygen documentation and unified variable names and some common parts of the code
2013-10-08 21:57:26 +05:30
!--------------------------------------------------------------------------------------------------
style unification, no enums for output
2020-02-14 13:53:09 +05:30
!> @brief Return the homogenized elasticity matrix.
added doxygen documentation and unified variable names and some common parts of the code
2013-10-08 21:57:26 +05:30
!--------------------------------------------------------------------------------------------------
consistent access via (ph)ase and phase(me)mber
2021-01-19 14:44:34 +05:30
module function plastic_dislotwin_homogenizedC(ph,me) result(homogenizedC)
style unification, no enums for output
2020-02-14 13:53:09 +05:30
consistent access via (ph)ase and phase(me)mber
2021-01-19 14:44:34 +05:30
integer, intent(in) :: &
ph, me
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
real(pReal), dimension(6,6) :: &
homogenizedC
style unification, no enums for output
2020-02-14 13:53:09 +05:30
consistent access via (ph)ase and phase(me)mber
2021-01-19 14:44:34 +05:30
integer :: i
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
real(pReal) :: f_unrotated
style unification, no enums for output
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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)
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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)
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enddo
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end associate
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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
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!--------------------------------------------------------------------------------------------------
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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
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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) :: &
[skip ci] adjusting to disloUCLA
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dot_gamma_twin,ddot_gamma_dtau_twin
separation by instance does not add any value
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real(pReal), dimension(param(ph)%sum_N_tr) :: &
[skip ci] adjusting to disloUCLA
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dot_gamma_tr,ddot_gamma_dtau_trans
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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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associate(prm => param(ph), stt => state(ph))
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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))
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Lp = 0.0_pReal
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dLp_dMp = 0.0_pReal
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call kinetics_slip(Mp,T,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
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separation by instance does not add any value
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call kinetics_twin(Mp,T,dot_gamma_sl,ph,me,dot_gamma_twin,ddot_gamma_dtau_twin)
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
Lp = Lp + dot_gamma_twin(i)*prm%P_tw(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
+ ddot_gamma_dtau_twin(i)* prm%P_tw(k,l,i)*prm%P_tw(m,n,i)
enddo twinContibution
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,ddot_gamma_dtau_trans)
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) &
+ ddot_gamma_dtau_trans(i)* prm%P_tr(k,l,i)*prm%P_tr(m,n,i)
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
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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?
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do i = 1,6
P_sb = 0.5_pReal * math_outer(matmul(eigVectors,sb_sComposition(1:3,i)),&
matmul(eigVectors,sb_mComposition(1:3,i)))
numpy name
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tau = math_tensordot(Mp,P_sb)
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significantShearBandStress: if (abs(tau) > tol_math_check) then
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) &
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* (1.0_pReal-StressRatio_p)**(prm%q_sb-1.0_pReal)
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Lp = Lp + dot_gamma_sb * P_sb
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) &
+ ddot_gamma_dtau * P_sb(k,l) * P_sb(m,n)
endif significantShearBandStress
enddo
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endif shearBandingContribution
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end associate
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hierarchical naming
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end subroutine dislotwin_LpAndItsTangent
sorry, last version did not compile. now with correct encoding.
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added doxygen documentation and unified variable names and some common parts of the code
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!--------------------------------------------------------------------------------------------------
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
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!--------------------------------------------------------------------------------------------------
[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.
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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
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integer :: i
real(pReal) :: &
f_unrotated, &
rho_dip_distance, &
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v_cl, & !< climb velocity
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Gamma, & !< stacking fault energy
tau, &
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sigma_cl, & !< climb stress
[skip ci] burgers ---> Burgers
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b_d !< ratio of Burgers vector to stacking fault width
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real(pReal), dimension(param(ph)%sum_N_sl) :: &
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dot_rho_dip_formation, &
dot_rho_dip_climb, &
rho_dip_distance_min, &
dot_gamma_sl
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real(pReal), dimension(param(ph)%sum_N_tw) :: &
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dot_gamma_twin
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real(pReal), dimension(param(ph)%sum_N_tr) :: &
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dot_gamma_tr
simplified dotState
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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
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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))
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
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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
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fixing indentation always 2 spaces, not 1 for the first level
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slipState: do i = 1, prm%sum_N_sl
numpy name
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tau = math_tensordot(Mp,prm%P_sl(1:3,1:3,i))
fixing indentation always 2 spaces, not 1 for the first level
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significantSlipStress: if (dEq0(tau)) then
dot_rho_dip_formation(i) = 0.0_pReal
dot_rho_dip_climb(i) = 0.0_pReal
else significantSlipStress
rho_dip_distance = 3.0_pReal*prm%mu*prm%b_sl(i)/(16.0_pReal*PI*abs(tau))
default name
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rho_dip_distance = math_clip(rho_dip_distance, right = dst%Lambda_sl(i,me))
fixing indentation always 2 spaces, not 1 for the first level
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rho_dip_distance = math_clip(rho_dip_distance, left = rho_dip_distance_min(i))
if (prm%dipoleFormation) then
dot_rho_dip_formation(i) = 2.0_pReal*(rho_dip_distance-rho_dip_distance_min(i))/prm%b_sl(i) &
default name
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* stt%rho_mob(i,me)*abs(dot_gamma_sl(i))
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else
dot_rho_dip_formation(i) = 0.0_pReal
endif
if (dEq(rho_dip_distance,rho_dip_distance_min(i))) then
dot_rho_dip_climb(i) = 0.0_pReal
else
!@details: Refer: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
sigma_cl = dot_product(prm%n0_sl(1:3,i),matmul(Mp,prm%n0_sl(1:3,i)))
style unification, no enums for output
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if (prm%ExtendedDislocations) then
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
fixing indentation always 2 spaces, not 1 for the first level
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b_d = 24.0_pReal*PI*(1.0_pReal - prm%nu)/(2.0_pReal + prm%nu)* Gamma/(prm%mu*prm%b_sl(i))
else
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b_d = 1.0_pReal
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endif
continue with parameter name change Names with conflicts not changed yet
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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
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* (exp(abs(sigma_cl)*prm%b_sl(i)**3.0_pReal/(kB*T)) - 1.0_pReal)
style unification, no enums for output
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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
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/ (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
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- 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
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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
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- dot_rho_dip_climb
separation by instance does not add any value
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call kinetics_twin(Mp,T,dot_gamma_sl,ph,me,dot_gamma_twin)
default name
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dot%f_tw(:,me) = f_unrotated*dot_gamma_twin/prm%gamma_char
fixing indentation always 2 spaces, not 1 for the first level
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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.
2011-04-13 17:21:46 +05:30
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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fixing indentation always 2 spaces, not 1 for the first level
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integer, intent(in) :: &
separation by instance does not add any value
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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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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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real(pReal) :: &
sumf_twin,Gamma,sumf_trans
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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inv_lambda_sl_sl, & !< 1/mean free distance between 2 forest dislocations seen by a moving dislocation
inv_lambda_sl_tw, & !< 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation
inv_lambda_sl_tr !< 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation
separation by instance does not add any value
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real(pReal), dimension(param(ph)%sum_N_tw) :: &
fixing indentation always 2 spaces, not 1 for the first level
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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
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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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
style unification, no enums for output
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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))
style unification, no enums for output
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default name
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sumf_twin = sum(stt%f_tw(1:prm%sum_N_tw,me))
sumf_trans = 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
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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!* 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 ...
works for elasticity only
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f_over_t_tr = sumf_trans/prm%t_tr ! but this not
! ToDo ...Physically correct, but naming could be adjusted
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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inv_lambda_sl_sl = sqrt(matmul(prm%forestProjection, &
default name
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stt%rho_mob(:,me)+stt%rho_dip(:,me)))/prm%i_sl
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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if (prm%sum_N_tw > 0 .and. prm%sum_N_sl > 0) &
inv_lambda_sl_tw = matmul(prm%h_sl_tw,f_over_t_tw)/(1.0_pReal-sumf_twin)
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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inv_lambda_tw_tw = matmul(prm%h_tw_tw,f_over_t_tw)/(1.0_pReal-sumf_twin)
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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if (prm%sum_N_tr > 0 .and. prm%sum_N_sl > 0) &
inv_lambda_sl_tr = matmul(prm%h_sl_tr,f_over_t_tr)/(1.0_pReal-sumf_trans)
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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inv_lambda_tr_tr = matmul(prm%h_tr_tr,f_over_t_tr)/(1.0_pReal-sumf_trans)
style unification, no enums for output
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works for elasticity only
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if ((prm%sum_N_tw > 0) .or. (prm%sum_N_tr > 0)) then ! ToDo: better logic needed here
default name
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dst%Lambda_sl(:,me) = prm%D &
fixing indentation always 2 spaces, not 1 for the first level
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/ (1.0_pReal+prm%D*(inv_lambda_sl_sl + inv_lambda_sl_tw + inv_lambda_sl_tr))
else
default name
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dst%Lambda_sl(:,me) = prm%D &
fixing indentation always 2 spaces, not 1 for the first level
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/ (1.0_pReal+prm%D*inv_lambda_sl_sl) !!!!!! correct?
endif
style unification, no enums for output
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default name
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dst%Lambda_tw(:,me) = prm%i_tw*prm%D/(1.0_pReal+prm%D*inv_lambda_tw_tw)
dst%Lambda_tr(:,me) = prm%i_tr*prm%D/(1.0_pReal+prm%D*inv_lambda_tr_tr)
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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!* 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)))
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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!* 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?
fixing indentation always 2 spaces, not 1 for the first level
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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
style unification, no enums for output
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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))
style unification, no enums for output
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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
2020-06-17 03:13:15 +05:30
'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
2019-03-22 16:02:55 +05:30
dot_gamma_sl,ddot_gamma_dtau_slip,tau_slip)
introduced kinetics, not in use yet
2018-09-12 16:55:18 +05:30
fixing indentation always 2 spaces, not 1 for the first level
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real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T !< temperature
integer, intent(in) :: &
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) :: &
fixing indentation always 2 spaces, not 1 for the first level
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dot_gamma_sl
separation by instance does not add any value
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real(pReal), dimension(param(ph)%sum_N_sl), optional, intent(out) :: &
fixing indentation always 2 spaces, not 1 for the first level
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ddot_gamma_dtau_slip, &
tau_slip
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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ddot_gamma_dtau
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) :: &
fixing indentation always 2 spaces, not 1 for the first level
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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))
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
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do i = 1, prm%sum_N_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
2020-09-22 18:32:24 +05:30
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
2020-02-01 02:07:18 +05:30
v_run_inverse = prm%B/(tau_eff*prm%b_sl)
style unification, no enums for output
2020-02-14 13:53:09 +05:30
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
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
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
2020-02-14 13:53:09 +05:30
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
end associate
style unification, no enums for output
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fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
if(present(ddot_gamma_dtau_slip)) ddot_gamma_dtau_slip = ddot_gamma_dtau
if(present(tau_slip)) tau_slip = tau
style unification, no enums for output
2020-02-14 13:53:09 +05:30
mean velocity of dislocation corrected for higher temperatures - v_wait: obstacle spacing over waiting time (effective velocity) - v_run: 'true' velocity of a dislocation moving between obstacles for higher temperatures v_run becomes important and bounds the velocity
2018-10-02 19:26:18 +05:30
end subroutine kinetics_slip
passing in instance and of is much easier also using always the full Mandel stress tensor to avoid repeated conversion
2018-10-02 01:44:54 +05:30
avoid code doubling shear rates needed multiple times. For now, just introduced but not used. Will become active once the test passes again
2018-09-13 01:37:59 +05:30
!--------------------------------------------------------------------------------------------------
style unification, no enums for output
2020-02-14 13:53:09 +05:30
!> @brief Calculate shear rates on twin systems and their derivatives with respect to resolved
! stress.
!> @details Derivatives are calculated only optionally.
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end.
avoid code doubling shear rates needed multiple times. For now, just introduced but not used. Will become active once the test passes again
2018-09-13 01:37:59 +05:30
!--------------------------------------------------------------------------------------------------
separation by instance does not add any value
2021-02-14 11:36:14 +05:30
pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,ph,me,&
[skip ci] adjusting to disloUCLA
2019-03-22 16:02:55 +05:30
dot_gamma_twin,ddot_gamma_dtau_twin)
avoid code doubling shear rates needed multiple times. For now, just introduced but not used. Will become active once the test passes again
2018-09-13 01:37:59 +05:30
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T !< temperature
integer, intent(in) :: &
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
2020-02-01 02:07:18 +05:30
dot_gamma_sl
style unification, no enums for output
2020-02-14 13:53:09 +05:30
separation by instance does not add any value
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real(pReal), dimension(param(ph)%sum_N_tw), intent(out) :: &
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
dot_gamma_twin
separation by instance does not add any value
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real(pReal), dimension(param(ph)%sum_N_tw), optional, intent(out) :: &
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
ddot_gamma_dtau_twin
style unification, no enums for output
2020-02-14 13:53:09 +05:30
separation by instance does not add any value
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real, dimension(param(ph)%sum_N_tw) :: &
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
tau, &
Ndot0, &
stressRatio_r, &
ddot_gamma_dtau
style unification, no enums for output
2020-02-14 13:53:09 +05:30
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
integer :: i,s1,s2
style unification, no enums for output
2020-02-14 13:53:09 +05:30
separation by instance does not add any value
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associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
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
do i = 1, prm%sum_N_tw
numpy name
2020-03-16 23:13:04 +05:30
tau(i) = math_tensordot(Mp,prm%P_tw(1:3,1:3,i))
fixing indentation always 2 spaces, not 1 for the first level
2020-02-01 02:07:18 +05:30
isFCC: if (prm%fccTwinTransNucleation) then
s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i)
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))*&
default name
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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
dot_gamma_twin = prm%gamma_char * dst%V_tw(:,me) * Ndot0*exp(-StressRatio_r)
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ddot_gamma_dtau = (dot_gamma_twin*prm%r/tau)*StressRatio_r
else where significantStress
dot_gamma_twin = 0.0_pReal
ddot_gamma_dtau = 0.0_pReal
end where significantStress
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end associate
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if(present(ddot_gamma_dtau_twin)) ddot_gamma_dtau_twin = 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,&
[skip ci] adjusting to disloUCLA
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dot_gamma_tr,ddot_gamma_dtau_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) :: &
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ddot_gamma_dtau_trans
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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))*&
default name
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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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if(present(ddot_gamma_dtau_trans)) ddot_gamma_dtau_trans = 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