223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity
DAMASK_EICMD/src/plastic_disloUCLA.f90

711 lines
32 KiB
Fortran
Raw Normal View History

cleaning up, removing unused variables and variable initialisation
2015-04-21 20:46:13 +05:30
!--------------------------------------------------------------------------------------------------
corrected substraction by volume fraction of twin for LpAndItsTangent and removed the substraction in postResults (like for dislowtin) cleaned up and unified notation in calculation of slip rates
2014-11-06 00:41:09 +05:30
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author David Cereceda, Lawrence Livermore National Laboratory
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
mutual best practise phenopowerlaw <-> disloUCLA
2019-01-06 04:03:18 +05:30
!> @brief crystal plasticity model for bcc metals, especially Tungsten
corrected substraction by volume fraction of twin for LpAndItsTangent and removed the substraction in postResults (like for dislowtin) cleaned up and unified notation in calculation of slip rates
2014-11-06 00:41:09 +05:30
!--------------------------------------------------------------------------------------------------
deleted unused variables in dislo UCLA
2015-01-21 20:44:00 +05:30
module plastic_disloUCLA
fixed indentation
2019-03-22 15:25:17 +05:30
use prec, only: &
pReal
implicit none
private
integer, dimension(:,:), allocatable, target, public :: &
plastic_disloUCLA_sizePostResult !< size of each post result output
character(len=64), dimension(:,:), allocatable, target, public :: &
plastic_disloUCLA_output !< name of each post result output
real(pReal), parameter, private :: &
kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
enum, bind(c)
enumerator :: &
undefined_ID, &
rho_mob_ID, &
rho_dip_ID, &
dot_gamma_sl_ID, &
gamma_sl_ID, &
Lambda_sl_ID, &
thresholdstress_ID
end enum
type, private :: tParameters
real(pReal) :: &
aTol_rho, &
D, & !< grain size
mu, &
D_0, & !< prefactor for self-diffusion coefficient
Q_cl !< activation energy for dislocation climb
real(pReal), dimension(:), allocatable :: &
rho_mob_0, & !< initial dislocation density
rho_dip_0, & !< initial dipole density
b_sl, & !< magnitude of burgers vector [m]
nonSchmidCoeff, &
D_a, &
i_sl, & !< Adj. parameter for distance between 2 forest dislocations
atomicVolume, &
tau_0, &
!* mobility law parameters
delta_F, & !< activation energy for glide [J]
v0, & !< dislocation velocity prefactor [m/s]
p, & !< p-exponent in glide velocity
q, & !< q-exponent in glide velocity
B, & !< friction coefficient
kink_height, & !< height of the kink pair
w, & !< width of the kink pair
omega !< attempt frequency for kink pair nucleation
real(pReal), dimension(:,:), allocatable :: &
h_sl_sl, & !< slip resistance from slip activity
forestProjectionEdge
real(pReal), dimension(:,:,:), allocatable :: &
Schmid, &
nonSchmid_pos, &
nonSchmid_neg
integer :: &
sum_N_sl !< total number of active slip system
integer, dimension(:), allocatable :: &
N_sl !< number of active slip systems for each family
integer(kind(undefined_ID)), dimension(:),allocatable :: &
outputID !< ID of each post result output
logical :: &
dipoleFormation !< flag indicating consideration of dipole formation
end type !< container type for internal constitutive parameters
type, private :: tDisloUCLAState
real(pReal), dimension(:,:), pointer :: &
rho_mob, &
rho_dip, &
gamma_sl
end type tDisloUCLAState
type, private :: tDisloUCLAdependentState
real(pReal), dimension(:,:), allocatable :: &
Lambda_sl, &
threshold_stress
end type tDisloUCLAdependentState
cleanding dependentState/microstructure don't need to be part of the complex state handling
2018-11-29 12:44:20 +05:30
make similarity of state/param structure clear
2019-01-13 21:33:49 +05:30
!--------------------------------------------------------------------------------------------------
! containers for parameters and state
fixed indentation
2019-03-22 15:25:17 +05:30
type(tParameters), allocatable, dimension(:), private :: param
type(tDisloUCLAState), allocatable, dimension(:), private :: &
dotState, &
state
type(tDisloUCLAdependentState), allocatable, dimension(:), private :: dependentState
public :: &
plastic_disloUCLA_init, &
plastic_disloUCLA_dependentState, &
plastic_disloUCLA_LpAndItsTangent, &
plastic_disloUCLA_dotState, &
plastic_disloUCLA_postResults, &
plastic_disloUCLA_results
private :: &
kinetics
function to initialize absolute tolerance for state not needed
2018-11-28 21:42:06 +05:30
corrected substraction by volume fraction of twin for LpAndItsTangent and removed the substraction in postResults (like for dislowtin) cleaned up and unified notation in calculation of slip rates
2014-11-06 00:41:09 +05:30
contains
cross comparing
2019-01-07 12:34:02 +05:30
corrected substraction by volume fraction of twin for LpAndItsTangent and removed the substraction in postResults (like for dislowtin) cleaned up and unified notation in calculation of slip rates
2014-11-06 00:41:09 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
simplified API + general polishing
2018-12-05 02:03:32 +05:30
subroutine plastic_disloUCLA_init()
fixed indentation
2019-03-22 15:25:17 +05:30
use prec, only: &
pStringLen
use debug, only: &
debug_level,&
debug_constitutive,&
debug_levelBasic
use math, only: &
math_expand
use IO, only: &
IO_error
complicated use statements confuse CMake probably we should adopt a similar "use" policy in Fortran as recommended for Python "import" and have all imports at the beginning https://www.python.org/dev/peps/pep-0008/
2019-04-18 19:00:54 +05:30
use material
fixed indentation
2019-03-22 15:25:17 +05:30
use config, only: &
config_phase
use lattice
integer :: &
Ninstance, &
p, i, &
NipcMyPhase, &
sizeState, sizeDotState, &
startIndex, endIndex
integer, dimension(0), parameter :: emptyIntArray = [integer::]
real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::]
character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::]
integer(kind(undefined_ID)) :: &
outputID
character(len=pStringLen) :: &
extmsg = ''
character(len=65536), dimension(:), allocatable :: &
outputs
write(6,'(/,a)') ' <<<+- plastic_'//PLASTICITY_DISLOUCLA_label//' init -+>>>'
write(6,'(/,a)') ' Cereceda et al., International Journal of Plasticity 78:242–256, 2016'
write(6,'(a)') ' https://dx.doi.org/10.1016/j.ijplas.2015.09.002'
Ninstance = count(phase_plasticity == PLASTICITY_DISLOUCLA_ID)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
allocate(plastic_disloUCLA_sizePostResult(maxval(phase_Noutput),Ninstance),source=0)
allocate(plastic_disloUCLA_output(maxval(phase_Noutput),Ninstance))
plastic_disloUCLA_output = ''
allocate(param(Ninstance))
allocate(state(Ninstance))
allocate(dotState(Ninstance))
allocate(dependentState(Ninstance))
do p = 1, size(phase_plasticity)
if (phase_plasticity(p) /= PLASTICITY_DISLOUCLA_ID) cycle
associate(prm => param(phase_plasticityInstance(p)), &
dot => dotState(phase_plasticityInstance(p)), &
stt => state(phase_plasticityInstance(p)), &
dst => dependentState(phase_plasticityInstance(p)), &
config => config_phase(p))
introducing parameter structure
2018-11-28 00:30:45 +05:30
mutual best practise phenopowerlaw <-> disloUCLA
2019-01-06 04:03:18 +05:30
!--------------------------------------------------------------------------------------------------
! optional parameters that need to be defined
fixed indentation
2019-03-22 15:25:17 +05:30
prm%mu = lattice_mu(p)
prm%aTol_rho = config%getFloat('atol_rho')
! sanity checks
if (prm%aTol_rho <= 0.0_pReal) extmsg = trim(extmsg)//' atol_rho'
mutual best practise phenopowerlaw <-> disloUCLA
2019-01-06 04:03:18 +05:30
introducing parameter structure
2018-11-28 00:30:45 +05:30
!--------------------------------------------------------------------------------------------------
! slip related parameters
fixed indentation
2019-03-22 15:25:17 +05:30
prm%N_sl = config%getInts('nslip',defaultVal=emptyIntArray)
prm%sum_N_sl = sum(prm%N_sl)
slipActive: if (prm%sum_N_sl > 0) then
prm%Schmid = lattice_SchmidMatrix_slip(prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
if(trim(config%getString('lattice_structure')) == 'bcc') then
prm%nonSchmidCoeff = config%getFloats('nonschmid_coefficients',&
defaultVal = emptyRealArray)
prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%N_sl,prm%nonSchmidCoeff,+1)
prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%N_sl,prm%nonSchmidCoeff,-1)
else
prm%nonSchmid_pos = prm%Schmid
prm%nonSchmid_neg = prm%Schmid
endif
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
prm%h_sl_sl = lattice_interaction_SlipBySlip(prm%N_sl, &
fixed indentation
2019-03-22 15:25:17 +05:30
config%getFloats('interaction_slipslip'), &
to transpose already when constructing the interaction matrix
2019-04-13 04:16:27 +05:30
config%getString('lattice_structure'))
fixed indentation
2019-03-22 15:25:17 +05:30
prm%forestProjectionEdge = lattice_forestProjection(prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%rho_mob_0 = config%getFloats('rhoedge0', requiredSize=size(prm%N_sl))
prm%rho_dip_0 = config%getFloats('rhoedgedip0', requiredSize=size(prm%N_sl))
prm%v0 = config%getFloats('v0', requiredSize=size(prm%N_sl))
prm%b_sl = config%getFloats('slipburgers', requiredSize=size(prm%N_sl))
prm%delta_F = config%getFloats('qedge', requiredSize=size(prm%N_sl))
prm%i_sl = config%getFloats('clambdaslip', requiredSize=size(prm%N_sl))
prm%tau_0 = config%getFloats('tau_peierls', requiredSize=size(prm%N_sl))
prm%p = config%getFloats('p_slip', requiredSize=size(prm%N_sl), &
defaultVal=[(1.0_pReal,i=1,size(prm%N_sl))])
prm%q = config%getFloats('q_slip', requiredSize=size(prm%N_sl), &
defaultVal=[(1.0_pReal,i=1,size(prm%N_sl))])
prm%kink_height = config%getFloats('kink_height', requiredSize=size(prm%N_sl))
prm%w = config%getFloats('kink_width', requiredSize=size(prm%N_sl))
prm%omega = config%getFloats('omega', requiredSize=size(prm%N_sl))
prm%B = config%getFloats('friction_coeff', requiredSize=size(prm%N_sl))
prm%D = config%getFloat('grainsize')
prm%D_0 = config%getFloat('d0')
prm%Q_cl = config%getFloat('qsd')
prm%atomicVolume = config%getFloat('catomicvolume') * prm%b_sl**3.0_pReal
prm%D_a = config%getFloat('cedgedipmindistance') * prm%b_sl
prm%dipoleformation = config%getFloat('dipoleformationfactor') > 0.0_pReal !should be on by default, ToDo: change to /key/-type key
! expand: family => system
prm%rho_mob_0 = math_expand(prm%rho_mob_0, prm%N_sl)
prm%rho_dip_0 = math_expand(prm%rho_dip_0, prm%N_sl)
prm%q = math_expand(prm%q, prm%N_sl)
prm%p = math_expand(prm%p, prm%N_sl)
prm%delta_F = math_expand(prm%delta_F, prm%N_sl)
prm%b_sl = math_expand(prm%b_sl, prm%N_sl)
prm%kink_height = math_expand(prm%kink_height, prm%N_sl)
prm%w = math_expand(prm%w, prm%N_sl)
prm%omega = math_expand(prm%omega, prm%N_sl)
prm%tau_0 = math_expand(prm%tau_0, prm%N_sl)
prm%v0 = math_expand(prm%v0, prm%N_sl)
prm%B = math_expand(prm%B, prm%N_sl)
prm%i_sl = math_expand(prm%i_sl, prm%N_sl)
prm%atomicVolume = math_expand(prm%atomicVolume, prm%N_sl)
prm%D_a = math_expand(prm%D_a, prm%N_sl)
! sanity checks
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(prm%rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedge0'
if (any(prm%rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rhoedgedip0'
if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//' v0'
if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' slipb_sl'
if (any(prm%delta_F <= 0.0_pReal)) extmsg = trim(extmsg)//' qedge'
if (any(prm%tau_0 < 0.0_pReal)) extmsg = trim(extmsg)//' tau_0'
if (any(prm%D_a <= 0.0_pReal)) extmsg = trim(extmsg)//' cedgedipmindistance or slipb_sl'
if (any(prm%atomicVolume <= 0.0_pReal)) extmsg = trim(extmsg)//' catomicvolume or slipb_sl'
else slipActive
allocate(prm%rho_mob_0(0))
allocate(prm%rho_dip_0(0))
endif slipActive
parameters from old 22-NewStyle branch
2018-11-28 10:29:03 +05:30
mutual best practise phenopowerlaw <-> disloUCLA
2019-01-06 04:03:18 +05:30
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
fixed indentation
2019-03-22 15:25:17 +05:30
if (extmsg /= '') &
call IO_error(211,ext_msg=trim(extmsg)//'('//PLASTICITY_DISLOUCLA_label//')')
parameters from old 22-NewStyle branch
2018-11-28 10:29:03 +05:30
mutual best practise phenopowerlaw <-> disloUCLA
2019-01-06 04:03:18 +05:30
!--------------------------------------------------------------------------------------------------
! output pararameters
fixed indentation
2019-03-22 15:25:17 +05:30
outputs = config%getStrings('(output)',defaultVal=emptyStringArray)
allocate(prm%outputID(0))
do i=1, size(outputs)
outputID = undefined_ID
select case(trim(outputs(i)))
case ('edge_density')
outputID = merge(rho_mob_ID,undefined_ID,prm%sum_N_sl>0)
case ('dipole_density')
outputID = merge(rho_dip_ID,undefined_ID,prm%sum_N_sl>0)
case ('shear_rate','shearrate','shear_rate_slip','shearrate_slip')
outputID = merge(dot_gamma_sl_ID,undefined_ID,prm%sum_N_sl>0)
case ('accumulated_shear','accumulatedshear','accumulated_shear_slip')
outputID = merge(gamma_sl_ID,undefined_ID,prm%sum_N_sl>0)
case ('mfp','mfp_slip')
outputID = merge(Lambda_sl_ID,undefined_ID,prm%sum_N_sl>0)
case ('threshold_stress','threshold_stress_slip')
outputID = merge(thresholdstress_ID,undefined_ID,prm%sum_N_sl>0)
end select
if (outputID /= undefined_ID) then
plastic_disloUCLA_output(i,phase_plasticityInstance(p)) = outputs(i)
plastic_disloUCLA_sizePostResult(i,phase_plasticityInstance(p)) = prm%sum_N_sl
prm%outputID = [prm%outputID, outputID]
endif
enddo
corrected substraction by volume fraction of twin for LpAndItsTangent and removed the substraction in postResults (like for dislowtin) cleaned up and unified notation in calculation of slip rates
2014-11-06 00:41:09 +05:30
!--------------------------------------------------------------------------------------------------
! allocate state arrays
fixed indentation
2019-03-22 15:25:17 +05:30
NipcMyPhase = count(material_phase == p)
sizeDotState = size(['rho_mob ','rho_dip ','gamma_sl']) * prm%sum_N_sl
sizeState = sizeDotState
call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0, &
prm%sum_N_sl,0,0)
plasticState(p)%sizePostResults = sum(plastic_disloUCLA_sizePostResult(:,phase_plasticityInstance(p)))
polishing
2018-12-05 03:00:07 +05:30
mutual best practise phenopowerlaw <-> disloUCLA
2019-01-06 04:03:18 +05:30
!--------------------------------------------------------------------------------------------------
! locally defined state aliases and initialization of state0 and aTolState
fixed indentation
2019-03-22 15:25:17 +05:30
startIndex = 1
endIndex = prm%sum_N_sl
stt%rho_mob=>plasticState(p)%state(startIndex:endIndex,:)
stt%rho_mob= spread(prm%rho_mob_0,2,NipcMyPhase)
dot%rho_mob=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_rho
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
stt%rho_dip=>plasticState(p)%state(startIndex:endIndex,:)
stt%rho_dip= spread(prm%rho_dip_0,2,NipcMyPhase)
dot%rho_dip=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = prm%aTol_rho
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
stt%gamma_sl=>plasticState(p)%state(startIndex:endIndex,:)
dot%gamma_sl=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal ! Don't use for convergence check
! global alias
plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%accumulatedSlip => plasticState(p)%state(startIndex:endIndex,:)
allocate(dst%Lambda_sl(prm%sum_N_sl,NipcMyPhase), source=0.0_pReal)
allocate(dst%threshold_stress(prm%sum_N_sl,NipcMyPhase), source=0.0_pReal)
plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
end associate
enddo
simplified
2018-12-04 04:36:46 +05:30
deleted unused variables in dislo UCLA
2015-01-21 20:44:00 +05:30
end subroutine plastic_disloUCLA_init
corrected substraction by volume fraction of twin for LpAndItsTangent and removed the substraction in postResults (like for dislowtin) cleaned up and unified notation in calculation of slip rates
2014-11-06 00:41:09 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief calculates plastic velocity gradient and its tangent
!--------------------------------------------------------------------------------------------------
fixed indentation
2019-03-22 15:25:17 +05:30
pure subroutine plastic_disloUCLA_LpAndItsTangent(Lp,dLp_dMp, &
Mp,T,instance,of)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp !< derivative of Lp with respect to the Mandel stress
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T !< temperature
integer, intent(in) :: &
instance, &
of
integer :: &
i,k,l,m,n
real(pReal), dimension(param(instance)%sum_N_sl) :: &
dot_gamma_pos,dot_gamma_neg, &
ddot_gamma_dtau_pos,ddot_gamma_dtau_neg
Lp = 0.0_pReal
dLp_dMp = 0.0_pReal
associate(prm => param(instance))
call kinetics(Mp,T,instance,of,dot_gamma_pos,dot_gamma_neg,ddot_gamma_dtau_pos,ddot_gamma_dtau_neg)
do i = 1, prm%sum_N_sl
Lp = Lp + (dot_gamma_pos(i)+dot_gamma_neg(i))*prm%Schmid(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_pos(i) * prm%Schmid(k,l,i) * prm%nonSchmid_pos(m,n,i) &
+ ddot_gamma_dtau_neg(i) * prm%Schmid(k,l,i) * prm%nonSchmid_neg(m,n,i)
enddo
end associate
calculating Lp is simple if appropriate data structures are used
2018-11-29 03:08:14 +05:30
deleted unused variables in dislo UCLA
2015-01-21 20:44:00 +05:30
end subroutine plastic_disloUCLA_LpAndItsTangent
corrected substraction by volume fraction of twin for LpAndItsTangent and removed the substraction in postResults (like for dislowtin) cleaned up and unified notation in calculation of slip rates
2014-11-06 00:41:09 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief calculates the rate of change of microstructure
!--------------------------------------------------------------------------------------------------
more renames
2019-03-20 21:22:43 +05:30
subroutine plastic_disloUCLA_dotState(Mp,T,instance,of)
fixed indentation
2019-03-22 15:25:17 +05:30
use prec, only: &
tol_math_check, &
dEq0
use math, only: &
PI, &
math_clip
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T !< temperature
integer, intent(in) :: &
instance, &
of
real(pReal) :: &
VacancyDiffusion
real(pReal), dimension(param(instance)%sum_N_sl) :: &
gdot_pos, gdot_neg,&
tau_pos,&
tau_neg, &
internal variable names also adjusted
2019-03-22 15:36:08 +05:30
v_cl, &
dot_rho_dip_formation, &
dot_rho_dip_climb, &
dip_distance
fixed indentation
2019-03-22 15:25:17 +05:30
associate(prm => param(instance), stt => state(instance),dot => dotState(instance), dst => dependentState(instance))
call kinetics(Mp,T,instance,of,&
gdot_pos,gdot_neg, &
tau_pos_out = tau_pos,tau_neg_out = tau_neg)
dot%gamma_sl(:,of) = (gdot_pos+gdot_neg) ! ToDo: needs to be abs
VacancyDiffusion = prm%D_0*exp(-prm%Q_cl/(kB*T))
where(dEq0(tau_pos)) ! ToDo: use avg of pos and neg
internal variable names also adjusted
2019-03-22 15:36:08 +05:30
dot_rho_dip_formation = 0.0_pReal
dot_rho_dip_climb = 0.0_pReal
fixed indentation
2019-03-22 15:25:17 +05:30
else where
internal variable names also adjusted
2019-03-22 15:36:08 +05:30
dip_distance = math_clip(3.0_pReal*prm%mu*prm%b_sl/(16.0_pReal*PI*abs(tau_pos)), &
prm%D_a, & ! lower limit
dst%Lambda_sl(:,of)) ! upper limit
dot_rho_dip_formation = merge(2.0_pReal*dip_distance* stt%rho_mob(:,of)*abs(dot%gamma_sl(:,of))/prm%b_sl, & ! ToDo: ignore region of spontaneous annihilation
0.0_pReal, &
prm%dipoleformation)
fixed indentation
2019-03-22 15:25:17 +05:30
v_cl = (3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume/(2.0_pReal*pi*kB*T)) &
internal variable names also adjusted
2019-03-22 15:36:08 +05:30
* (1.0_pReal/(dip_distance+prm%D_a))
dot_rho_dip_climb = (4.0_pReal*v_cl*stt%rho_dip(:,of))/(dip_distance-prm%D_a) ! ToDo: Discuss with Franz: Stress dependency?
fixed indentation
2019-03-22 15:25:17 +05:30
end where
dot%rho_mob(:,of) = abs(dot%gamma_sl(:,of))/(prm%b_sl*dst%Lambda_sl(:,of)) & ! multiplication
internal variable names also adjusted
2019-03-22 15:36:08 +05:30
- dot_rho_dip_formation &
fixed indentation
2019-03-22 15:25:17 +05:30
- (2.0_pReal*prm%D_a)/prm%b_sl*stt%rho_mob(:,of)*abs(dot%gamma_sl(:,of)) ! Spontaneous annihilation of 2 single edge dislocations
internal variable names also adjusted
2019-03-22 15:36:08 +05:30
dot%rho_dip(:,of) = dot_rho_dip_formation &
fixed indentation
2019-03-22 15:25:17 +05:30
- (2.0_pReal*prm%D_a)/prm%b_sl*stt%rho_dip(:,of)*abs(dot%gamma_sl(:,of)) & ! Spontaneous annihilation of a single edge dislocation with a dipole constituent
internal variable names also adjusted
2019-03-22 15:36:08 +05:30
- dot_rho_dip_climb
fixed indentation
2019-03-22 15:25:17 +05:30
end associate
polishing
2018-12-05 03:00:07 +05:30
deleted unused variables in dislo UCLA
2015-01-21 20:44:00 +05:30
end subroutine plastic_disloUCLA_dotState
corrected substraction by volume fraction of twin for LpAndItsTangent and removed the substraction in postResults (like for dislowtin) cleaned up and unified notation in calculation of slip rates
2014-11-06 00:41:09 +05:30
polishing
2018-12-05 03:00:07 +05:30
have dotState after Lp/Li
2019-01-07 12:06:11 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state
!--------------------------------------------------------------------------------------------------
subroutine plastic_disloUCLA_dependentState(instance,of)
fixed indentation
2019-03-22 15:25:17 +05:30
integer, intent(in) :: &
instance, &
of
real(pReal), dimension(param(instance)%sum_N_sl) :: &
dislocationSpacing
integer :: &
i
associate(prm => param(instance), stt => state(instance),dst => dependentState(instance))
avoid explicit loops
2019-03-27 17:07:48 +05:30
forall (i = 1:prm%sum_N_sl) &
fixed indentation
2019-03-22 15:25:17 +05:30
dislocationSpacing(i) = sqrt(dot_product(stt%rho_mob(:,of)+stt%rho_dip(:,of), &
prm%forestProjectionEdge(:,i)))
avoid explicit loops
2019-03-27 17:07:48 +05:30
dst%threshold_stress(:,of) = prm%mu*prm%b_sl &
* sqrt(matmul(prm%h_sl_sl,stt%rho_mob(:,of)+stt%rho_dip(:,of)))
fixed indentation
2019-03-22 15:25:17 +05:30
dst%Lambda_sl(:,of) = prm%D/(1.0_pReal+prm%D*dislocationSpacing/prm%i_sl)
end associate
have dotState after Lp/Li
2019-01-07 12:06:11 +05:30
end subroutine plastic_disloUCLA_dependentState
corrected substraction by volume fraction of twin for LpAndItsTangent and removed the substraction in postResults (like for dislowtin) cleaned up and unified notation in calculation of slip rates
2014-11-06 00:41:09 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief return array of constitutive results
!--------------------------------------------------------------------------------------------------
final renames (for the moment)
2019-03-21 04:36:31 +05:30
function plastic_disloUCLA_postResults(Mp,T,instance,of) result(postResults)
fixed indentation
2019-03-22 15:25:17 +05:30
use prec, only: &
dEq, dNeq0
use math, only: &
PI, &
math_mul33xx33
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T !< temperature
integer, intent(in) :: &
instance, &
of
real(pReal), dimension(sum(plastic_disloUCLA_sizePostResult(:,instance))) :: &
postResults
integer :: &
internal variable names also adjusted
2019-03-22 15:36:08 +05:30
o,c
fixed indentation
2019-03-22 15:25:17 +05:30
real(pReal), dimension(param(instance)%sum_N_sl) :: &
gdot_pos,gdot_neg
c = 0
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
case (rho_mob_ID)
postResults(c+1:c+prm%sum_N_sl) = stt%rho_mob(1:prm%sum_N_sl,of)
case (rho_dip_ID)
postResults(c+1:c+prm%sum_N_sl) = stt%rho_dip(1:prm%sum_N_sl,of)
case (dot_gamma_sl_ID)
call kinetics(Mp,T,instance,of,gdot_pos,gdot_neg)
postResults(c+1:c+prm%sum_N_sl) = gdot_pos + gdot_neg
case (gamma_sl_ID)
postResults(c+1:c+prm%sum_N_sl) = stt%gamma_sl(1:prm%sum_N_sl, of)
case (Lambda_sl_ID)
postResults(c+1:c+prm%sum_N_sl) = dst%Lambda_sl(1:prm%sum_N_sl, of)
case (thresholdstress_ID)
postResults(c+1:c+prm%sum_N_sl) = dst%threshold_stress(1:prm%sum_N_sl,of)
end select
c = c + prm%sum_N_sl
enddo outputsLoop
end associate
calculation of shearrates etc in one function
2018-11-27 22:55:06 +05:30
end function plastic_disloUCLA_postResults
mutual best practise phenopowerlaw <-> disloUCLA
2019-01-06 04:03:18 +05:30
dummy HDF5 output for all plasticity laws
2019-03-10 01:13:31 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file
!--------------------------------------------------------------------------------------------------
subroutine plastic_disloUCLA_results(instance,group)
writing more results out
2019-04-04 11:22:36 +05:30
#if defined(PETSc) || defined(DAMASK_HDF5)
explicit import for some reasons, ifort does not resolve the specific subroutine for the writeDataset interace otherwise
2019-04-06 13:31:10 +05:30
use results, only: &
results_writeDataset
dummy HDF5 output for all plasticity laws
2019-03-10 01:13:31 +05:30
writing more results out
2019-04-04 11:22:36 +05:30
integer, intent(in) :: instance
character(len=*), intent(in) :: group
dummy HDF5 output for all plasticity laws
2019-03-10 01:13:31 +05:30
integer :: o
writing more results out
2019-04-04 11:22:36 +05:30
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
no pInt
2019-03-19 03:23:24 +05:30
outputsLoop: do o = 1,size(prm%outputID)
dummy HDF5 output for all plasticity laws
2019-03-10 01:13:31 +05:30
select case(prm%outputID(o))
writing more results out
2019-04-04 11:22:36 +05:30
case (rho_mob_ID)
call results_writeDataset(group,stt%rho_mob,'rho_mob',&
writing results out credits to Vitesh
2019-04-04 13:34:44 +05:30
'mobile dislocation density','1/m²')
writing more results out
2019-04-04 11:22:36 +05:30
case (rho_dip_ID)
call results_writeDataset(group,stt%rho_dip,'rho_dip',&
writing results out credits to Vitesh
2019-04-04 13:34:44 +05:30
'dislocation dipole density''1/m²')
writing more results out
2019-04-04 11:22:36 +05:30
case (dot_gamma_sl_ID)
call results_writeDataset(group,stt%gamma_sl,'dot_gamma_sl',&
some more outputs mainly done by Vitesh, copied it from other branch
2019-04-06 01:53:02 +05:30
'plastic shear','1')
writing more results out
2019-04-04 11:22:36 +05:30
case (Lambda_sl_ID)
call results_writeDataset(group,dst%Lambda_sl,'Lambda_sl',&
'mean free path for slip','m')
case (thresholdstress_ID)
call results_writeDataset(group,dst%threshold_stress,'threshold_stress',&
'threshold stress for slip','Pa')
dummy HDF5 output for all plasticity laws
2019-03-10 01:13:31 +05:30
end select
enddo outputsLoop
end associate
writing more results out
2019-04-04 11:22:36 +05:30
dummy HDF5 output for all plasticity laws
2019-03-10 01:13:31 +05:30
#else
writing more results out
2019-04-04 11:22:36 +05:30
integer, intent(in) :: instance
character(len=*), intent(in) :: group
dummy HDF5 output for all plasticity laws
2019-03-10 01:13:31 +05:30
#endif
end subroutine plastic_disloUCLA_results
whitespace not needed
2019-01-07 11:54:02 +05:30
!--------------------------------------------------------------------------------------------------
function description as for phenopowerlaw
2018-12-21 22:45:56 +05:30
!> @brief Shear rates on slip systems, their derivatives with respect to resolved stress and the
! resolved stresss
whitespace not needed
2019-01-07 11:54:02 +05:30
!> @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
calculation of shearrates etc in one function
2018-11-27 22:55:06 +05:30
!--------------------------------------------------------------------------------------------------
final renames (for the moment)
2019-03-21 04:36:31 +05:30
pure subroutine kinetics(Mp,T,instance,of, &
correct names for shear rates
2019-03-22 15:19:24 +05:30
dot_gamma_pos,dot_gamma_neg,ddot_gamma_dtau_pos,ddot_gamma_dtau_neg,tau_pos_out,tau_neg_out)
fixed indentation
2019-03-22 15:25:17 +05:30
use prec, only: &
tol_math_check, &
dEq, dNeq0
use math, only: &
PI, &
math_mul33xx33
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
real(pReal), intent(in) :: &
T !< temperature
integer, intent(in) :: &
instance, &
of
real(pReal), intent(out), dimension(param(instance)%sum_N_sl) :: &
dot_gamma_pos, &
dot_gamma_neg
real(pReal), intent(out), optional, dimension(param(instance)%sum_N_sl) :: &
ddot_gamma_dtau_pos, &
ddot_gamma_dtau_neg, &
tau_pos_out, &
tau_neg_out
real(pReal), dimension(param(instance)%sum_N_sl) :: &
StressRatio, &
StressRatio_p,StressRatio_pminus1, &
dvel, vel, &
tau_pos,tau_neg, &
t_n, t_k, dtk,dtn, &
needsGoodName ! ToDo: @Karo: any idea?
integer :: j
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
do j = 1, prm%sum_N_sl
tau_pos(j) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,j))
tau_neg(j) = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,j))
enddo
if (present(tau_pos_out)) tau_pos_out = tau_pos
if (present(tau_neg_out)) tau_neg_out = tau_neg
associate(BoltzmannRatio => prm%delta_F/(kB*T), &
dot_gamma_0 => stt%rho_mob(:,of)*prm%b_sl*prm%v0, &
effectiveLength => dst%Lambda_sl(:,of) - prm%w)
significantPositiveTau: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check)
StressRatio = (abs(tau_pos)-dst%threshold_stress(:,of))/prm%tau_0
StressRatio_p = StressRatio** prm%p
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
t_n = prm%b_sl/(needsGoodName*prm%omega*effectiveLength)
t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_pos) ! our definition of tk is different with the one in dislotwin
vel = prm%kink_height/(t_n + t_k)
dot_gamma_pos = dot_gamma_0 * sign(vel,tau_pos) * 0.5_pReal
else where significantPositiveTau
dot_gamma_pos = 0.0_pReal
end where significantPositiveTau
if (present(ddot_gamma_dtau_pos)) then
significantPositiveTau2: where(abs(tau_pos)-dst%threshold_stress(:,of) > tol_math_check)
correct signs (same behavior, but full math)
2019-03-22 15:28:54 +05:30
dtn = -1.0_pReal * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) &
fixed indentation
2019-03-22 15:25:17 +05:30
* (StressRatio)**(prm%p - 1.0_pReal) / prm%tau_0
correct signs (same behavior, but full math)
2019-03-22 15:28:54 +05:30
dtk = -1.0_pReal * t_k / tau_pos
Simplified tangent calculation, thx to Karo
2019-03-19 03:41:28 +05:30
correct signs (same behavior, but full math)
2019-03-22 15:28:54 +05:30
dvel = -1.0_pReal * prm%kink_height * (dtk + dtn) / (t_n + t_k)**2.0_pReal
fixed indentation
2019-03-22 15:25:17 +05:30
ddot_gamma_dtau_pos = dot_gamma_0 * dvel* 0.5_pReal
else where significantPositiveTau2
ddot_gamma_dtau_pos = 0.0_pReal
end where significantPositiveTau2
endif
significantNegativeTau: where(abs(tau_neg)-dst%threshold_stress(:,of) > tol_math_check)
StressRatio = (abs(tau_neg)-dst%threshold_stress(:,of))/prm%tau_0
StressRatio_p = StressRatio** prm%p
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
needsGoodName = exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)
t_n = prm%b_sl/(needsGoodName*prm%omega*effectiveLength)
t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_pos) ! our definition of tk is different with the one in dislotwin
more name adjustments
2019-03-19 10:40:23 +05:30
fixed indentation
2019-03-22 15:25:17 +05:30
vel = prm%kink_height/(t_n + t_k)
dot_gamma_neg = dot_gamma_0 * sign(vel,tau_neg) * 0.5_pReal
else where significantNegativeTau
dot_gamma_neg = 0.0_pReal
end where significantNegativeTau
if (present(ddot_gamma_dtau_neg)) then
significantNegativeTau2: where(abs(tau_neg)-dst%threshold_stress(:,of) > tol_math_check)
correct signs (same behavior, but full math)
2019-03-22 15:28:54 +05:30
dtn = -1.0_pReal * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) &
fixed indentation
2019-03-22 15:25:17 +05:30
* (StressRatio)**(prm%p - 1.0_pReal) / prm%tau_0
correct signs (same behavior, but full math)
2019-03-22 15:28:54 +05:30
dtk = -1.0_pReal * t_k / tau_neg
fixed indentation
2019-03-22 15:25:17 +05:30
correct signs (same behavior, but full math)
2019-03-22 15:28:54 +05:30
dvel = -1.0_pReal * prm%kink_height * (dtk + dtn) / (t_n + t_k)**2.0_pReal
fixed indentation
2019-03-22 15:25:17 +05:30
ddot_gamma_dtau_neg = dot_gamma_0 * dvel * 0.5_pReal
else where significantNegativeTau2
ddot_gamma_dtau_neg = 0.0_pReal
end where significantNegativeTau2
end if
end associate
end associate
simplified API + general polishing
2018-12-05 02:03:32 +05:30
calculation of shearrates etc in one function
2018-11-27 22:55:06 +05:30
end subroutine kinetics
corrected substraction by volume fraction of twin for LpAndItsTangent and removed the substraction in postResults (like for dislowtin) cleaned up and unified notation in calculation of slip rates
2014-11-06 00:41:09 +05:30
deleted unused variables in dislo UCLA
2015-01-21 20:44:00 +05:30
end module plastic_disloUCLA