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Merge branch 'development' into MiscImprovements

This commit is contained in:
Martin Diehl 2020-03-14 12:52:30 +01:00
parent 07ecf60722 c9754767e4
commit 5c4ddf5138
31 changed files with 1432 additions and 1745 deletions
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2
PRIVATE

@ -1 +1 @@
Subproject commit 9573ce7bd2c1a7188c1aac5b83aa76d480c2bdb0
Subproject commit d0d5b5a22be9778187b100214c782747793bb956

2
VERSION
View File

@ -1 +1 @@
v2.0.3-1849-g31136100
v2.0.3-1920-ge8c16e7f

2
examples/ConfigFiles/Phase_Isotropic_AluminumIsotropic.config
View File

@ -7,7 +7,7 @@ plasticity isotropic
(output) flowstress
(output) strainrate
lattice_structure isotropic
lattice_structure iso
c11 110.9e9
c12 58.34e9

4
examples/ConfigFiles/Phase_Isotropic_FreeSurface.config
View File

@ -12,7 +12,7 @@ plasticity isotropic
(output) flowstress
(output) strainrate
lattice_structure isotropic
lattice_structure iso
c11 10e9
c12 0.0
gdot0 0.001
@ -22,4 +22,4 @@ h0 1e6
n 5
m 3
a 2
atol_resistance 1
atol_resistance 1

3
examples/ConfigFiles/Phase_None_IsotropicVolumePreservation.config
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@ -1,9 +1,8 @@
[IsotropicVolumePreservation]
elasticity hooke
plasticity none
### Material parameters ###
lattice_structure isotropic
lattice_structure iso
C11 100.0e9
C12 66.6666667e9

4
examples/SpectralMethod/EshelbyInclusion/material.config
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@ -16,7 +16,7 @@ t0 330.0
#.................
[isotropic matrix]
lattice_structure isotropic
lattice_structure iso
plasticity none
{config/elastic_isotropic.config}
{config/thermal.config}
@ -45,7 +45,7 @@ plasticity none
#.................
[isotropic inclusion]
lattice_structure isotropic
lattice_structure iso
plasticity none
{config/elastic_isotropic.config}
{config/thermal.config}

9
python/damask/result.py
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@ -17,7 +17,7 @@ from . import Orientation
from . import Environment
from . import grid_filters
class Result():
class Result:
"""
Read and write to DADF5 files.
@ -925,10 +925,9 @@ class Result():
groups = self.groups_with_datasets(datasets.values())
default_arg = partial(self._job,func=func,datasets=datasets,args=args,lock=lock)
util.progressBar(iteration=0,total=len(groups))
for i,result in enumerate(pool.imap_unordered(default_arg,groups)):
util.progressBar(iteration=i+1,total=len(groups))
if not result: continue
for result in util.show_progress(pool.imap_unordered(default_arg,groups),len(groups)):
if not result:
continue
lock.acquire()
with h5py.File(self.fname, 'a') as f:
try:

126
python/damask/util.py
View File

@ -1,9 +1,9 @@
import sys
import time
import datetime
import os
import subprocess
import shlex
from fractions import Fraction
import fractions
from functools import reduce
from optparse import Option
@ -11,10 +11,10 @@ import numpy as np
class bcolors:
"""
ASCII Colors (Blender code).
ASCII Colors.
https://svn.blender.org/svnroot/bf-blender/trunk/blender/build_files/scons/tools/bcolors.py
http://stackoverflow.com/questions/287871/print-in-terminal-with-colors-using-python
https://stackoverflow.com/questions/287871
"""
HEADER = '\033[95m'
@ -38,18 +38,18 @@ class bcolors:
self.BOLD = ''
self.UNDERLINE = ''
self.CROSSOUT = ''
def srepr(arg,glue = '\n'):
r"""
Join arguments as individual lines.
Parameters
----------
arg : iterable
Items to join.
glue : str, optional
Defaults to \n.
Defaults to \n.
"""
if (not hasattr(arg, "strip") and
@ -62,13 +62,13 @@ def srepr(arg,glue = '\n'):
def croak(what, newline = True):
"""
Write formated to stderr.
Parameters
----------
what : str or iterable
Content to be displayed
newline : bool, optional
Separate items of what by newline. Defaults to True.
Separate items of what by newline. Defaults to True.
"""
if not what:
@ -165,63 +165,93 @@ class extendableOption(Option):
Option.take_action(self, action, dest, opt, value, values, parser)
def progressBar(iteration, total, prefix='', bar_length=50):
class _ProgressBar:
"""
Call in a loop to create terminal progress bar.
From https://gist.github.com/aubricus/f91fb55dc6ba5557fbab06119420dd6a
Report progress of an interation as a status bar.
Works for 0-based loops, ETA is estimated by linear extrapolation.
"""
def __init__(self,total,prefix,bar_length):
"""
Inititalize a progress bar to current time as basis for ETA estimation.
Parameters
----------
total : int
Total # of iterations.
prefix : str
Prefix string.
bar_length : int
Character length of bar.
"""
self.total = total
self.prefix = prefix
self.bar_length = bar_length
self.start_time = datetime.datetime.now()
self.last_fraction = 0.0
sys.stderr.write('{} {} 0% ETA n/a'.format(self.prefix, '░'*self.bar_length))
sys.stderr.flush()
def update(self,iteration):
fraction = (iteration+1) / self.total
if int(self.bar_length * fraction) > int(self.bar_length * self.last_fraction):
delta_time = datetime.datetime.now() - self.start_time
remaining_time = (self.total - (iteration+1)) * delta_time / (iteration+1)
remaining_time -= datetime.timedelta(microseconds=remaining_time.microseconds) # remove μs
filled_length = int(self.bar_length * fraction)
bar = '█' * filled_length + '░' * (self.bar_length - filled_length)
sys.stderr.write('\r{} {} {:>4.0%} ETA {}'.format(self.prefix, bar, fraction, remaining_time))
sys.stderr.flush()
self.last_fraction = fraction
if iteration == self.total - 1:
sys.stderr.write('\n')
sys.stderr.flush()
def show_progress(iterable,N_iter=None,prefix='',bar_length=50):
"""
Decorate a loop with a status bar.
Use similar like enumerate.
Parameters
----------
iteration : int
Current iteration.
total : int
Total iterations.
prefix : str, optional
iterable : iterable/function with yield statement
Iterable (or function with yield statement) to be decorated.
N_iter : int
Total # of iterations. Needed if number of iterations can not be obtained as len(iterable).
prefix : str, optional.
Prefix string.
bar_length : int, optional
Character length of bar. Defaults to 50.
"""
fraction = iteration / float(total)
if not hasattr(progressBar, "last_fraction"): # first call to function
progressBar.start_time = time.time()
progressBar.last_fraction = -1.0
remaining_time = ' n/a'
else:
if fraction <= progressBar.last_fraction or iteration == 0: # reset: called within a new loop
progressBar.start_time = time.time()
progressBar.last_fraction = -1.0
remaining_time = ' n/a'
else:
progressBar.last_fraction = fraction
remainder = (total - iteration) * (time.time()-progressBar.start_time)/iteration
remaining_time = '{: 3d}:'.format(int( remainder//3600)) + \
'{:02d}:'.format(int((remainder//60)%60)) + \
'{:02d}' .format(int( remainder %60))
status = _ProgressBar(N_iter if N_iter else len(iterable),prefix,bar_length)
filled_length = int(round(bar_length * fraction))
bar = '█' * filled_length + '░' * (bar_length - filled_length)
sys.stderr.write('\r{} {} {}'.format(prefix, bar, remaining_time)),
if iteration == total:
sys.stderr.write('\n')
sys.stderr.flush()
for i,item in enumerate(iterable):
yield item
status.update(i)
def scale_to_coprime(v):
"""Scale vector to co-prime (relatively prime) integers."""
MAX_DENOMINATOR = 1000
def get_square_denominator(x):
"""Denominator of the square of a number."""
return Fraction(x ** 2).limit_denominator(MAX_DENOMINATOR).denominator
return fractions.Fraction(x ** 2).limit_denominator(MAX_DENOMINATOR).denominator
def lcm(a, b):
"""Least common multiple."""
return a * b // np.gcd(a, b)
denominators = [int(get_square_denominator(i)) for i in v]
s = reduce(lcm, denominators) ** 0.5
m = (np.array(v)*s).astype(np.int)
@ -230,7 +260,7 @@ def scale_to_coprime(v):
class return_message():
"""Object with formatted return message."""
def __init__(self,message):
"""
Sets return message.
@ -242,7 +272,7 @@ class return_message():
"""
self.message = message
def __repr__(self):
"""Return message suitable for interactive shells."""
return srepr(self.message)

21
src/CPFEM.f90
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@ -27,9 +27,6 @@ module CPFEM
implicit none
private
real(pReal), parameter, private :: &
CPFEM_odd_stress = 1e15_pReal, & !< return value for stress in case of ping pong dummy cycle
CPFEM_odd_jacobian = 1e50_pReal !< return value for jacobian in case of ping pong dummy cycle
real(pReal), dimension (:,:,:), allocatable, private :: &
CPFEM_cs !< Cauchy stress
real(pReal), dimension (:,:,:,:), allocatable, private :: &
@ -150,7 +147,10 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
integer(pInt) elCP, & ! crystal plasticity element number
i, j, k, l, m, n, ph, homog, mySource
logical updateJaco ! flag indicating if JAcobian has to be updated
logical updateJaco ! flag indicating if Jacobian has to be updated
real(pReal), parameter :: ODD_STRESS = 1e15_pReal, & !< return value for stress in case of ping pong dummy cycle
ODD_JACOBIAN = 1e50_pReal !< return value for jacobian in case of ping pong dummy cycle
elCP = mesh_FEM2DAMASK_elem(elFE)
@ -193,8 +193,8 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
elseif (iand(mode, CPFEM_COLLECT) /= 0_pInt) then
call random_number(rnd)
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
CPFEM_cs(1:6,ip,elCP) = rnd * CPFEM_odd_stress
CPFEM_dcsde(1:6,1:6,ip,elCP) = CPFEM_odd_jacobian * math_identity2nd(6)
CPFEM_cs(1:6,ip,elCP) = rnd * ODD_STRESS
CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6)
chosenThermal2: select case (thermal_type(material_homogenizationAt(elCP)))
case (THERMAL_conduction_ID) chosenThermal2
temperature(material_homogenizationAt(elCP))%p(thermalMapping(material_homogenizationAt(elCP))%p(ip,elCP)) = &
@ -226,8 +226,8 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
endif
call random_number(rnd)
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
CPFEM_cs(1:6,ip,elCP) = rnd*CPFEM_odd_stress
CPFEM_dcsde(1:6,1:6,ip,elCP) = CPFEM_odd_jacobian*math_identity2nd(6)
CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6)
!*** deformation gradient is not outdated
@ -257,8 +257,8 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
call random_number(rnd)
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
CPFEM_cs(1:6,ip,elCP) = rnd * CPFEM_odd_stress
CPFEM_dcsde(1:6,1:6,ip,elCP) = CPFEM_odd_jacobian * math_identity2nd(6)
CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6)
else terminalIllness
@ -331,6 +331,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
end subroutine CPFEM_general
!--------------------------------------------------------------------------------------------------
!> @brief Forward data for new time increment.
!--------------------------------------------------------------------------------------------------

2
src/DAMASK_marc.f90
View File

@ -40,7 +40,7 @@ module DAMASK_interface
implicit none
private
logical, public :: symmetricSolver
logical, protected, public :: symmetricSolver
character(len=*), parameter, public :: INPUTFILEEXTENSION = '.dat'
public :: &

14
src/HDF5_utilities.f90
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@ -77,20 +77,6 @@ module HDF5_utilities
module procedure HDF5_addAttribute_real_array
end interface HDF5_addAttribute
!--------------------------------------------------------------------------------------------------
public :: &
HDF5_utilities_init, &
HDF5_openFile, &
HDF5_closeFile, &
HDF5_addAttribute, &
HDF5_closeGroup ,&
HDF5_openGroup, &
HDF5_addGroup, &
HDF5_read, &
HDF5_write, &
HDF5_setLink, &
HDF5_objectExists
contains

8
src/constitutive_plastic_dislotwin.f90
View File

@ -198,10 +198,10 @@ module subroutine plastic_dislotwin_init
prm%n0_sl = lattice_slip_normal(prm%N_sl,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%fccTwinTransNucleation = merge(.true., .false., lattice_structure(p) == LATTICE_FCC_ID) &
prm%fccTwinTransNucleation = merge(.true., .false., lattice_structure(p) == lattice_FCC_ID) &
.and. (prm%N_sl(1) == 12)
if(prm%fccTwinTransNucleation) &
prm%fcc_twinNucleationSlipPair = lattice_fcc_twinNucleationSlipPair
prm%fcc_twinNucleationSlipPair = lattice_FCC_TWINNUCLEATIONSLIPPAIR
prm%rho_mob_0 = config%getFloats('rhoedge0', requiredSize=size(prm%N_sl))
prm%rho_dip_0 = config%getFloats('rhoedgedip0',requiredSize=size(prm%N_sl))
@ -230,7 +230,7 @@ module subroutine plastic_dislotwin_init
prm%omega = config%getFloat('omega', defaultVal = 1000.0_pReal) &
* merge(12.0_pReal, &
8.0_pReal, &
lattice_structure(p) == LATTICE_FCC_ID .or. lattice_structure(p) == LATTICE_HEX_ID)
lattice_structure(p) == lattice_FCC_ID .or. lattice_structure(p) == lattice_HEX_ID)
! expand: family => system
@ -335,7 +335,7 @@ module subroutine plastic_dislotwin_init
config%getFloat('a_bcc', defaultVal=0.0_pReal), &
config%getFloat('a_fcc', defaultVal=0.0_pReal))
if (lattice_structure(p) /= LATTICE_fcc_ID) then
if (lattice_structure(p) /= lattice_FCC_ID) then
prm%dot_N_0_tr = config%getFloats('ndot0_trans')
prm%dot_N_0_tr = math_expand(prm%dot_N_0_tr,prm%N_tr)
endif

88
src/damage_local.f90
View File

@ -16,24 +16,18 @@ module damage_local
implicit none
private
enum, bind(c)
enumerator :: &
undefined_ID, &
damage_ID
end enum
type :: tParameters
integer(kind(undefined_ID)), dimension(:), allocatable :: &
outputID
character(len=pStringLen), allocatable, dimension(:) :: &
output
end type tParameters
type(tparameters), dimension(:), allocatable :: &
param
public :: &
damage_local_init, &
damage_local_updateState, &
damage_local_Results
damage_local_results
contains
@ -43,41 +37,30 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine damage_local_init
integer :: maxNinstance,o,NofMyHomog,h
character(len=pStringLen), dimension(:), allocatable :: outputs
write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_local_label//' init -+>>>'; flush(6)
integer :: Ninstance,NofMyHomog,h
maxNinstance = count(damage_type == DAMAGE_local_ID)
if (maxNinstance == 0) return
allocate(param(maxNinstance))
do h = 1, size(damage_type)
write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_local_label//' init -+>>>'; flush(6)
Ninstance = count(damage_type == DAMAGE_local_ID)
allocate(param(Ninstance))
do h = 1, size(config_homogenization)
if (damage_type(h) /= DAMAGE_LOCAL_ID) cycle
associate(prm => param(damage_typeInstance(h)),config => config_homogenization(h))
outputs = config%getStrings('(output)',defaultVal=emptyStringArray)
allocate(prm%outputID(0))
do o=1, size(outputs)
select case(outputs(o))
case ('damage')
prm%outputID = [prm%outputID , damage_ID]
end select
enddo
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
NofMyHomog = count(material_homogenizationAt == h)
damageState(h)%sizeState = 1
allocate(damageState(h)%state0 (1,NofMyHomog), source=damage_initialPhi(h))
allocate(damageState(h)%subState0(1,NofMyHomog), source=damage_initialPhi(h))
allocate(damageState(h)%state (1,NofMyHomog), source=damage_initialPhi(h))
nullify(damageMapping(h)%p)
damageMapping(h)%p => material_homogenizationMemberAt
deallocate(damage(h)%p)
damage(h)%p => damageState(h)%state(1,:)
end associate
enddo
@ -85,10 +68,10 @@ end subroutine damage_local_init
!--------------------------------------------------------------------------------------------------
!> @brief calculates local change in damage field
!> @brief calculates local change in damage field
!--------------------------------------------------------------------------------------------------
function damage_local_updateState(subdt, ip, el)
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
@ -100,30 +83,30 @@ function damage_local_updateState(subdt, ip, el)
homog, &
offset
real(pReal) :: &
phi, phiDot, dPhiDot_dPhi
phi, phiDot, dPhiDot_dPhi
homog = material_homogenizationAt(el)
offset = material_homogenizationMemberAt(ip,el)
phi = damageState(homog)%subState0(1,offset)
call damage_local_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip, el)
phi = max(residualStiffness,min(1.0_pReal,phi + subdt*phiDot))
damage_local_updateState = [ abs(phi - damageState(homog)%state(1,offset)) &
<= err_damage_tolAbs &
.or. abs(phi - damageState(homog)%state(1,offset)) &
<= err_damage_tolRel*abs(damageState(homog)%state(1,offset)), &
.true.]
damageState(homog)%state(1,offset) = phi
damageState(homog)%state(1,offset) = phi
end function damage_local_updateState
!--------------------------------------------------------------------------------------------------
!> @brief calculates homogenized local damage driving forces
!> @brief calculates homogenized local damage driving forces
!--------------------------------------------------------------------------------------------------
subroutine damage_local_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip, el)
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
@ -135,7 +118,7 @@ subroutine damage_local_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip, el
source, &
constituent
real(pReal) :: &
phiDot, dPhiDot_dPhi, localphiDot, dLocalphiDot_dPhi
phiDot, dPhiDot_dPhi, localphiDot, dLocalphiDot_dPhi
phiDot = 0.0_pReal
dPhiDot_dPhi = 0.0_pReal
@ -143,7 +126,7 @@ subroutine damage_local_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip, el
phase = material_phaseAt(grain,el)
constituent = material_phasememberAt(grain,ip,el)
do source = 1, phase_Nsources(phase)
select case(phase_source(source,phase))
select case(phase_source(source,phase))
case (SOURCE_damage_isoBrittle_ID)
call source_damage_isobrittle_getRateAndItsTangent (localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
@ -163,12 +146,12 @@ subroutine damage_local_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip, el
end select
phiDot = phiDot + localphiDot
dPhiDot_dPhi = dPhiDot_dPhi + dLocalphiDot_dPhi
enddo
enddo
enddo
phiDot = phiDot/real(homogenization_Ngrains(material_homogenizationAt(el)),pReal)
dPhiDot_dPhi = dPhiDot_dPhi/real(homogenization_Ngrains(material_homogenizationAt(el)),pReal)
end subroutine damage_local_getSourceAndItsTangent
@ -179,14 +162,13 @@ subroutine damage_local_results(homog,group)
integer, intent(in) :: homog
character(len=*), intent(in) :: group
integer :: o
associate(prm => param(damage_typeInstance(homog)))
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
case (damage_ID)
integer :: o
associate(prm => param(damage_typeInstance(homog)))
outputsLoop: do o = 1,size(prm%output)
select case(prm%output(o))
case ('damage')
call results_writeDataset(group,damage(homog)%p,'phi',&
'damage indicator','-')
end select

6
src/damage_none.f90
View File

@ -8,7 +8,7 @@ module damage_none
implicit none
public
contains
!--------------------------------------------------------------------------------------------------
@ -28,10 +28,10 @@ subroutine damage_none_init
allocate(damageState(h)%state0 (0,NofMyHomog))
allocate(damageState(h)%subState0(0,NofMyHomog))
allocate(damageState(h)%state (0,NofMyHomog))
deallocate(damage(h)%p)
allocate (damage(h)%p(1), source=damage_initialPhi(h))
enddo
end subroutine damage_none_init

104
src/damage_nonlocal.f90
View File

@ -18,27 +18,21 @@ module damage_nonlocal
implicit none
private
enum, bind(c)
enumerator :: &
undefined_ID, &
damage_ID
end enum
type :: tParameters
integer(kind(undefined_ID)), dimension(:), allocatable :: &
outputID
character(len=pStringLen), allocatable, dimension(:) :: &
output
end type tParameters
type(tparameters), dimension(:), allocatable :: &
param
public :: &
damage_nonlocal_init, &
damage_nonlocal_getSourceAndItsTangent, &
damage_nonlocal_getDiffusion33, &
damage_nonlocal_getDiffusion, &
damage_nonlocal_getMobility, &
damage_nonlocal_putNonLocalDamage, &
damage_nonlocal_Results
damage_nonlocal_results
contains
@ -48,29 +42,18 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine damage_nonlocal_init
integer :: maxNinstance,o,NofMyHomog,h
character(len=pStringLen), dimension(:), allocatable :: outputs
integer :: Ninstance,NofMyHomog,h
write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_nonlocal_label//' init -+>>>'; flush(6)
maxNinstance = count(damage_type == DAMAGE_nonlocal_ID)
if (maxNinstance == 0) return
write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_nonlocal_label//' init -+>>>'; flush(6)
allocate(param(maxNinstance))
do h = 1, size(damage_type)
Ninstance = count(damage_type == DAMAGE_nonlocal_ID)
allocate(param(Ninstance))
do h = 1, size(config_homogenization)
if (damage_type(h) /= DAMAGE_NONLOCAL_ID) cycle
associate(prm => param(damage_typeInstance(h)),config => config_homogenization(h))
outputs = config%getStrings('(output)',defaultVal=emptyStringArray)
allocate(prm%outputID(0))
do o=1, size(outputs)
select case(outputs(o))
case ('damage')
prm%outputID = [prm%outputID, damage_ID]
end select
enddo
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
NofMyHomog = count(material_homogenizationAt == h)
damageState(h)%sizeState = 1
@ -82,7 +65,7 @@ subroutine damage_nonlocal_init
damageMapping(h)%p => material_homogenizationMemberAt
deallocate(damage(h)%p)
damage(h)%p => damageState(h)%state(1,:)
end associate
enddo
@ -90,10 +73,10 @@ end subroutine damage_nonlocal_init
!--------------------------------------------------------------------------------------------------
!> @brief calculates homogenized damage driving forces
!> @brief calculates homogenized damage driving forces
!--------------------------------------------------------------------------------------------------
subroutine damage_nonlocal_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip, el)
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
@ -105,7 +88,7 @@ subroutine damage_nonlocal_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip,
source, &
constituent
real(pReal) :: &
phiDot, dPhiDot_dPhi, localphiDot, dLocalphiDot_dPhi
phiDot, dPhiDot_dPhi, localphiDot, dLocalphiDot_dPhi
phiDot = 0.0_pReal
dPhiDot_dPhi = 0.0_pReal
@ -113,7 +96,7 @@ subroutine damage_nonlocal_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip,
phase = material_phaseAt(grain,el)
constituent = material_phasememberAt(grain,ip,el)
do source = 1, phase_Nsources(phase)
select case(phase_source(source,phase))
select case(phase_source(source,phase))
case (SOURCE_damage_isoBrittle_ID)
call source_damage_isobrittle_getRateAndItsTangent (localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
@ -133,44 +116,44 @@ subroutine damage_nonlocal_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip,
end select
phiDot = phiDot + localphiDot
dPhiDot_dPhi = dPhiDot_dPhi + dLocalphiDot_dPhi
enddo
enddo
enddo
phiDot = phiDot/real(homogenization_Ngrains(material_homogenizationAt(el)),pReal)
dPhiDot_dPhi = dPhiDot_dPhi/real(homogenization_Ngrains(material_homogenizationAt(el)),pReal)
end subroutine damage_nonlocal_getSourceAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief returns homogenized non local damage diffusion tensor in reference configuration
!--------------------------------------------------------------------------------------------------
function damage_nonlocal_getDiffusion33(ip,el)
function damage_nonlocal_getDiffusion(ip,el)
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
real(pReal), dimension(3,3) :: &
damage_nonlocal_getDiffusion33
damage_nonlocal_getDiffusion
integer :: &
homog, &
grain
homog = material_homogenizationAt(el)
damage_nonlocal_getDiffusion33 = 0.0_pReal
damage_nonlocal_getDiffusion = 0.0_pReal
do grain = 1, homogenization_Ngrains(homog)
damage_nonlocal_getDiffusion33 = damage_nonlocal_getDiffusion33 + &
crystallite_push33ToRef(grain,ip,el,lattice_DamageDiffusion33(1:3,1:3,material_phaseAt(grain,el)))
damage_nonlocal_getDiffusion = damage_nonlocal_getDiffusion + &
crystallite_push33ToRef(grain,ip,el,lattice_DamageDiffusion(1:3,1:3,material_phaseAt(grain,el)))
enddo
damage_nonlocal_getDiffusion33 = &
charLength**2*damage_nonlocal_getDiffusion33/real(homogenization_Ngrains(homog),pReal)
end function damage_nonlocal_getDiffusion33
damage_nonlocal_getDiffusion = &
charLength**2*damage_nonlocal_getDiffusion/real(homogenization_Ngrains(homog),pReal)
end function damage_nonlocal_getDiffusion
!--------------------------------------------------------------------------------------------------
!> @brief Returns homogenized nonlocal damage mobility
!> @brief Returns homogenized nonlocal damage mobility
!--------------------------------------------------------------------------------------------------
real(pReal) function damage_nonlocal_getMobility(ip,el)
@ -179,9 +162,9 @@ real(pReal) function damage_nonlocal_getMobility(ip,el)
el !< element number
integer :: &
ipc
damage_nonlocal_getMobility = 0.0_pReal
do ipc = 1, homogenization_Ngrains(material_homogenizationAt(el))
damage_nonlocal_getMobility = damage_nonlocal_getMobility + lattice_DamageMobility(material_phaseAt(ipc,el))
enddo
@ -205,7 +188,7 @@ subroutine damage_nonlocal_putNonLocalDamage(phi,ip,el)
integer :: &
homog, &
offset
homog = material_homogenizationAt(el)
offset = damageMapping(homog)%p(ip,el)
damage(homog)%p(offset) = phi
@ -220,14 +203,13 @@ subroutine damage_nonlocal_results(homog,group)
integer, intent(in) :: homog
character(len=*), intent(in) :: group
integer :: o
associate(prm => param(damage_typeInstance(homog)))
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
case (damage_ID)
integer :: o
associate(prm => param(damage_typeInstance(homog)))
outputsLoop: do o = 1,size(prm%output)
select case(prm%output(o))
case ('damage')
call results_writeDataset(group,damage(homog)%p,'phi',&
'damage indicator','-')
end select

6
src/grid/grid_damage_spectral.f90
View File

@ -249,8 +249,8 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
cell = 0
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
cell = cell + 1
vectorField_real(1:3,i,j,k) = matmul(damage_nonlocal_getDiffusion33(1,cell) - K_ref, &
vectorField_real(1:3,i,j,k))
vectorField_real(1:3,i,j,k) = matmul(damage_nonlocal_getDiffusion(1,cell) - K_ref, &
vectorField_real(1:3,i,j,k))
enddo; enddo; enddo
call utilities_FFTvectorForward
call utilities_fourierVectorDivergence !< calculate damage divergence in fourier field
@ -294,7 +294,7 @@ subroutine updateReference
mu_ref = 0.0_pReal
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
cell = cell + 1
K_ref = K_ref + damage_nonlocal_getDiffusion33(1,cell)
K_ref = K_ref + damage_nonlocal_getDiffusion(1,cell)
mu_ref = mu_ref + damage_nonlocal_getMobility(1,cell)
enddo; enddo; enddo
K_ref = K_ref*wgt

9
src/grid/grid_thermal_spectral.f90
View File

@ -252,8 +252,8 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
cell = 0
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
cell = cell + 1
vectorField_real(1:3,i,j,k) = matmul(thermal_conduction_getConductivity33(1,cell) - K_ref, &
vectorField_real(1:3,i,j,k))
vectorField_real(1:3,i,j,k) = matmul(thermal_conduction_getConductivity(1,cell) - K_ref, &
vectorField_real(1:3,i,j,k))
enddo; enddo; enddo
call utilities_FFTvectorForward
call utilities_fourierVectorDivergence !< calculate temperature divergence in fourier field
@ -294,9 +294,8 @@ subroutine updateReference
mu_ref = 0.0_pReal
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
cell = cell + 1
K_ref = K_ref + thermal_conduction_getConductivity33(1,cell)
mu_ref = mu_ref + thermal_conduction_getMassDensity(1,cell)* &
thermal_conduction_getSpecificHeat(1,cell)
K_ref = K_ref + thermal_conduction_getConductivity(1,cell)
mu_ref = mu_ref + thermal_conduction_getMassDensity(1,cell)* thermal_conduction_getSpecificHeat(1,cell)
enddo; enddo; enddo
K_ref = K_ref*wgt
call MPI_Allreduce(MPI_IN_PLACE,K_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)

196
src/kinematics_cleavage_opening.f90
View File

@ -27,25 +27,12 @@ module kinematics_cleavage_opening
sdot0, &
n
real(pReal), dimension(:), allocatable :: &
critDisp, &
critLoad
end type
real(pReal), dimension(:,:,:,:), allocatable :: &
cleavage_systems
end type tParameters
! Begin Deprecated
integer, dimension(:), allocatable :: &
kinematics_cleavage_opening_totalNcleavage !< total number of cleavage systems
integer, dimension(:,:), allocatable :: &
kinematics_cleavage_opening_Ncleavage !< number of cleavage systems per family
real(pReal), dimension(:), allocatable :: &
kinematics_cleavage_opening_sdot_0, &
kinematics_cleavage_opening_N
real(pReal), dimension(:,:), allocatable :: &
kinematics_cleavage_opening_critDisp, &
kinematics_cleavage_opening_critLoad
! End Deprecated
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstance)
public :: &
kinematics_cleavage_opening_init, &
@ -60,66 +47,59 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine kinematics_cleavage_opening_init
integer, allocatable, dimension(:) :: tempInt
real(pReal), allocatable, dimension(:) :: tempFloat
integer :: maxNinstance,p,instance
integer :: Ninstance,p
character(len=pStringLen) :: extmsg = ''
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_cleavage_opening_LABEL//' init -+>>>'; flush(6)
maxNinstance = count(phase_kinematics == KINEMATICS_cleavage_opening_ID)
if (maxNinstance == 0) return
Ninstance = count(phase_kinematics == KINEMATICS_cleavage_opening_ID)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
allocate(kinematics_cleavage_opening_instance(size(config_phase)), source=0)
do p = 1, size(config_phase)
kinematics_cleavage_opening_instance(p) = count(phase_kinematics(:,1:p) == kinematics_cleavage_opening_ID) ! ToDo: count correct?
enddo
allocate(kinematics_cleavage_opening_critDisp(lattice_maxNcleavageFamily,maxNinstance), source=0.0_pReal)
allocate(kinematics_cleavage_opening_critLoad(lattice_maxNcleavageFamily,maxNinstance), source=0.0_pReal)
allocate(kinematics_cleavage_opening_Ncleavage(lattice_maxNcleavageFamily,maxNinstance), source=0)
allocate(kinematics_cleavage_opening_totalNcleavage(maxNinstance), source=0)
allocate(kinematics_cleavage_opening_sdot_0(maxNinstance), source=0.0_pReal)
allocate(kinematics_cleavage_opening_N(maxNinstance), source=0.0_pReal)
allocate(param(Ninstance))
do p = 1, size(config_phase)
kinematics_cleavage_opening_instance(p) = count(phase_kinematics(:,1:p) == kinematics_cleavage_opening_ID)
if (all(phase_kinematics(:,p) /= KINEMATICS_cleavage_opening_ID)) cycle
instance = kinematics_cleavage_opening_instance(p)
kinematics_cleavage_opening_sdot_0(instance) = config_phase(p)%getFloat('anisobrittle_sdot0')
kinematics_cleavage_opening_N(instance) = config_phase(p)%getFloat('anisobrittle_ratesensitivity')
tempInt = config_phase(p)%getInts('ncleavage')
kinematics_cleavage_opening_Ncleavage(1:size(tempInt),instance) = tempInt
tempFloat = config_phase(p)%getFloats('anisobrittle_criticaldisplacement',requiredSize=size(tempInt))
kinematics_cleavage_opening_critDisp(1:size(tempInt),instance) = tempFloat
associate(prm => param(kinematics_cleavage_opening_instance(p)), &
config => config_phase(p))
tempFloat = config_phase(p)%getFloats('anisobrittle_criticalload',requiredSize=size(tempInt))
kinematics_cleavage_opening_critLoad(1:size(tempInt),instance) = tempFloat
prm%Ncleavage = config%getInts('ncleavage')
prm%totalNcleavage = sum(prm%Ncleavage)
prm%n = config%getFloat('anisobrittle_ratesensitivity')
prm%sdot0 = config%getFloat('anisobrittle_sdot0')
prm%critLoad = config%getFloats('anisobrittle_criticalload',requiredSize=size(prm%Ncleavage))
prm%cleavage_systems = lattice_SchmidMatrix_cleavage(prm%Ncleavage,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
! expand: family => system
prm%critLoad = math_expand(prm%critLoad, prm%Ncleavage)
! sanity checks
if (prm%n <= 0.0_pReal) extmsg = trim(extmsg)//' anisobrittle_n'
if (prm%sdot0 <= 0.0_pReal) extmsg = trim(extmsg)//' anisobrittle_sdot0'
if (any(prm%critLoad < 0.0_pReal)) extmsg = trim(extmsg)//' anisobrittle_critLoad'
kinematics_cleavage_opening_Ncleavage(1:lattice_maxNcleavageFamily,instance) = &
min(lattice_NcleavageSystem(1:lattice_maxNcleavageFamily,p),& ! limit active cleavage systems per family to min of available and requested
kinematics_cleavage_opening_Ncleavage(1:lattice_maxNcleavageFamily,instance))
kinematics_cleavage_opening_totalNcleavage(instance) = sum(kinematics_cleavage_opening_Ncleavage(:,instance)) ! how many cleavage systems altogether
if (kinematics_cleavage_opening_sdot_0(instance) <= 0.0_pReal) &
call IO_error(211,el=instance,ext_msg='sdot_0 ('//KINEMATICS_cleavage_opening_LABEL//')')
if (any(kinematics_cleavage_opening_critDisp(1:size(tempInt),instance) < 0.0_pReal)) &
call IO_error(211,el=instance,ext_msg='critical_displacement ('//KINEMATICS_cleavage_opening_LABEL//')')
if (any(kinematics_cleavage_opening_critLoad(1:size(tempInt),instance) < 0.0_pReal)) &
call IO_error(211,el=instance,ext_msg='critical_load ('//KINEMATICS_cleavage_opening_LABEL//')')
if (kinematics_cleavage_opening_N(instance) <= 0.0_pReal) &
call IO_error(211,el=instance,ext_msg='rate_sensitivity ('//KINEMATICS_cleavage_opening_LABEL//')')
enddo
end subroutine kinematics_cleavage_opening_init
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'('//SOURCE_DAMAGE_ANISOBRITTLE_LABEL//')')
end associate
enddo
end subroutine kinematics_cleavage_opening_init
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
!--------------------------------------------------------------------------------------------------
subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc, ip, el)
integer, intent(in) :: &
ipc, & !< grain number
ip, & !< integration point number
@ -130,73 +110,55 @@ subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc, i
Ld !< damage velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
integer :: &
instance, phase, &
homog, damageOffset, &
f, i, index_myFamily, k, l, m, n
i, k, l, m, n
real(pReal) :: &
traction_d, traction_t, traction_n, traction_crit, &
udotd, dudotd_dt, udott, dudott_dt, udotn, dudotn_dt
phase = material_phaseAt(ipc,el)
instance = kinematics_cleavage_opening_instance(phase)
homog = material_homogenizationAt(el)
damageOffset = damageMapping(homog)%p(ip,el)
Ld = 0.0_pReal
dLd_dTstar = 0.0_pReal
do f = 1,lattice_maxNcleavageFamily
index_myFamily = sum(lattice_NcleavageSystem(1:f-1,phase)) ! at which index starts my family
do i = 1,kinematics_cleavage_opening_Ncleavage(f,instance) ! process each (active) cleavage system in family
traction_d = math_mul33xx33(S,lattice_Scleavage(1:3,1:3,1,index_myFamily+i,phase))
traction_t = math_mul33xx33(S,lattice_Scleavage(1:3,1:3,2,index_myFamily+i,phase))
traction_n = math_mul33xx33(S,lattice_Scleavage(1:3,1:3,3,index_myFamily+i,phase))
traction_crit = kinematics_cleavage_opening_critLoad(f,instance)* &
damage(homog)%p(damageOffset)*damage(homog)%p(damageOffset)
udotd = &
sign(1.0_pReal,traction_d)* &
kinematics_cleavage_opening_sdot_0(instance)* &
(max(0.0_pReal, abs(traction_d) - traction_crit)/traction_crit)**kinematics_cleavage_opening_N(instance)
if (abs(udotd) > tol_math_check) then
Ld = Ld + udotd*lattice_Scleavage(1:3,1:3,1,index_myFamily+i,phase)
dudotd_dt = sign(1.0_pReal,traction_d)*udotd*kinematics_cleavage_opening_N(instance)/ &
max(0.0_pReal, abs(traction_d) - traction_crit)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) + &
dudotd_dt*lattice_Scleavage(k,l,1,index_myFamily+i,phase)* &
lattice_Scleavage(m,n,1,index_myFamily+i,phase)
endif
associate(prm => param(kinematics_cleavage_opening_instance(material_phaseAt(ipc,el))))
do i = 1,prm%totalNcleavage
traction_crit = prm%critLoad(i)* damage(homog)%p(damageOffset)**2.0_pReal
udott = &
sign(1.0_pReal,traction_t)* &
kinematics_cleavage_opening_sdot_0(instance)* &
(max(0.0_pReal, abs(traction_t) - traction_crit)/traction_crit)**kinematics_cleavage_opening_N(instance)
if (abs(udott) > tol_math_check) then
Ld = Ld + udott*lattice_Scleavage(1:3,1:3,2,index_myFamily+i,phase)
dudott_dt = sign(1.0_pReal,traction_t)*udott*kinematics_cleavage_opening_N(instance)/ &
max(0.0_pReal, abs(traction_t) - traction_crit)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) + &
dudott_dt*lattice_Scleavage(k,l,2,index_myFamily+i,phase)* &
lattice_Scleavage(m,n,2,index_myFamily+i,phase)
endif
traction_d = math_mul33xx33(S,prm%cleavage_systems(1:3,1:3,1,i))
if (abs(traction_d) > traction_crit + tol_math_check) then
udotd = sign(1.0_pReal,traction_d)* prm%sdot0 * ((abs(traction_d) - traction_crit)/traction_crit)**prm%n
Ld = Ld + udotd*prm%cleavage_systems(1:3,1:3,1,i)
dudotd_dt = sign(1.0_pReal,traction_d)*udotd*prm%n / (abs(traction_d) - traction_crit)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
+ dudotd_dt*prm%cleavage_systems(k,l,1,i) * prm%cleavage_systems(m,n,1,i)
endif
udotn = &
sign(1.0_pReal,traction_n)* &
kinematics_cleavage_opening_sdot_0(instance)* &
(max(0.0_pReal, abs(traction_n) - traction_crit)/traction_crit)**kinematics_cleavage_opening_N(instance)
if (abs(udotn) > tol_math_check) then
Ld = Ld + udotn*lattice_Scleavage(1:3,1:3,3,index_myFamily+i,phase)
dudotn_dt = sign(1.0_pReal,traction_n)*udotn*kinematics_cleavage_opening_N(instance)/ &
max(0.0_pReal, abs(traction_n) - traction_crit)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) + &
dudotn_dt*lattice_Scleavage(k,l,3,index_myFamily+i,phase)* &
lattice_Scleavage(m,n,3,index_myFamily+i,phase)
endif
enddo
traction_t = math_mul33xx33(S,prm%cleavage_systems(1:3,1:3,2,i))
if (abs(traction_t) > traction_crit + tol_math_check) then
udott = sign(1.0_pReal,traction_t)* prm%sdot0 * ((abs(traction_t) - traction_crit)/traction_crit)**prm%n
Ld = Ld + udott*prm%cleavage_systems(1:3,1:3,2,i)
dudott_dt = sign(1.0_pReal,traction_t)*udott*prm%n / (abs(traction_t) - traction_crit)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
+ dudott_dt*prm%cleavage_systems(k,l,2,i) * prm%cleavage_systems(m,n,2,i)
endif
traction_n = math_mul33xx33(S,prm%cleavage_systems(1:3,1:3,3,i))
if (abs(traction_n) > traction_crit + tol_math_check) then
udotn = sign(1.0_pReal,traction_n)* prm%sdot0 * ((abs(traction_n) - traction_crit)/traction_crit)**prm%n
Ld = Ld + udotn*prm%cleavage_systems(1:3,1:3,3,i)
dudotn_dt = sign(1.0_pReal,traction_n)*udotn*prm%n / (abs(traction_n) - traction_crit)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
+ dudotn_dt*prm%cleavage_systems(k,l,3,i) * prm%cleavage_systems(m,n,3,i)
endif
enddo
end associate
end subroutine kinematics_cleavage_opening_LiAndItsTangent
end module kinematics_cleavage_opening

155
src/kinematics_slipplane_opening.f90
View File

@ -12,12 +12,12 @@ module kinematics_slipplane_opening
use math
use lattice
use material
implicit none
private
integer, dimension(:), allocatable :: kinematics_slipplane_opening_instance
type :: tParameters !< container type for internal constitutive parameters
integer :: &
totalNslip
@ -28,14 +28,14 @@ module kinematics_slipplane_opening
n
real(pReal), dimension(:), allocatable :: &
critLoad
real(pReal), dimension(:,:), allocatable :: &
slip_direction, &
slip_normal, &
slip_transverse
real(pReal), dimension(:,:,:), allocatable :: &
P_d, &
P_t, &
P_n
end type tParameters
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstance)
public :: &
kinematics_slipplane_opening_init, &
kinematics_slipplane_opening_LiAndItsTangent
@ -49,58 +49,66 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine kinematics_slipplane_opening_init
integer :: maxNinstance,p,instance
integer :: Ninstance,p,i
character(len=pStringLen) :: extmsg = ''
real(pReal), dimension(:,:), allocatable :: d,n,t
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_slipplane_opening_LABEL//' init -+>>>'; flush(6)
maxNinstance = count(phase_kinematics == KINEMATICS_slipplane_opening_ID)
if (maxNinstance == 0) return
Ninstance = count(phase_kinematics == KINEMATICS_slipplane_opening_ID)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
allocate(kinematics_slipplane_opening_instance(size(config_phase)), source=0)
allocate(param(Ninstance))
do p = 1, size(config_phase)
kinematics_slipplane_opening_instance(p) = count(phase_kinematics(:,1:p) == kinematics_slipplane_opening_ID) ! ToDo: count correct?
enddo
allocate(param(maxNinstance))
do p = 1, size(config_phase)
kinematics_slipplane_opening_instance(p) = count(phase_kinematics(:,1:p) == kinematics_slipplane_opening_ID)
if (all(phase_kinematics(:,p) /= KINEMATICS_slipplane_opening_ID)) cycle
associate(prm => param(kinematics_slipplane_opening_instance(p)), &
config => config_phase(p))
instance = kinematics_slipplane_opening_instance(p)
prm%sdot0 = config_phase(p)%getFloat('anisoductile_sdot0')
prm%n = config_phase(p)%getFloat('anisoductile_ratesensitivity')
prm%Nslip = config%getInts('nslip')
prm%critLoad = config_phase(p)%getFloats('anisoductile_criticalload',requiredSize=size(prm%Nslip ))
prm%sdot0 = config%getFloat('anisoductile_sdot0')
prm%n = config%getFloat('anisoductile_ratesensitivity')
prm%Nslip = config%getInts('nslip')
prm%totalNslip = sum(prm%Nslip)
d = lattice_slip_direction (prm%Nslip,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
t = lattice_slip_transverse(prm%Nslip,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
n = lattice_slip_normal (prm%Nslip,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
allocate(prm%P_d(3,3,size(d,2)),prm%P_t(3,3,size(t,2)),prm%P_n(3,3,size(n,2)))
do i=1, size(n,2)
prm%P_d(1:3,1:3,i) = math_outer(d(1:3,i), n(1:3,i))
prm%P_t(1:3,1:3,i) = math_outer(t(1:3,i), n(1:3,i))
prm%P_n(1:3,1:3,i) = math_outer(n(1:3,i), n(1:3,i))
enddo
prm%critLoad = config%getFloats('anisoductile_criticalload',requiredSize=size(prm%Nslip))
! expand: family => system
prm%critLoad = math_expand(prm%critLoad, prm%Nslip)
prm%slip_direction = lattice_slip_direction (prm%Nslip,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%slip_normal = lattice_slip_normal (prm%Nslip,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
prm%slip_transverse = lattice_slip_transverse(prm%Nslip,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
! if (kinematics_slipplane_opening_sdot_0(instance) <= 0.0_pReal) &
! call IO_error(211,el=instance,ext_msg='sdot_0 ('//KINEMATICS_slipplane_opening_LABEL//')')
! if (any(kinematics_slipplane_opening_critPlasticStrain(:,instance) < 0.0_pReal)) &
! call IO_error(211,el=instance,ext_msg='criticaPlasticStrain ('//KINEMATICS_slipplane_opening_LABEL//')')
! if (kinematics_slipplane_opening_N(instance) <= 0.0_pReal) &
! call IO_error(211,el=instance,ext_msg='rate_sensitivity ('//KINEMATICS_slipplane_opening_LABEL//')')
end associate
enddo
end subroutine kinematics_slipplane_opening_init
! sanity checks
if (prm%n <= 0.0_pReal) extmsg = trim(extmsg)//' anisoDuctile_n'
if (prm%sdot0 <= 0.0_pReal) extmsg = trim(extmsg)//' anisoDuctile_sdot0'
if (any(prm%critLoad < 0.0_pReal)) extmsg = trim(extmsg)//' anisoDuctile_critLoad'
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'('//SOURCE_DAMAGE_ANISODUCTILE_LABEL//')')
end associate
enddo
end subroutine kinematics_slipplane_opening_init
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
!--------------------------------------------------------------------------------------------------
subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc, ip, el)
@ -114,8 +122,7 @@ subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc,
Ld !< damage velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
real(pReal), dimension(3,3) :: &
projection_d, projection_t, projection_n !< projection modes 3x3 tensor
integer :: &
instance, phase, &
homog, damageOffset, &
@ -123,26 +130,22 @@ subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc,
real(pReal) :: &
traction_d, traction_t, traction_n, traction_crit, &
udotd, dudotd_dt, udott, dudott_dt, udotn, dudotn_dt
phase = material_phaseAt(ipc,el)
instance = kinematics_slipplane_opening_instance(phase)
homog = material_homogenizationAt(el)
damageOffset = damageMapping(homog)%p(ip,el)
associate(prm => param(instance))
Ld = 0.0_pReal
dLd_dTstar = 0.0_pReal
do i = 1, prm%totalNslip
projection_d = math_outer(prm%slip_direction(1:3,i), prm%slip_normal(1:3,i))
projection_t = math_outer(prm%slip_transverse(1:3,i),prm%slip_normal(1:3,i))
projection_n = math_outer(prm%slip_normal(1:3,i), prm%slip_normal(1:3,i))
traction_d = math_mul33xx33(S,projection_d)
traction_t = math_mul33xx33(S,projection_t)
traction_n = math_mul33xx33(S,projection_n)
traction_crit = prm%critLoad(i)* damage(homog)%p(damageOffset) ! degrading critical load carrying capacity by damage
traction_d = math_tensordot(S,prm%P_d(1:3,1:3,i))
traction_t = math_tensordot(S,prm%P_t(1:3,1:3,i))
traction_n = math_tensordot(S,prm%P_n(1:3,1:3,i))
traction_crit = prm%critLoad(i)* damage(homog)%p(damageOffset) ! degrading critical load carrying capacity by damage
udotd = sign(1.0_pReal,traction_d)* prm%sdot0* ( abs(traction_d)/traction_crit &
- abs(traction_d)/prm%critLoad(i))**prm%n
@ -151,20 +154,34 @@ subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc,
udotn = prm%sdot0* ( max(0.0_pReal,traction_n)/traction_crit &
- max(0.0_pReal,traction_n)/prm%critLoad(i))**prm%n
dudotd_dt = udotd*prm%n/traction_d
dudott_dt = udott*prm%n/traction_t
dudotn_dt = udotn*prm%n/traction_n
if (dNeq0(traction_d)) then
dudotd_dt = udotd*prm%n/traction_d
else
dudotd_dt = 0.0_pReal
endif
if (dNeq0(traction_t)) then
dudott_dt = udott*prm%n/traction_t
else
dudott_dt = 0.0_pReal
endif
if (dNeq0(traction_n)) then
dudotn_dt = udotn*prm%n/traction_n
else
dudotn_dt = 0.0_pReal
endif
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) + dudotd_dt*projection_d(k,l)*projection_d(m,n) &
+ dudott_dt*projection_t(k,l)*projection_t(m,n) &
+ dudotn_dt*projection_n(k,l)*projection_n(m,n)
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
+ dudotd_dt*prm%P_d(k,l,i)*prm%P_d(m,n,i) &
+ dudott_dt*prm%P_t(k,l,i)*prm%P_t(m,n,i) &
+ dudotn_dt*prm%P_n(k,l,i)*prm%P_n(m,n,i)
Ld = Ld + udotd*projection_d &
+ udott*projection_t &
+ udotn*projection_n
Ld = Ld &
+ udotd*prm%P_d(1:3,1:3,i) &
+ udott*prm%P_t(1:3,1:3,i) &
+ udotn*prm%P_n(1:3,1:3,i)
enddo
end associate
end subroutine kinematics_slipplane_opening_LiAndItsTangent

127
src/kinematics_thermal_expansion.f90
View File

@ -11,17 +11,21 @@ module kinematics_thermal_expansion
use math
use lattice
use material
implicit none
private
integer, dimension(:), allocatable :: kinematics_thermal_expansion_instance
type :: tParameters
real(pReal), allocatable, dimension(:,:,:) :: &
expansion
real(pReal) :: &
T_ref
real(pReal), dimension(3,3,3) :: &
expansion = 0.0_pReal
end type tParameters
type(tParameters), dimension(:), allocatable :: param
public :: &
kinematics_thermal_expansion_init, &
kinematics_thermal_expansion_initialStrain, &
@ -35,36 +39,40 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
subroutine kinematics_thermal_expansion_init
integer :: &
Ninstance, &
p, i
real(pReal), dimension(:), allocatable :: &
temp
integer :: Ninstance,p,i
real(pReal), dimension(:), allocatable :: temp
write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_thermal_expansion_LABEL//' init -+>>>'; flush(6)
Ninstance = count(phase_kinematics == KINEMATICS_thermal_expansion_ID)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
allocate(kinematics_thermal_expansion_instance(size(config_phase)), source=0)
allocate(param(Ninstance))
do p = 1, size(phase_kinematics)
do p = 1, size(config_phase)
kinematics_thermal_expansion_instance(p) = count(phase_kinematics(:,1:p) == KINEMATICS_thermal_expansion_ID)
if (all(phase_kinematics(:,p) /= KINEMATICS_thermal_expansion_ID)) cycle
! ToDo: Here we need to decide how to extend the concept of instances to
! kinetics and sources. I would suggest that the same mechanism exists at maximum once per phase
associate(prm => param(kinematics_thermal_expansion_instance(p)), &
config => config_phase(p))
prm%T_ref = config%getFloat('reference_temperature', defaultVal=0.0_pReal)
! read up to three parameters (constant, linear, quadratic with T)
temp = config_phase(p)%getFloats('thermal_expansion11')
!lattice_thermalExpansion33(1,1,1:size(temp),p) = temp
temp = config_phase(p)%getFloats('thermal_expansion22', &
defaultVal=[(0.0_pReal, i=1,size(temp))],requiredSize=size(temp))
!lattice_thermalExpansion33(2,2,1:size(temp),p) = temp
temp = config_phase(p)%getFloats('thermal_expansion33', &
defaultVal=[(0.0_pReal, i=1,size(temp))],requiredSize=size(temp))
temp = config%getFloats('thermal_expansion11')
prm%expansion(1,1,1:size(temp)) = temp
temp = config%getFloats('thermal_expansion22',defaultVal=[(0.0_pReal, i=1,size(temp))],requiredSize=size(temp))
prm%expansion(2,2,1:size(temp)) = temp
temp = config%getFloats('thermal_expansion33',defaultVal=[(0.0_pReal, i=1,size(temp))],requiredSize=size(temp))
prm%expansion(3,3,1:size(temp)) = temp
do i=1, size(prm%expansion,3)
prm%expansion(1:3,1:3,i) = lattice_applyLatticeSymmetry33(prm%expansion(1:3,1:3,i),config%getString('lattice_structure'))
enddo
end associate
enddo
end subroutine kinematics_thermal_expansion_init
@ -74,30 +82,30 @@ end subroutine kinematics_thermal_expansion_init
!> @brief report initial thermal strain based on current temperature deviation from reference
!--------------------------------------------------------------------------------------------------
pure function kinematics_thermal_expansion_initialStrain(homog,phase,offset)
integer, intent(in) :: &
phase, &
homog, offset
homog, &
offset
real(pReal), dimension(3,3) :: &
kinematics_thermal_expansion_initialStrain !< initial thermal strain (should be small strain, though)
kinematics_thermal_expansion_initialStrain !< initial thermal strain (should be small strain, though)
associate(prm => param(kinematics_thermal_expansion_instance(phase)))
kinematics_thermal_expansion_initialStrain = &
(temperature(homog)%p(offset) - lattice_referenceTemperature(phase))**1 / 1. * &
lattice_thermalExpansion33(1:3,1:3,1,phase) + & ! constant coefficient
(temperature(homog)%p(offset) - lattice_referenceTemperature(phase))**2 / 2. * &
lattice_thermalExpansion33(1:3,1:3,2,phase) + & ! linear coefficient
(temperature(homog)%p(offset) - lattice_referenceTemperature(phase))**3 / 3. * &
lattice_thermalExpansion33(1:3,1:3,3,phase) ! quadratic coefficient
(temperature(homog)%p(offset) - prm%T_ref)**1 / 1. * prm%expansion(1:3,1:3,1) + & ! constant coefficient
(temperature(homog)%p(offset) - prm%T_ref)**2 / 2. * prm%expansion(1:3,1:3,2) + & ! linear coefficient
(temperature(homog)%p(offset) - prm%T_ref)**3 / 3. * prm%expansion(1:3,1:3,3) ! quadratic coefficient
end associate
end function kinematics_thermal_expansion_initialStrain
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
!> @brief contains the constitutive equation for calculating the velocity gradient
!--------------------------------------------------------------------------------------------------
subroutine kinematics_thermal_expansion_LiAndItsTangent(Li, dLi_dTstar, ipc, ip, el)
integer, intent(in) :: &
ipc, & !< grain number
ip, & !< integration point number
@ -106,31 +114,32 @@ subroutine kinematics_thermal_expansion_LiAndItsTangent(Li, dLi_dTstar, ipc, ip,
Li !< thermal velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLi_dTstar !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero)
integer :: &
phase, &
homog, offset
homog
real(pReal) :: &
T, TRef, TDot
T, TDot
phase = material_phaseAt(ipc,el)
homog = material_homogenizationAt(el)
offset = thermalMapping(homog)%p(ip,el)
T = temperature(homog)%p(offset)
TDot = temperatureRate(homog)%p(offset)
TRef = lattice_referenceTemperature(phase)
T = temperature(homog)%p(thermalMapping(homog)%p(ip,el))
TDot = temperatureRate(homog)%p(thermalMapping(homog)%p(ip,el))
associate(prm => param(kinematics_thermal_expansion_instance(phase)))
Li = TDot * ( &
lattice_thermalExpansion33(1:3,1:3,1,phase)*(T - TRef)**0 & ! constant coefficient
+ lattice_thermalExpansion33(1:3,1:3,2,phase)*(T - TRef)**1 & ! linear coefficient
+ lattice_thermalExpansion33(1:3,1:3,3,phase)*(T - TRef)**2 & ! quadratic coefficient
prm%expansion(1:3,1:3,1)*(T - prm%T_ref)**0 & ! constant coefficient
+ prm%expansion(1:3,1:3,2)*(T - prm%T_ref)**1 & ! linear coefficient
+ prm%expansion(1:3,1:3,3)*(T - prm%T_ref)**2 & ! quadratic coefficient
) / &
(1.0_pReal &
+ lattice_thermalExpansion33(1:3,1:3,1,phase)*(T - TRef)**1 / 1. &
+ lattice_thermalExpansion33(1:3,1:3,2,phase)*(T - TRef)**2 / 2. &
+ lattice_thermalExpansion33(1:3,1:3,3,phase)*(T - TRef)**3 / 3. &
+ prm%expansion(1:3,1:3,1)*(T - prm%T_ref)**1 / 1. &
+ prm%expansion(1:3,1:3,2)*(T - prm%T_ref)**2 / 2. &
+ prm%expansion(1:3,1:3,3)*(T - prm%T_ref)**3 / 3. &
)
dLi_dTstar = 0.0_pReal
end associate
dLi_dTstar = 0.0_pReal
end subroutine kinematics_thermal_expansion_LiAndItsTangent
end module kinematics_thermal_expansion

1086
src/lattice.f90
View File

File diff suppressed because it is too large Load Diff

33
src/prec.f90
View File

@ -11,30 +11,31 @@ module prec
implicit none
public
! https://software.intel.com/en-us/blogs/2017/03/27/doctor-fortran-in-it-takes-all-kinds
integer, parameter, public :: pReal = IEEE_selected_real_kind(15,307) !< number with 15 significant digits, up to 1e+-307 (typically 64 bit)
integer, parameter :: pReal = IEEE_selected_real_kind(15,307) !< number with 15 significant digits, up to 1e+-307 (typically 64 bit)
#if(INT==8)
integer, parameter, public :: pInt = selected_int_kind(18) !< number with at least up to +-1e18 (typically 64 bit)
integer, parameter :: pInt = selected_int_kind(18) !< number with at least up to +-1e18 (typically 64 bit)
#else
integer, parameter, public :: pInt = selected_int_kind(9) !< number with at least up to +-1e9 (typically 32 bit)
integer, parameter :: pInt = selected_int_kind(9) !< number with at least up to +-1e9 (typically 32 bit)
#endif
integer, parameter, public :: pLongInt = selected_int_kind(18) !< number with at least up to +-1e18 (typically 64 bit)
integer, parameter, public :: pStringLen = 256 !< default string length
integer, parameter, public :: pPathLen = 4096 !< maximum length of a path name on linux
integer, parameter :: pLongInt = selected_int_kind(18) !< number with at least up to +-1e18 (typically 64 bit)
integer, parameter :: pStringLen = 256 !< default string length
integer, parameter :: pPathLen = 4096 !< maximum length of a path name on linux
real(pReal), parameter, public :: tol_math_check = 1.0e-8_pReal !< tolerance for internal math self-checks (rotation)
real(pReal), parameter :: tol_math_check = 1.0e-8_pReal !< tolerance for internal math self-checks (rotation)
type, public :: group_float !< variable length datatype used for storage of state
type :: group_float !< variable length datatype used for storage of state
real(pReal), dimension(:), pointer :: p
end type group_float
type, public :: group_int
type :: group_int
integer, dimension(:), pointer :: p
end type group_int
! http://stackoverflow.com/questions/3948210/can-i-have-a-pointer-to-an-item-in-an-allocatable-array
type, public :: tState
type :: tState
integer :: &
sizeState = 0, & !< size of state
sizeDotState = 0, & !< size of dot state, i.e. state(1:sizeDot) follows time evolution by dotState rates
@ -57,7 +58,7 @@ module prec
RKCK45dotState
end type
type, extends(tState), public :: tPlasticState
type, extends(tState) :: tPlasticState
logical :: &
nonlocal = .false.
real(pReal), pointer, dimension(:,:) :: &
@ -65,22 +66,22 @@ module prec
accumulatedSlip !< accumulated plastic slip
end type
type, public :: tSourceState
type :: tSourceState
type(tState), dimension(:), allocatable :: p !< tState for each active source mechanism in a phase
end type
type, public :: tHomogMapping
type :: tHomogMapping
integer, pointer, dimension(:,:) :: p
end type
real(pReal), private, parameter :: PREAL_EPSILON = epsilon(0.0_pReal) !< minimum positive number such that 1.0 + EPSILON /= 1.0.
real(pReal), private, parameter :: PREAL_MIN = tiny(0.0_pReal) !< smallest normalized floating point number
integer, dimension(0), parameter, public :: &
integer, dimension(0), parameter :: &
emptyIntArray = [integer::]
real(pReal), dimension(0), parameter, public :: &
real(pReal), dimension(0), parameter :: &
emptyRealArray = [real(pReal)::]
character(len=pStringLen), dimension(0), parameter, public :: &
character(len=pStringLen), dimension(0), parameter :: &
emptyStringArray = [character(len=pStringLen)::]
private :: &

13
src/quaternions.f90
View File

@ -10,7 +10,7 @@ module quaternions
use IO
implicit none
public
private
real(pReal), parameter, public :: P = -1.0_pReal !< parameter for orientation conversion.
@ -95,9 +95,13 @@ module quaternions
interface aimag
module procedure aimag__
end interface aimag
private :: &
unitTest
public :: &
quaternions_init, &
assignment(=), &
conjg, aimag, &
log, exp, &
real
contains
@ -511,6 +515,7 @@ subroutine unitTest
q_2 = conjg(q_2) - inverse(q_2)
if(any(dNeq0(q_2%asArray(),1.0e-15_pReal))) call IO_error(0,ext_msg='inverse/conjg')
endif
if(dNeq(dot_product(qu,qu),dot_product(q,q))) call IO_error(0,ext_msg='dot_product')
#if !(defined(__GFORTRAN__) && __GNUC__ < 9)
if (norm2(aimag(q)) > 0.0_pReal) then

210
src/source_damage_anisoBrittle.f90
View File

@ -9,8 +9,8 @@ module source_damage_anisoBrittle
use debug
use IO
use math
use material
use discretization
use material
use config
use lattice
use results
@ -21,17 +21,8 @@ module source_damage_anisoBrittle
integer, dimension(:), allocatable :: &
source_damage_anisoBrittle_offset, & !< which source is my current source mechanism?
source_damage_anisoBrittle_instance !< instance of source mechanism
integer, dimension(:,:), allocatable :: &
source_damage_anisoBrittle_Ncleavage !< number of cleavage systems per family
enum, bind(c)
enumerator :: undefined_ID, &
damage_drivingforce_ID
end enum
type :: tParameters !< container type for internal constitutive parameters
type :: tParameters !< container type for internal constitutive parameters
real(pReal) :: &
aTol, &
sdot_0, &
@ -45,8 +36,8 @@ module source_damage_anisoBrittle
totalNcleavage
integer, dimension(:), allocatable :: &
Ncleavage
integer(kind(undefined_ID)), allocatable, dimension(:) :: &
outputID !< ID of each post result output
character(len=pStringLen), allocatable, dimension(:) :: &
output
end type tParameters
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstance)
@ -67,101 +58,69 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine source_damage_anisoBrittle_init
integer :: Ninstance,phase,instance,source,sourceOffset
integer :: NofMyPhase,p ,i
integer(kind(undefined_ID)) :: &
outputID
integer :: Ninstance,sourceOffset,NofMyPhase,p
character(len=pStringLen) :: extmsg = ''
character(len=pStringLen) :: &
extmsg = ''
character(len=pStringLen), dimension(:), allocatable :: &
outputs
write(6,'(/,a)') ' <<<+- source_'//SOURCE_DAMAGE_ANISOBRITTLE_LABEL//' init -+>>>'; flush(6)
write(6,'(/,a)') ' <<<+- source_'//SOURCE_DAMAGE_ANISOBRITTLE_LABEL//' init -+>>>'; flush(6)
Ninstance = count(phase_source == SOURCE_damage_anisoBrittle_ID)
if (Ninstance == 0) return
Ninstance = count(phase_source == SOURCE_DAMAGE_ANISOBRITTLE_ID)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
allocate(source_damage_anisoBrittle_offset(material_Nphase), source=0)
allocate(source_damage_anisoBrittle_instance(material_Nphase), source=0)
do phase = 1, material_Nphase
source_damage_anisoBrittle_instance(phase) = count(phase_source(:,1:phase) == source_damage_anisoBrittle_ID)
do source = 1, phase_Nsources(phase)
if (phase_source(source,phase) == source_damage_anisoBrittle_ID) &
source_damage_anisoBrittle_offset(phase) = source
enddo
enddo
allocate(source_damage_anisoBrittle_Ncleavage(lattice_maxNcleavageFamily,Ninstance), source=0)
allocate(source_damage_anisoBrittle_offset (size(config_phase)), source=0)
allocate(source_damage_anisoBrittle_instance(size(config_phase)), source=0)
allocate(param(Ninstance))
do p=1, size(config_phase)
do p = 1, size(config_phase)
source_damage_anisoBrittle_instance(p) = count(phase_source(:,1:p) == SOURCE_DAMAGE_ANISOBRITTLE_ID)
do sourceOffset = 1, phase_Nsources(p)
if (phase_source(sourceOffset,p) == SOURCE_DAMAGE_ANISOBRITTLE_ID) then
source_damage_anisoBrittle_offset(p) = sourceOffset
exit
endif
enddo
if (all(phase_source(:,p) /= SOURCE_DAMAGE_ANISOBRITTLE_ID)) cycle
associate(prm => param(source_damage_anisoBrittle_instance(p)), &
config => config_phase(p))
prm%aTol = config%getFloat('anisobrittle_atol',defaultVal = 1.0e-3_pReal)
prm%Ncleavage = config%getInts('ncleavage',defaultVal=emptyIntArray)
prm%totalNcleavage = sum(prm%Ncleavage)
prm%aTol = config%getFloat('anisobrittle_atol',defaultVal = 1.0e-3_pReal)
prm%N = config%getFloat('anisobrittle_ratesensitivity')
prm%sdot_0 = config%getFloat('anisobrittle_sdot0')
prm%critDisp = config%getFloats('anisobrittle_criticaldisplacement',requiredSize=size(prm%Ncleavage))
prm%critLoad = config%getFloats('anisobrittle_criticalload', requiredSize=size(prm%Ncleavage))
prm%cleavage_systems = lattice_SchmidMatrix_cleavage(prm%Ncleavage,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
! expand: family => system
prm%critDisp = math_expand(prm%critDisp, prm%Ncleavage)
prm%critLoad = math_expand(prm%critLoad, prm%Ncleavage)
! sanity checks
if (prm%aTol < 0.0_pReal) extmsg = trim(extmsg)//' anisobrittle_atol'
if (prm%N <= 0.0_pReal) extmsg = trim(extmsg)//' anisobrittle_ratesensitivity'
if (prm%sdot_0 <= 0.0_pReal) extmsg = trim(extmsg)//' anisobrittle_sdot0'
prm%Ncleavage = config%getInts('ncleavage',defaultVal=emptyIntArray)
if (prm%aTol < 0.0_pReal) extmsg = trim(extmsg)//' anisobrittle_atol'
if (prm%N <= 0.0_pReal) extmsg = trim(extmsg)//' anisobrittle_n'
if (prm%sdot_0 <= 0.0_pReal) extmsg = trim(extmsg)//' anisobrittle_sdot0'
if (any(prm%critLoad < 0.0_pReal)) extmsg = trim(extmsg)//' anisobrittle_critLoad'
if (any(prm%critDisp < 0.0_pReal)) extmsg = trim(extmsg)//' anisobrittle_critDisp'
prm%critDisp = config%getFloats('anisobrittle_criticaldisplacement',requiredSize=size(prm%Ncleavage))
prm%critLoad = config%getFloats('anisobrittle_criticalload', requiredSize=size(prm%Ncleavage))
prm%cleavage_systems = lattice_SchmidMatrix_cleavage (prm%Ncleavage,config%getString('lattice_structure'),&
config%getFloat('c/a',defaultVal=0.0_pReal))
! expand: family => system
prm%critDisp = math_expand(prm%critDisp, prm%Ncleavage)
prm%critLoad = math_expand(prm%critLoad, prm%Ncleavage)
if (any(prm%critLoad < 0.0_pReal)) extmsg = trim(extmsg)//' anisobrittle_criticalload'
if (any(prm%critDisp < 0.0_pReal)) extmsg = trim(extmsg)//' anisobrittle_criticaldisplacement'
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') &
call IO_error(211,ext_msg=trim(extmsg)//'('//SOURCE_DAMAGE_ANISOBRITTLE_LABEL//')')
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'('//SOURCE_DAMAGE_ANISOBRITTLE_LABEL//')')
!--------------------------------------------------------------------------------------------------
! output pararameters
outputs = config%getStrings('(output)',defaultVal=emptyStringArray)
allocate(prm%outputID(0))
do i=1, size(outputs)
outputID = undefined_ID
select case(outputs(i))
case ('anisobrittle_drivingforce')
prm%outputID = [prm%outputID, damage_drivingforce_ID]
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
end select
enddo
NofMyPhase = count(material_phaseAt==p) * discretization_nIP
call material_allocateSourceState(p,sourceOffset,NofMyPhase,1,1,0)
sourceState(p)%p(sourceOffset)%aTolState=prm%aTol
end associate
phase = p
NofMyPhase=count(material_phaseAt==phase) * discretization_nIP
instance = source_damage_anisoBrittle_instance(phase)
sourceOffset = source_damage_anisoBrittle_offset(phase)
call material_allocateSourceState(phase,sourceOffset,NofMyPhase,1,1,0)
sourceState(phase)%p(sourceOffset)%aTolState=param(instance)%aTol
source_damage_anisoBrittle_Ncleavage(1:size(param(instance)%Ncleavage),instance) = param(instance)%Ncleavage
enddo
end subroutine source_damage_anisoBrittle_init
@ -178,49 +137,42 @@ subroutine source_damage_anisoBrittle_dotState(S, ipc, ip, el)
el !< element
real(pReal), intent(in), dimension(3,3) :: &
S
integer :: &
phase, &
constituent, &
instance, &
sourceOffset, &
damageOffset, &
homog, &
f, i, index_myFamily, index
i
real(pReal) :: &
traction_d, traction_t, traction_n, traction_crit
phase = material_phaseAt(ipc,el)
constituent = material_phasememberAt(ipc,ip,el)
instance = source_damage_anisoBrittle_instance(phase)
sourceOffset = source_damage_anisoBrittle_offset(phase)
homog = material_homogenizationAt(el)
damageOffset = damageMapping(homog)%p(ip,el)
associate(prm => param(source_damage_anisoBrittle_instance(phase)))
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) = 0.0_pReal
index = 1
do f = 1,lattice_maxNcleavageFamily
index_myFamily = sum(lattice_NcleavageSystem(1:f-1,phase)) ! at which index starts my family
do i = 1,source_damage_anisoBrittle_Ncleavage(f,instance) ! process each (active) cleavage system in family
do i = 1, prm%totalNcleavage
traction_d = math_mul33xx33(S,lattice_Scleavage(1:3,1:3,1,index_myFamily+i,phase))
traction_t = math_mul33xx33(S,lattice_Scleavage(1:3,1:3,2,index_myFamily+i,phase))
traction_n = math_mul33xx33(S,lattice_Scleavage(1:3,1:3,3,index_myFamily+i,phase))
traction_crit = param(instance)%critLoad(index)* &
damage(homog)%p(damageOffset)*damage(homog)%p(damageOffset)
traction_d = math_mul33xx33(S,prm%cleavage_systems(1:3,1:3,1,i))
traction_t = math_mul33xx33(S,prm%cleavage_systems(1:3,1:3,2,i))
traction_n = math_mul33xx33(S,prm%cleavage_systems(1:3,1:3,3,i))
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) = &
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) + &
param(instance)%sdot_0* &
((max(0.0_pReal, abs(traction_d) - traction_crit)/traction_crit)**param(instance)%N + &
(max(0.0_pReal, abs(traction_t) - traction_crit)/traction_crit)**param(instance)%N + &
(max(0.0_pReal, abs(traction_n) - traction_crit)/traction_crit)**param(instance)%N)/ &
param(instance)%critDisp(index)
traction_crit = prm%critLoad(i)*damage(homog)%p(damageOffset)**2.0_pReal
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) &
= sourceState(phase)%p(sourceOffset)%dotState(1,constituent) &
+ prm%sdot_0 / prm%critDisp(i) &
* ((max(0.0_pReal, abs(traction_d) - traction_crit)/traction_crit)**prm%N + &
(max(0.0_pReal, abs(traction_t) - traction_crit)/traction_crit)**prm%N + &
(max(0.0_pReal, abs(traction_n) - traction_crit)/traction_crit)**prm%N)
index = index + 1
enddo
enddo
end associate
end subroutine source_damage_anisoBrittle_dotState
@ -238,16 +190,17 @@ subroutine source_damage_anisobrittle_getRateAndItsTangent(localphiDot, dLocalph
real(pReal), intent(out) :: &
localphiDot, &
dLocalphiDot_dPhi
integer :: &
sourceOffset
sourceOffset = source_damage_anisoBrittle_offset(phase)
localphiDot = 1.0_pReal &
- sourceState(phase)%p(sourceOffset)%state(1,constituent)*phi
dLocalphiDot_dPhi = -sourceState(phase)%p(sourceOffset)%state(1,constituent)
localphiDot = 1.0_pReal &
+ dLocalphiDot_dPhi*phi
end subroutine source_damage_anisoBrittle_getRateAndItsTangent
@ -256,21 +209,20 @@ end subroutine source_damage_anisoBrittle_getRateAndItsTangent
!--------------------------------------------------------------------------------------------------
subroutine source_damage_anisoBrittle_results(phase,group)
integer, intent(in) :: phase
character(len=*), intent(in) :: group
integer :: sourceOffset, o, instance
instance = source_damage_anisoBrittle_instance(phase)
sourceOffset = source_damage_anisoBrittle_offset(phase)
integer, intent(in) :: phase
character(len=*), intent(in) :: group
associate(prm => param(instance), stt => sourceState(phase)%p(sourceOffset)%state)
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
case (damage_drivingforce_ID)
call results_writeDataset(group,stt,'tbd','driving force','tbd')
end select
enddo outputsLoop
end associate
integer :: o
associate(prm => param(source_damage_anisoBrittle_instance(phase)), &
stt => sourceState(phase)%p(source_damage_anisoBrittle_offset(phase))%state)
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case ('anisobrittle_drivingforce')
call results_writeDataset(group,stt,'tbd','driving force','tbd')
end select
enddo outputsLoop
end associate
end subroutine source_damage_anisoBrittle_results

199
src/source_damage_anisoDuctile.f90
View File

@ -13,21 +13,15 @@ module source_damage_anisoDuctile
use material
use config
use results
implicit none
private
integer, dimension(:), allocatable :: &
source_damage_anisoDuctile_offset, & !< which source is my current damage mechanism?
source_damage_anisoDuctile_instance !< instance of damage source mechanism
enum, bind(c)
enumerator :: undefined_ID, &
damage_drivingforce_ID
end enum
type, private :: tParameters !< container type for internal constitutive parameters
type, private :: tParameters !< container type for internal constitutive parameters
real(pReal) :: &
aTol, &
N
@ -37,13 +31,13 @@ module source_damage_anisoDuctile
totalNslip
integer, dimension(:), allocatable :: &
Nslip
integer(kind(undefined_ID)), allocatable, dimension(:) :: &
outputID
character(len=pStringLen), allocatable, dimension(:) :: &
output
end type tParameters
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance)
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance)
public :: &
source_damage_anisoDuctile_init, &
source_damage_anisoDuctile_dotState, &
@ -58,93 +52,64 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
subroutine source_damage_anisoDuctile_init
integer :: Ninstance,phase,instance,source,sourceOffset
integer :: NofMyPhase,p ,i
integer(kind(undefined_ID)) :: &
outputID
character(len=pStringLen) :: &
extmsg = ''
character(len=pStringLen), dimension(:), allocatable :: &
outputs
write(6,'(/,a)') ' <<<+- source_'//SOURCE_DAMAGE_ANISODUCTILE_LABEL//' init -+>>>'; flush(6)
Ninstance = count(phase_source == SOURCE_damage_anisoDuctile_ID)
if (Ninstance == 0) return
integer :: Ninstance,sourceOffset,NofMyPhase,p
character(len=pStringLen) :: extmsg = ''
write(6,'(/,a)') ' <<<+- source_'//SOURCE_DAMAGE_ANISODUCTILE_LABEL//' init -+>>>'; flush(6)
Ninstance = count(phase_source == SOURCE_DAMAGE_ANISODUCTILE_ID)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
allocate(source_damage_anisoDuctile_offset(size(config_phase)), source=0)
allocate(source_damage_anisoDuctile_offset (size(config_phase)), source=0)
allocate(source_damage_anisoDuctile_instance(size(config_phase)), source=0)
do phase = 1, size(config_phase)
source_damage_anisoDuctile_instance(phase) = count(phase_source(:,1:phase) == source_damage_anisoDuctile_ID)
do source = 1, phase_Nsources(phase)
if (phase_source(source,phase) == source_damage_anisoDuctile_ID) &
source_damage_anisoDuctile_offset(phase) = source
enddo
enddo
allocate(param(Ninstance))
do p=1, size(config_phase)
do p = 1, size(config_phase)
source_damage_anisoDuctile_instance(p) = count(phase_source(:,1:p) == SOURCE_DAMAGE_ANISODUCTILE_ID)
do sourceOffset = 1, phase_Nsources(p)
if (phase_source(sourceOffset,p) == SOURCE_DAMAGE_ANISODUCTILE_ID) then
source_damage_anisoDuctile_offset(p) = sourceOffset
exit
endif
enddo
if (all(phase_source(:,p) /= SOURCE_DAMAGE_ANISODUCTILE_ID)) cycle
associate(prm => param(source_damage_anisoDuctile_instance(p)), &
config => config_phase(p))
prm%aTol = config%getFloat('anisoductile_atol',defaultVal = 1.0e-3_pReal)
prm%N = config%getFloat('anisoductile_ratesensitivity')
prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray)
prm%totalNslip = sum(prm%Nslip)
! sanity checks
if (prm%aTol < 0.0_pReal) extmsg = trim(extmsg)//' anisoductile_atol'
if (prm%N <= 0.0_pReal) extmsg = trim(extmsg)//' anisoductile_ratesensitivity'
prm%Nslip = config%getInts('nslip',defaultVal=emptyIntArray)
prm%aTol = config%getFloat('anisoductile_atol',defaultVal = 1.0e-3_pReal)
prm%N = config%getFloat('anisoductile_ratesensitivity')
prm%critPlasticStrain = config%getFloats('anisoductile_criticalplasticstrain',requiredSize=size(prm%Nslip))
! expand: family => system
prm%critPlasticStrain = math_expand(prm%critPlasticStrain, prm%Nslip)
if (any(prm%critPlasticStrain < 0.0_pReal)) extmsg = trim(extmsg)//' anisoductile_criticalplasticstrain'
! expand: family => system
prm%critPlasticStrain = math_expand(prm%critPlasticStrain, prm%Nslip)
! sanity checks
if (prm%aTol < 0.0_pReal) extmsg = trim(extmsg)//' anisoductile_atol'
if (prm%N <= 0.0_pReal) extmsg = trim(extmsg)//' anisoductile_ratesensitivity'
if (any(prm%critPlasticStrain < 0.0_pReal)) extmsg = trim(extmsg)//' anisoductile_criticalplasticstrain'
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'('//SOURCE_DAMAGE_ANISODUCTILE_LABEL//')')
!--------------------------------------------------------------------------------------------------
! output pararameters
outputs = config%getStrings('(output)',defaultVal=emptyStringArray)
allocate(prm%outputID(0))
do i=1, size(outputs)
outputID = undefined_ID
select case(outputs(i))
case ('anisoductile_drivingforce')
prm%outputID = [prm%outputID, damage_drivingforce_ID]
end select
enddo
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
NofMyPhase=count(material_phaseAt==p) * discretization_nIP
call material_allocateSourceState(p,sourceOffset,NofMyPhase,1,1,0)
sourceState(p)%p(sourceOffset)%aTolState=prm%aTol
end associate
phase = p
NofMyPhase=count(material_phaseAt==phase) * discretization_nIP
instance = source_damage_anisoDuctile_instance(phase)
sourceOffset = source_damage_anisoDuctile_offset(phase)
call material_allocateSourceState(phase,sourceOffset,NofMyPhase,1,1,0)
sourceState(phase)%p(sourceOffset)%aTolState=param(instance)%aTol
enddo
end subroutine source_damage_anisoDuctile_init
@ -157,29 +122,29 @@ subroutine source_damage_anisoDuctile_dotState(ipc, ip, el)
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
integer :: &
phase, &
constituent, &
sourceOffset, &
homog, damageOffset, &
instance, &
damageOffset, &
homog, &
i
phase = material_phaseAt(ipc,el)
constituent = material_phasememberAt(ipc,ip,el)
instance = source_damage_anisoDuctile_instance(phase)
sourceOffset = source_damage_anisoDuctile_offset(phase)
homog = material_homogenizationAt(el)
damageOffset = damageMapping(homog)%p(ip,el)
do i = 1, param(instance)%totalNslip
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) = &
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) + &
plasticState(phase)%slipRate(i,constituent)/ &
((damage(homog)%p(damageOffset))**param(instance)%N)/param(instance)%critPlasticStrain(i)
associate(prm => param(source_damage_anisoDuctile_instance(phase)))
do i = 1, prm%totalNslip
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) &
= sourceState(phase)%p(sourceOffset)%dotState(1,constituent) &
+ plasticState(phase)%slipRate(i,constituent)/(damage(homog)%p(damageOffset)**prm%N)/prm%critPlasticStrain(i)
enddo
end associate
end subroutine source_damage_anisoDuctile_dotState
@ -196,16 +161,17 @@ subroutine source_damage_anisoDuctile_getRateAndItsTangent(localphiDot, dLocalph
real(pReal), intent(out) :: &
localphiDot, &
dLocalphiDot_dPhi
integer :: &
sourceOffset
sourceOffset = source_damage_anisoDuctile_offset(phase)
localphiDot = 1.0_pReal &
- sourceState(phase)%p(sourceOffset)%state(1,constituent) * phi
dLocalphiDot_dPhi = -sourceState(phase)%p(sourceOffset)%state(1,constituent)
localphiDot = 1.0_pReal &
+ dLocalphiDot_dPhi*phi
end subroutine source_damage_anisoDuctile_getRateAndItsTangent
@ -214,21 +180,20 @@ end subroutine source_damage_anisoDuctile_getRateAndItsTangent
!--------------------------------------------------------------------------------------------------
subroutine source_damage_anisoDuctile_results(phase,group)
integer, intent(in) :: phase
integer, intent(in) :: phase
character(len=*), intent(in) :: group
integer :: sourceOffset, o, instance
instance = source_damage_anisoDuctile_instance(phase)
sourceOffset = source_damage_anisoDuctile_offset(phase)
associate(prm => param(instance), stt => sourceState(phase)%p(sourceOffset)%state)
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
case (damage_drivingforce_ID)
call results_writeDataset(group,stt,'tbd','driving force','tbd')
end select
enddo outputsLoop
end associate
integer :: o
associate(prm => param(source_damage_anisoDuctile_instance(phase)), &
stt => sourceState(phase)%p(source_damage_anisoDuctile_offset(phase))%state)
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case ('anisoductile_drivingforce')
call results_writeDataset(group,stt,'tbd','driving force','tbd')
end select
enddo outputsLoop
end associate
end subroutine source_damage_anisoDuctile_results

177
src/source_damage_isoBrittle.f90
View File

@ -16,34 +16,28 @@ module source_damage_isoBrittle
implicit none
private
integer, dimension(:), allocatable :: &
source_damage_isoBrittle_offset, &
source_damage_isoBrittle_instance
enum, bind(c)
enumerator :: &
undefined_ID, &
damage_drivingforce_ID
end enum
type, private :: tParameters !< container type for internal constitutive parameters
real(pReal) :: &
critStrainEnergy, &
N, &
aTol
integer(kind(undefined_ID)), allocatable, dimension(:) :: &
outputID
character(len=pStringLen), allocatable, dimension(:) :: &
output
end type tParameters
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstance)
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstance)
public :: &
source_damage_isoBrittle_init, &
source_damage_isoBrittle_deltaState, &
source_damage_isoBrittle_getRateAndItsTangent, &
source_damage_isoBrittle_Results
source_damage_isoBrittle_results
contains
@ -54,52 +48,41 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine source_damage_isoBrittle_init
integer :: Ninstance,phase,instance,source,sourceOffset
integer :: NofMyPhase,p,i
integer(kind(undefined_ID)) :: &
outputID
character(len=pStringLen) :: &
extmsg = ''
character(len=pStringLen), dimension(:), allocatable :: &
outputs
write(6,'(/,a)') ' <<<+- source_'//SOURCE_DAMAGE_ISOBRITTLE_LABEL//' init -+>>>'; flush(6)
Ninstance = count(phase_source == SOURCE_damage_isoBrittle_ID)
if (Ninstance == 0) return
integer :: Ninstance,sourceOffset,NofMyPhase,p
character(len=pStringLen) :: extmsg = ''
write(6,'(/,a)') ' <<<+- source_'//SOURCE_DAMAGE_ISOBRITTLE_LABEL//' init -+>>>'; flush(6)
Ninstance = count(phase_source == SOURCE_DAMAGE_ISOBRITTLE_ID)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
allocate(source_damage_isoBrittle_offset(material_Nphase), source=0)
allocate(source_damage_isoBrittle_instance(material_Nphase), source=0)
do phase = 1, material_Nphase
source_damage_isoBrittle_instance(phase) = count(phase_source(:,1:phase) == source_damage_isoBrittle_ID)
do source = 1, phase_Nsources(phase)
if (phase_source(source,phase) == source_damage_isoBrittle_ID) &
source_damage_isoBrittle_offset(phase) = source
enddo
enddo
allocate(source_damage_isoBrittle_offset (size(config_phase)), source=0)
allocate(source_damage_isoBrittle_instance(size(config_phase)), source=0)
allocate(param(Ninstance))
do p=1, size(config_phase)
do p = 1, size(config_phase)
source_damage_isoBrittle_instance(p) = count(phase_source(:,1:p) == SOURCE_DAMAGE_ISOBRITTLE_ID)
do sourceOffset = 1, phase_Nsources(p)
if (phase_source(sourceOffset,p) == SOURCE_DAMAGE_ISOBRITTLE_ID) then
source_damage_isoBrittle_offset(p) = sourceOffset
exit
endif
enddo
if (all(phase_source(:,p) /= SOURCE_DAMAGE_ISOBRITTLE_ID)) cycle
associate(prm => param(source_damage_isoBrittle_instance(p)), &
config => config_phase(p))
prm%aTol = config%getFloat('isobrittle_atol',defaultVal = 1.0e-3_pReal)
prm%N = config%getFloat('isobrittle_n')
prm%critStrainEnergy = config%getFloat('isobrittle_criticalstrainenergy')
! sanity checks
if (prm%aTol < 0.0_pReal) extmsg = trim(extmsg)//' isobrittle_atol'
if (prm%N <= 0.0_pReal) extmsg = trim(extmsg)//' isobrittle_n'
if (prm%critStrainEnergy <= 0.0_pReal) extmsg = trim(extmsg)//' isobrittle_criticalstrainenergy'
if (prm%aTol < 0.0_pReal) extmsg = trim(extmsg)//' isobrittle_atol'
if (prm%N <= 0.0_pReal) extmsg = trim(extmsg)//' isobrittle_n'
if (prm%critStrainEnergy <= 0.0_pReal) extmsg = trim(extmsg)//' isobrittle_criticalstrainenergy'
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') &
@ -107,34 +90,18 @@ subroutine source_damage_isoBrittle_init
!--------------------------------------------------------------------------------------------------
! output pararameters
outputs = config%getStrings('(output)',defaultVal=emptyStringArray)
allocate(prm%outputID(0))
do i=1, size(outputs)
outputID = undefined_ID
select case(outputs(i))
case ('isobrittle_drivingforce')
prm%outputID = [prm%outputID, damage_drivingforce_ID]
end select
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
enddo
NofMyPhase = count(material_phaseAt==p) * discretization_nIP
call material_allocateSourceState(p,sourceOffset,NofMyPhase,1,1,1)
sourceState(p)%p(sourceOffset)%aTolState=prm%aTol
end associate
phase = p
NofMyPhase = count(material_phaseAt==phase) * discretization_nIP
instance = source_damage_isoBrittle_instance(phase)
sourceOffset = source_damage_isoBrittle_offset(phase)
call material_allocateSourceState(phase,sourceOffset,NofMyPhase,1,1,1)
sourceState(phase)%p(sourceOffset)%aTolState=param(instance)%aTol
enddo
end subroutine source_damage_isoBrittle_init
!--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state
!--------------------------------------------------------------------------------------------------
@ -148,24 +115,26 @@ subroutine source_damage_isoBrittle_deltaState(C, Fe, ipc, ip, el)
Fe
real(pReal), intent(in), dimension(6,6) :: &
C
integer :: &
phase, constituent, instance, sourceOffset
phase, &
constituent, &
sourceOffset
real(pReal), dimension(6) :: &
strain
real(pReal) :: &
strain(6), &
strainenergy
phase = material_phaseAt(ipc,el) !< phase ID at ipc,ip,el
constituent = material_phasememberAt(ipc,ip,el) !< state array offset for phase ID at ipc,ip,el
! ToDo: capability for multiple instances of SAME source within given phase. Needs Ninstance loop from here on!
instance = source_damage_isoBrittle_instance(phase) !< instance of damage_isoBrittle source
phase = material_phaseAt(ipc,el) !< phase ID at ipc,ip,el
constituent = material_phasememberAt(ipc,ip,el) !< state array offset for phase ID at ipc,ip,el
sourceOffset = source_damage_isoBrittle_offset(phase)
strain = 0.5_pReal*math_sym33to6(matmul(transpose(Fe),Fe)-math_I3)
strainenergy = 2.0_pReal*sum(strain*matmul(C,strain))/param(instance)%critStrainEnergy
associate(prm => param(source_damage_isoBrittle_instance(phase)))
strainenergy = 2.0_pReal*sum(strain*matmul(C,strain))/prm%critStrainEnergy
! ToDo: check strainenergy = 2.0_pReal*dot_product(strain,matmul(C,strain))/param(instance)%critStrainEnergy
if (strainenergy > sourceState(phase)%p(sourceOffset)%subState0(1,constituent)) then
sourceState(phase)%p(sourceOffset)%deltaState(1,constituent) = &
strainenergy - sourceState(phase)%p(sourceOffset)%state(1,constituent)
@ -174,9 +143,11 @@ subroutine source_damage_isoBrittle_deltaState(C, Fe, ipc, ip, el)
sourceState(phase)%p(sourceOffset)%subState0(1,constituent) - &
sourceState(phase)%p(sourceOffset)%state(1,constituent)
endif
end associate
end subroutine source_damage_isoBrittle_deltaState
!--------------------------------------------------------------------------------------------------
!> @brief returns local part of nonlocal damage driving force
!--------------------------------------------------------------------------------------------------
@ -190,18 +161,19 @@ subroutine source_damage_isoBrittle_getRateAndItsTangent(localphiDot, dLocalphiD
real(pReal), intent(out) :: &
localphiDot, &
dLocalphiDot_dPhi
integer :: &
instance, sourceOffset
instance = source_damage_isoBrittle_instance(phase)
integer :: &
sourceOffset
sourceOffset = source_damage_isoBrittle_offset(phase)
localphiDot = (1.0_pReal - phi)**(param(instance)%N - 1.0_pReal) - &
phi*sourceState(phase)%p(sourceOffset)%state(1,constituent)
dLocalphiDot_dPhi = - (param(instance)%N - 1.0_pReal)* &
(1.0_pReal - phi)**max(0.0_pReal,param(instance)%N - 2.0_pReal) &
associate(prm => param(source_damage_isoBrittle_instance(phase)))
localphiDot = (1.0_pReal - phi)**(prm%n - 1.0_pReal) &
- phi*sourceState(phase)%p(sourceOffset)%state(1,constituent)
dLocalphiDot_dPhi = - (prm%n - 1.0_pReal)* (1.0_pReal - phi)**max(0.0_pReal,prm%n - 2.0_pReal) &
- sourceState(phase)%p(sourceOffset)%state(1,constituent)
end associate
end subroutine source_damage_isoBrittle_getRateAndItsTangent
@ -210,21 +182,20 @@ end subroutine source_damage_isoBrittle_getRateAndItsTangent
!--------------------------------------------------------------------------------------------------
subroutine source_damage_isoBrittle_results(phase,group)
integer, intent(in) :: phase
character(len=*), intent(in) :: group
integer :: sourceOffset, o, instance
instance = source_damage_isoBrittle_instance(phase)
sourceOffset = source_damage_isoBrittle_offset(phase)
integer, intent(in) :: phase
character(len=*), intent(in) :: group
associate(prm => param(instance), stt => sourceState(phase)%p(sourceOffset)%state)
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
case (damage_drivingforce_ID)
call results_writeDataset(group,stt,'tbd','driving force','tbd')
end select
enddo outputsLoop
end associate
integer :: o
associate(prm => param(source_damage_isoBrittle_instance(phase)), &
stt => sourceState(phase)%p(source_damage_isoBrittle_offset(phase))%state)
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case ('isobrittle_drivingforce')
call results_writeDataset(group,stt,'tbd','driving force','tbd')
end select
enddo outputsLoop
end associate
end subroutine source_damage_isoBrittle_results

262
src/source_damage_isoDuctile.f90
View File

@ -5,42 +5,38 @@
!> @details to be done
!--------------------------------------------------------------------------------------------------
module source_damage_isoDuctile
use prec
use debug
use IO
use discretization
use material
use config
use results
use prec
use debug
use IO
use discretization
use material
use config
use results
implicit none
private
integer, dimension(:), allocatable :: &
source_damage_isoDuctile_offset, & !< which source is my current damage mechanism?
source_damage_isoDuctile_instance !< instance of damage source mechanism
implicit none
private
enum, bind(c)
enumerator :: undefined_ID, &
damage_drivingforce_ID
end enum !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ToDo
integer, dimension(:), allocatable :: &
source_damage_isoDuctile_offset, & !< which source is my current damage mechanism?
source_damage_isoDuctile_instance !< instance of damage source mechanism
type, private :: tParameters !< container type for internal constitutive parameters
real(pReal) :: &
critPlasticStrain, &
N, &
aTol
integer(kind(undefined_ID)), allocatable, dimension(:) :: &
outputID
end type tParameters
type, private :: tParameters !< container type for internal constitutive parameters
real(pReal) :: &
critPlasticStrain, &
N, &
aTol
character(len=pStringLen), allocatable, dimension(:) :: &
output
end type tParameters
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance)
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance)
public :: &
source_damage_isoDuctile_init, &
source_damage_isoDuctile_dotState, &
source_damage_isoDuctile_getRateAndItsTangent, &
source_damage_isoDuctile_Results
public :: &
source_damage_isoDuctile_init, &
source_damage_isoDuctile_dotState, &
source_damage_isoDuctile_getRateAndItsTangent, &
source_damage_isoDuctile_Results
contains
@ -51,135 +47,115 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine source_damage_isoDuctile_init
integer :: Ninstance,phase,instance,source,sourceOffset
integer :: NofMyPhase,p,i
integer(kind(undefined_ID)) :: &
outputID
integer :: Ninstance,sourceOffset,NofMyPhase,p
character(len=pStringLen) :: extmsg = ''
character(len=pStringLen) :: &
extmsg = ''
character(len=pStringLen), dimension(:), allocatable :: &
outputs
write(6,'(/,a)') ' <<<+- source_'//SOURCE_DAMAGE_ISODUCTILE_LABEL//' init -+>>>'; flush(6)
write(6,'(/,a)') ' <<<+- source_'//SOURCE_DAMAGE_ISODUCTILE_LABEL//' init -+>>>'
Ninstance = count(phase_source == SOURCE_DAMAGE_ISODUCTILE_ID)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
Ninstance = count(phase_source == SOURCE_damage_isoDuctile_ID)
if (Ninstance == 0) return
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
allocate(source_damage_isoDuctile_offset(material_Nphase), source=0)
allocate(source_damage_isoDuctile_instance(material_Nphase), source=0)
do phase = 1, material_Nphase
source_damage_isoDuctile_instance(phase) = count(phase_source(:,1:phase) == source_damage_isoDuctile_ID)
do source = 1, phase_Nsources(phase)
if (phase_source(source,phase) == source_damage_isoDuctile_ID) &
source_damage_isoDuctile_offset(phase) = source
enddo
enddo
allocate(source_damage_isoDuctile_offset (size(config_phase)), source=0)
allocate(source_damage_isoDuctile_instance(size(config_phase)), source=0)
allocate(param(Ninstance))
allocate(param(Ninstance))
do p=1, size(config_phase)
if (all(phase_source(:,p) /= SOURCE_DAMAGE_ISODUCTILE_ID)) cycle
associate(prm => param(source_damage_isoDuctile_instance(p)), &
config => config_phase(p))
prm%aTol = config%getFloat('isoductile_atol',defaultVal = 1.0e-3_pReal)
do p = 1, size(config_phase)
source_damage_isoDuctile_instance(p) = count(phase_source(:,1:p) == SOURCE_DAMAGE_ISODUCTILE_ID)
do sourceOffset = 1, phase_Nsources(p)
if (phase_source(sourceOffset,p) == SOURCE_DAMAGE_ISODUCTILE_ID) then
source_damage_isoDuctile_offset(p) = sourceOffset
exit
endif
enddo
if (all(phase_source(:,p) /= SOURCE_DAMAGE_ISODUCTILE_ID)) cycle
associate(prm => param(source_damage_isoDuctile_instance(p)), &
config => config_phase(p))
prm%aTol = config%getFloat('isoductile_atol',defaultVal = 1.0e-3_pReal)
prm%N = config%getFloat('isoductile_ratesensitivity')
prm%critPlasticStrain = config%getFloat('isoductile_criticalplasticstrain')
! sanity checks
if (prm%aTol < 0.0_pReal) extmsg = trim(extmsg)//' isoductile_atol'
if (prm%N <= 0.0_pReal) extmsg = trim(extmsg)//' isoductile_ratesensitivity'
if (prm%critPlasticStrain <= 0.0_pReal) extmsg = trim(extmsg)//' isoductile_criticalplasticstrain'
prm%N = config%getFloat('isoductile_ratesensitivity')
prm%critPlasticStrain = config%getFloat('isoductile_criticalplasticstrain')
! sanity checks
if (prm%aTol < 0.0_pReal) extmsg = trim(extmsg)//' isoductile_atol'
if (prm%N <= 0.0_pReal) extmsg = trim(extmsg)//' isoductile_ratesensitivity'
if (prm%critPlasticStrain <= 0.0_pReal) extmsg = trim(extmsg)//' isoductile_criticalplasticstrain'
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') &
call IO_error(211,ext_msg=trim(extmsg)//'('//SOURCE_DAMAGE_ISODUCTILE_LABEL//')')
if (extmsg /= '') &
call IO_error(211,ext_msg=trim(extmsg)//'('//SOURCE_DAMAGE_ISODUCTILE_LABEL//')')
!--------------------------------------------------------------------------------------------------
! output pararameters
outputs = config%getStrings('(output)',defaultVal=emptyStringArray)
allocate(prm%outputID(0))
do i=1, size(outputs)
outputID = undefined_ID
select case(outputs(i))
case ('isoductile_drivingforce')
prm%outputID = [prm%outputID, damage_drivingforce_ID]
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
end select
NofMyPhase=count(material_phaseAt==p) * discretization_nIP
call material_allocateSourceState(p,sourceOffset,NofMyPhase,1,1,0)
sourceState(p)%p(sourceOffset)%aTolState=prm%aTol
enddo
end associate
enddo
end associate
phase = p
NofMyPhase=count(material_phaseAt==phase) * discretization_nIP
instance = source_damage_isoDuctile_instance(phase)
sourceOffset = source_damage_isoDuctile_offset(phase)
call material_allocateSourceState(phase,sourceOffset,NofMyPhase,1,1,0)
sourceState(phase)%p(sourceOffset)%aTolState=param(instance)%aTol
enddo
end subroutine source_damage_isoDuctile_init
!--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state
!--------------------------------------------------------------------------------------------------
subroutine source_damage_isoDuctile_dotState(ipc, ip, el)
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
integer :: &
phase, constituent, instance, homog, sourceOffset, damageOffset
integer, intent(in) :: &
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
phase = material_phaseAt(ipc,el)
constituent = material_phasememberAt(ipc,ip,el)
instance = source_damage_isoDuctile_instance(phase)
sourceOffset = source_damage_isoDuctile_offset(phase)
homog = material_homogenizationAt(el)
damageOffset = damageMapping(homog)%p(ip,el)
integer :: &
phase, &
constituent, &
sourceOffset, &
damageOffset, &
homog
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) = &
sum(plasticState(phase)%slipRate(:,constituent))/ &
((damage(homog)%p(damageOffset))**param(instance)%N)/ &
param(instance)%critPlasticStrain
phase = material_phaseAt(ipc,el)
constituent = material_phasememberAt(ipc,ip,el)
sourceOffset = source_damage_isoDuctile_offset(phase)
homog = material_homogenizationAt(el)
damageOffset = damageMapping(homog)%p(ip,el)
associate(prm => param(source_damage_isoDuctile_instance(phase)))
sourceState(phase)%p(sourceOffset)%dotState(1,constituent) = &
sum(plasticState(phase)%slipRate(:,constituent))/(damage(homog)%p(damageOffset)**prm%N)/prm%critPlasticStrain
end associate
end subroutine source_damage_isoDuctile_dotState
!--------------------------------------------------------------------------------------------------
!> @brief returns local part of nonlocal damage driving force
!--------------------------------------------------------------------------------------------------
subroutine source_damage_isoDuctile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
integer, intent(in) :: &
phase, &
constituent
real(pReal), intent(in) :: &
phi
real(pReal), intent(out) :: &
localphiDot, &
dLocalphiDot_dPhi
integer :: &
sourceOffset
integer, intent(in) :: &
phase, &
constituent
real(pReal), intent(in) :: &
phi
real(pReal), intent(out) :: &
localphiDot, &
dLocalphiDot_dPhi
integer :: &
sourceOffset
sourceOffset = source_damage_isoDuctile_offset(phase)
dLocalphiDot_dPhi = -sourceState(phase)%p(sourceOffset)%state(1,constituent)
localphiDot = 1.0_pReal &
+ dLocalphiDot_dPhi*phi
sourceOffset = source_damage_isoDuctile_offset(phase)
localphiDot = 1.0_pReal &
- sourceState(phase)%p(sourceOffset)%state(1,constituent) * phi
dLocalphiDot_dPhi = -sourceState(phase)%p(sourceOffset)%state(1,constituent)
end subroutine source_damage_isoDuctile_getRateAndItsTangent
@ -188,23 +164,21 @@ end subroutine source_damage_isoDuctile_getRateAndItsTangent
!--------------------------------------------------------------------------------------------------
subroutine source_damage_isoDuctile_results(phase,group)
integer, intent(in) :: phase
character(len=*), intent(in) :: group
integer :: sourceOffset, o, instance
instance = source_damage_isoDuctile_instance(phase)
sourceOffset = source_damage_isoDuctile_offset(phase)
integer, intent(in) :: phase
character(len=*), intent(in) :: group
associate(prm => param(instance), stt => sourceState(phase)%p(sourceOffset)%state)
outputsLoop: do o = 1,size(prm%outputID)
select case(prm%outputID(o))
case (damage_drivingforce_ID)
call results_writeDataset(group,stt,'tbd','driving force','tbd')
end select
enddo outputsLoop
end associate
integer :: o
associate(prm => param(source_damage_isoDuctile_instance(phase)), &
stt => sourceState(phase)%p(source_damage_isoDuctile_offset(phase))%state)
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case ('isoductile_drivingforce')
call results_writeDataset(group,stt,'tbd','driving force','tbd')
end select
enddo outputsLoop
end associate
end subroutine source_damage_isoDuctile_results
end module source_damage_isoDuctile

89
src/source_thermal_dissipation.f90
View File

@ -10,26 +10,26 @@ module source_thermal_dissipation
use discretization
use material
use config
implicit none
private
integer, dimension(:), allocatable :: &
source_thermal_dissipation_offset, & !< which source is my current thermal dissipation mechanism?
source_thermal_dissipation_instance !< instance of thermal dissipation source mechanism
type :: tParameters !< container type for internal constitutive parameters
real(pReal) :: &
kappa
end type tParameters
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstance)
public :: &
source_thermal_dissipation_init, &
source_thermal_dissipation_getRateAndItsTangent
contains
@ -38,47 +38,47 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
subroutine source_thermal_dissipation_init
integer :: Ninstance,instance,source,sourceOffset,NofMyPhase,p
write(6,'(/,a)') ' <<<+- source_'//SOURCE_thermal_dissipation_label//' init -+>>>'; flush(6)
Ninstance = count(phase_source == SOURCE_thermal_dissipation_ID)
if (Ninstance == 0) return
integer :: Ninstance,sourceOffset,NofMyPhase,p
write(6,'(/,a)') ' <<<+- source_'//SOURCE_thermal_dissipation_label//' init -+>>>'; flush(6)
Ninstance = count(phase_source == SOURCE_THERMAL_DISSIPATION_ID)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
allocate(source_thermal_dissipation_offset(material_Nphase), source=0)
allocate(source_thermal_dissipation_instance(material_Nphase), source=0)
allocate(source_thermal_dissipation_offset (size(config_phase)), source=0)
allocate(source_thermal_dissipation_instance(size(config_phase)), source=0)
allocate(param(Ninstance))
do p = 1, material_Nphase
source_thermal_dissipation_instance(p) = count(phase_source(:,1:p) == SOURCE_thermal_dissipation_ID)
do source = 1, phase_Nsources(p)
if (phase_source(source,p) == SOURCE_thermal_dissipation_ID) &
source_thermal_dissipation_offset(p) = source
enddo
enddo
do p=1, size(config_phase)
do p = 1, size(config_phase)
source_thermal_dissipation_instance(p) = count(phase_source(:,1:p) == SOURCE_THERMAL_DISSIPATION_ID)
do sourceOffset = 1, phase_Nsources(p)
if (phase_source(sourceOffset,p) == SOURCE_THERMAL_DISSIPATION_ID) then
source_thermal_dissipation_offset(p) = sourceOffset
exit
endif
enddo
if (all(phase_source(:,p) /= SOURCE_THERMAL_DISSIPATION_ID)) cycle
instance = source_thermal_dissipation_instance(p)
param(instance)%kappa = config_phase(p)%getFloat('dissipation_coldworkcoeff')
associate(prm => param(source_thermal_dissipation_instance(p)), &
config => config_phase(p))
prm%kappa = config%getFloat('dissipation_coldworkcoeff')
NofMyPhase = count(material_phaseAt==p) * discretization_nIP
sourceOffset = source_thermal_dissipation_offset(p)
call material_allocateSourceState(p,sourceOffset,NofMyPhase,0,0,0)
end associate
enddo
end subroutine source_thermal_dissipation_init
!--------------------------------------------------------------------------------------------------
!> @brief returns dissipation rate
!> @brief Ninstances dissipation rate
!--------------------------------------------------------------------------------------------------
subroutine source_thermal_dissipation_getRateAndItsTangent(TDot, dTDOT_dT, Tstar, Lp, phase)
subroutine source_thermal_dissipation_getRateAndItsTangent(TDot, dTDot_dT, Tstar, Lp, phase)
integer, intent(in) :: &
phase
@ -86,17 +86,16 @@ subroutine source_thermal_dissipation_getRateAndItsTangent(TDot, dTDOT_dT, Tstar
Tstar
real(pReal), intent(in), dimension(3,3) :: &
Lp
real(pReal), intent(out) :: &
TDot, &
dTDOT_dT
integer :: &
instance
instance = source_thermal_dissipation_instance(phase)
TDot = param(instance)%kappa*sum(abs(Tstar*Lp))
dTDOT_dT = 0.0_pReal
dTDot_dT
associate(prm => param(source_thermal_dissipation_instance(phase)))
TDot = prm%kappa*sum(abs(Tstar*Lp))
dTDot_dT = 0.0_pReal
end associate
end subroutine source_thermal_dissipation_getRateAndItsTangent
end module source_thermal_dissipation

104
src/source_thermal_externalheat.f90
View File

@ -18,7 +18,7 @@ module source_thermal_externalheat
source_thermal_externalheat_offset, & !< which source is my current thermal dissipation mechanism?
source_thermal_externalheat_instance !< instance of thermal dissipation source mechanism
type :: tParameters !< container type for internal constitutive parameters
type :: tParameters !< container type for internal constitutive parameters
real(pReal), dimension(:), allocatable :: &
time, &
heat_rate
@ -42,44 +42,41 @@ contains
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
subroutine source_thermal_externalheat_init
integer :: maxNinstance,instance,source,sourceOffset,NofMyPhase,p
write(6,'(/,a)') ' <<<+- source_'//SOURCE_thermal_externalheat_label//' init -+>>>'; flush(6)
maxNinstance = count(phase_source == SOURCE_thermal_externalheat_ID)
if (maxNinstance == 0) return
integer :: Ninstance,sourceOffset,NofMyPhase,p
write(6,'(/,a)') ' <<<+- source_'//SOURCE_thermal_externalheat_label//' init -+>>>'; flush(6)
Ninstance = count(phase_source == SOURCE_thermal_externalheat_ID)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0) &
write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance
allocate(source_thermal_externalheat_offset(material_Nphase), source=0)
allocate(source_thermal_externalheat_instance(material_Nphase), source=0)
do p = 1, material_Nphase
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
allocate(source_thermal_externalheat_offset (size(config_phase)), source=0)
allocate(source_thermal_externalheat_instance(size(config_phase)), source=0)
allocate(param(Ninstance))
do p = 1, size(config_phase)
source_thermal_externalheat_instance(p) = count(phase_source(:,1:p) == SOURCE_thermal_externalheat_ID)
do source = 1, phase_Nsources(p)
if (phase_source(source,p) == SOURCE_thermal_externalheat_ID) &
source_thermal_externalheat_offset(p) = source
enddo
enddo
allocate(param(maxNinstance))
do p=1, size(config_phase)
do sourceOffset = 1, phase_Nsources(p)
if (phase_source(sourceOffset,p) == SOURCE_thermal_externalheat_ID) then
source_thermal_externalheat_offset(p) = sourceOffset
exit
endif
enddo
if (all(phase_source(:,p) /= SOURCE_thermal_externalheat_ID)) cycle
instance = source_thermal_externalheat_instance(p)
sourceOffset = source_thermal_externalheat_offset(p)
associate(prm => param(source_thermal_externalheat_instance(p)), &
config => config_phase(p))
prm%time = config%getFloats('externalheat_time')
prm%nIntervals = size(prm%time) - 1
prm%heat_rate = config%getFloats('externalheat_rate',requiredSize = size(prm%time))
NofMyPhase = count(material_phaseAt==p) * discretization_nIP
param(instance)%time = config_phase(p)%getFloats('externalheat_time')
param(instance)%nIntervals = size(param(instance)%time) - 1
param(instance)%heat_rate = config_phase(p)%getFloats('externalheat_rate',requiredSize = size(param(instance)%time))
call material_allocateSourceState(p,sourceOffset,NofMyPhase,1,1,0)
end associate
enddo
end subroutine source_thermal_externalheat_init
@ -90,51 +87,54 @@ end subroutine source_thermal_externalheat_init
!> @details state only contains current time to linearly interpolate given heat powers
!--------------------------------------------------------------------------------------------------
subroutine source_thermal_externalheat_dotState(phase, of)
integer, intent(in) :: &
phase, &
of
integer :: &
sourceOffset
sourceOffset = source_thermal_externalheat_offset(phase)
sourceState(phase)%p(sourceOffset)%dotState(1,of) = 1.0_pReal ! state is current time
end subroutine source_thermal_externalheat_dotState
!--------------------------------------------------------------------------------------------------
!> @brief returns local heat generation rate
!> @brief returns local heat generation rate
!--------------------------------------------------------------------------------------------------
subroutine source_thermal_externalheat_getRateAndItsTangent(TDot, dTDot_dT, phase, of)
integer, intent(in) :: &
phase, &
of
real(pReal), intent(out) :: &
TDot, &
dTDot_dT
integer :: &
instance, sourceOffset, interval
sourceOffset, interval
real(pReal) :: &
frac_time
instance = source_thermal_externalheat_instance(phase)
frac_time
sourceOffset = source_thermal_externalheat_offset(phase)
do interval = 1, param(instance)%nIntervals ! scan through all rate segments
frac_time = (sourceState(phase)%p(sourceOffset)%state(1,of) - param(instance)%time(interval)) &
/ (param(instance)%time(interval+1) - param(instance)%time(interval)) ! fractional time within segment
associate(prm => param(source_thermal_externalheat_instance(phase)))
do interval = 1, prm%nIntervals ! scan through all rate segments
frac_time = (sourceState(phase)%p(sourceOffset)%state(1,of) - prm%time(interval)) &
/ (prm%time(interval+1) - prm%time(interval)) ! fractional time within segment
if ( (frac_time < 0.0_pReal .and. interval == 1) &
.or. (frac_time >= 1.0_pReal .and. interval == param(instance)%nIntervals) &
.or. (frac_time >= 1.0_pReal .and. interval == prm%nIntervals) &
.or. (frac_time >= 0.0_pReal .and. frac_time < 1.0_pReal) ) &
TDot = param(instance)%heat_rate(interval ) * (1.0_pReal - frac_time) + &
param(instance)%heat_rate(interval+1) * frac_time ! interpolate heat rate between segment boundaries...
TDot = prm%heat_rate(interval ) * (1.0_pReal - frac_time) + &
prm%heat_rate(interval+1) * frac_time ! interpolate heat rate between segment boundaries...
! ...or extrapolate if outside of bounds
enddo
dTDot_dT = 0.0
end associate
end subroutine source_thermal_externalheat_getRateAndItsTangent
end module source_thermal_externalheat

111
src/thermal_conduction.f90
View File

@ -11,7 +11,7 @@ module thermal_conduction
use crystallite
use source_thermal_dissipation
use source_thermal_externalheat
implicit none
private
@ -19,14 +19,14 @@ module thermal_conduction
character(len=pStringLen), allocatable, dimension(:) :: &
output
end type tParameters
type(tparameters), dimension(:), allocatable :: &
param
param
public :: &
thermal_conduction_init, &
thermal_conduction_getSourceAndItsTangent, &
thermal_conduction_getConductivity33, &
thermal_conduction_getConductivity, &
thermal_conduction_getSpecificHeat, &
thermal_conduction_getMassDensity, &
thermal_conduction_putTemperatureAndItsRate, &
@ -41,37 +41,34 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine thermal_conduction_init
integer :: maxNinstance,NofMyHomog,h
integer :: Ninstance,NofMyHomog,h
write(6,'(/,a)') ' <<<+- thermal_'//THERMAL_CONDUCTION_label//' init -+>>>'; flush(6)
maxNinstance = count(thermal_type == THERMAL_conduction_ID)
if (maxNinstance == 0) return
allocate(param(maxNinstance))
do h = 1, size(thermal_type)
Ninstance = count(thermal_type == THERMAL_conduction_ID)
allocate(param(Ninstance))
do h = 1, size(config_homogenization)
if (thermal_type(h) /= THERMAL_conduction_ID) cycle
associate(prm => param(thermal_typeInstance(h)),config => config_homogenization(h))
prm%output = config%getStrings('(output)',defaultVal=emptyStringArray)
NofMyHomog=count(material_homogenizationAt==h)
thermalState(h)%sizeState = 0
allocate(thermalState(h)%state0 (0,NofMyHomog))
allocate(thermalState(h)%subState0(0,NofMyHomog))
allocate(thermalState(h)%state (0,NofMyHomog))
thermalMapping(h)%p => material_homogenizationMemberAt
deallocate(temperature (h)%p)
allocate (temperature (h)%p(NofMyHomog), source=thermal_initialT(h))
deallocate(temperatureRate(h)%p)
allocate (temperatureRate(h)%p(NofMyHomog), source=0.0_pReal)
end associate
enddo
end subroutine thermal_conduction_init
@ -79,7 +76,7 @@ end subroutine thermal_conduction_init
!> @brief returns heat generation rate
!--------------------------------------------------------------------------------------------------
subroutine thermal_conduction_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el)
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
@ -97,74 +94,74 @@ subroutine thermal_conduction_getSourceAndItsTangent(Tdot, dTdot_dT, T, ip, el)
grain, &
source, &
constituent
homog = material_homogenizationAt(el)
offset = material_homogenizationMemberAt(ip,el)
instance = thermal_typeInstance(homog)
Tdot = 0.0_pReal
dTdot_dT = 0.0_pReal
do grain = 1, homogenization_Ngrains(homog)
phase = material_phaseAt(grain,el)
constituent = material_phasememberAt(grain,ip,el)
do source = 1, phase_Nsources(phase)
select case(phase_source(source,phase))
select case(phase_source(source,phase))
case (SOURCE_thermal_dissipation_ID)
call source_thermal_dissipation_getRateAndItsTangent(my_Tdot, my_dTdot_dT, &
crystallite_S(1:3,1:3,grain,ip,el), &
crystallite_Lp(1:3,1:3,grain,ip,el), &
phase)
case (SOURCE_thermal_externalheat_ID)
call source_thermal_externalheat_getRateAndItsTangent(my_Tdot, my_dTdot_dT, &
phase, constituent)
case default
my_Tdot = 0.0_pReal
my_dTdot_dT = 0.0_pReal
end select
Tdot = Tdot + my_Tdot
dTdot_dT = dTdot_dT + my_dTdot_dT
enddo
enddo
enddo
Tdot = Tdot/real(homogenization_Ngrains(homog),pReal)
dTdot_dT = dTdot_dT/real(homogenization_Ngrains(homog),pReal)
end subroutine thermal_conduction_getSourceAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief returns homogenized thermal conductivity in reference configuration
!--------------------------------------------------------------------------------------------------
function thermal_conduction_getConductivity33(ip,el)
function thermal_conduction_getConductivity(ip,el)
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
real(pReal), dimension(3,3) :: &
thermal_conduction_getConductivity33
thermal_conduction_getConductivity
integer :: &
grain
thermal_conduction_getConductivity33 = 0.0_pReal
thermal_conduction_getConductivity = 0.0_pReal
do grain = 1, homogenization_Ngrains(material_homogenizationAt(el))
thermal_conduction_getConductivity33 = thermal_conduction_getConductivity33 + &
crystallite_push33ToRef(grain,ip,el,lattice_thermalConductivity33(:,:,material_phaseAt(grain,el)))
thermal_conduction_getConductivity = thermal_conduction_getConductivity + &
crystallite_push33ToRef(grain,ip,el,lattice_thermalConductivity(:,:,material_phaseAt(grain,el)))
enddo
thermal_conduction_getConductivity33 = thermal_conduction_getConductivity33 &
/ real(homogenization_Ngrains(material_homogenizationAt(el)),pReal)
end function thermal_conduction_getConductivity33
thermal_conduction_getConductivity = thermal_conduction_getConductivity &
/ real(homogenization_Ngrains(material_homogenizationAt(el)),pReal)
end function thermal_conduction_getConductivity
!--------------------------------------------------------------------------------------------------
!> @brief returns homogenized specific heat capacity
!--------------------------------------------------------------------------------------------------
function thermal_conduction_getSpecificHeat(ip,el)
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
@ -172,17 +169,17 @@ function thermal_conduction_getSpecificHeat(ip,el)
thermal_conduction_getSpecificHeat
integer :: &
grain
thermal_conduction_getSpecificHeat = 0.0_pReal
do grain = 1, homogenization_Ngrains(material_homogenizationAt(el))
thermal_conduction_getSpecificHeat = thermal_conduction_getSpecificHeat &
+ lattice_specificHeat(material_phaseAt(grain,el))
enddo
thermal_conduction_getSpecificHeat = thermal_conduction_getSpecificHeat &
/ real(homogenization_Ngrains(material_homogenizationAt(el)),pReal)
end function thermal_conduction_getSpecificHeat
@ -198,18 +195,18 @@ function thermal_conduction_getMassDensity(ip,el)
thermal_conduction_getMassDensity
integer :: &
grain
thermal_conduction_getMassDensity = 0.0_pReal
do grain = 1, homogenization_Ngrains(material_homogenizationAt(el))
thermal_conduction_getMassDensity = thermal_conduction_getMassDensity &
+ lattice_massDensity(material_phaseAt(grain,el))
enddo
thermal_conduction_getMassDensity = thermal_conduction_getMassDensity &
/ real(homogenization_Ngrains(material_homogenizationAt(el)),pReal)
end function thermal_conduction_getMassDensity
@ -226,15 +223,15 @@ subroutine thermal_conduction_putTemperatureAndItsRate(T,Tdot,ip,el)
Tdot
integer :: &
homog, &
offset
offset
homog = material_homogenizationAt(el)
offset = thermalMapping(homog)%p(ip,el)
temperature (homog)%p(offset) = T
temperatureRate(homog)%p(offset) = Tdot
end subroutine thermal_conduction_putTemperatureAndItsRate
!--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file
@ -245,7 +242,7 @@ subroutine thermal_conduction_results(homog,group)
character(len=*), intent(in) :: group
integer :: o
associate(prm => param(damage_typeInstance(homog)))
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))

5
src/thermal_isothermal.f90
View File

@ -7,11 +7,8 @@ module thermal_isothermal
use material
implicit none
private
public
public :: &
thermal_isothermal_init
contains
!--------------------------------------------------------------------------------------------------