Merge remote-tracking branch 'origin/development' into 56-parallel-hdf5
This commit is contained in:
Martin Diehl
commit
8f26fc9358
|
|
@ -79,6 +79,7 @@ variables:
|
|||
Abaqus: "$Abaqus2017"
|
||||
MSC: "$MSC2018_1"
|
||||
IntelMarc: "$IntelCompiler17_0"
|
||||
IntelAbaqus: "$IntelCompiler16_4"
|
||||
# ++++++++++++ Documentation +++++++++++++++++++++++++++++++++++++++++
|
||||
Doxygen1_8_13: "Documentation/Doxygen/1.8.13"
|
||||
# ------------ Defaults ----------------------------------------------
|
||||
|
|
@ -150,6 +151,13 @@ Spectral_geometryPacking:
|
|||
- release
|
||||
|
||||
###################################################################################################
|
||||
Post_AverageDown:
|
||||
stage: postprocessing
|
||||
script: averageDown/test.py
|
||||
except:
|
||||
- master
|
||||
- release
|
||||
|
||||
Post_General:
|
||||
stage: postprocessing
|
||||
script: PostProcessing/test.py
|
||||
|
|
@ -192,6 +200,13 @@ Post_ParaviewRelated:
|
|||
- master
|
||||
- release
|
||||
|
||||
Post_OrientationConversion:
|
||||
stage: postprocessing
|
||||
script: OrientationConversion/test.py
|
||||
except:
|
||||
- master
|
||||
- release
|
||||
|
||||
###################################################################################################
|
||||
Compile_Spectral_Intel:
|
||||
stage: compilePETScIntel
|
||||
|
|
@ -242,6 +257,13 @@ Compile_Intel_Prepare:
|
|||
- release
|
||||
|
||||
###################################################################################################
|
||||
Thermal:
|
||||
stage: spectral
|
||||
script: Thermal/test.py
|
||||
except:
|
||||
- master
|
||||
- release
|
||||
|
||||
Spectral_PackedGeometry:
|
||||
stage: spectral
|
||||
script: Spectral_PackedGeometry/test.py
|
||||
|
|
@ -351,13 +373,6 @@ Phenopowerlaw_singleSlip:
|
|||
- master
|
||||
- release
|
||||
|
||||
HybridIA:
|
||||
stage: spectral
|
||||
script: HybridIA/test.py
|
||||
except:
|
||||
- master
|
||||
- release
|
||||
|
||||
TextureComponents:
|
||||
stage: spectral
|
||||
script: TextureComponents/test.py
|
||||
|
|
@ -431,14 +446,6 @@ SpectralExample:
|
|||
only:
|
||||
- development
|
||||
|
||||
AbaqusExample:
|
||||
stage: example
|
||||
script:
|
||||
- module load $IntelCompiler16_4 $Abaqus
|
||||
- Abaqus_example/test.py
|
||||
only:
|
||||
- development
|
||||
|
||||
###################################################################################################
|
||||
SpectralRuntime:
|
||||
stage: performance
|
||||
|
|
|
|||
|
|
@ -47,7 +47,7 @@ linker:
|
|||
|
||||
# CMake will execute each target in the ${petsc_config_makefile}
|
||||
# to acquire corresponding PETSc Variables.
|
||||
find_program (MAKE_EXECUTABLE NAMES make gmake)
|
||||
find_program (MAKE_EXECUTABLE NAMES gmake make)
|
||||
# Find the PETSc includes directory settings
|
||||
execute_process (COMMAND ${MAKE_EXECUTABLE} --no-print-directory -f ${petsc_config_makefile} "includes"
|
||||
RESULT_VARIABLE PETSC_INCLUDES_RETURN
|
||||
|
|
@ -280,7 +280,7 @@ if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel")
|
|||
# ... for uninitialized variables.
|
||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -ftrapuv")
|
||||
# ... initializes stack local variables to an unusual value to aid error detection
|
||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all0")
|
||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all=0")
|
||||
# ... capture all floating-point exceptions, sets -ftz automatically
|
||||
|
||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -warn")
|
||||
|
|
|
|||
2
CONFIG
2
CONFIG
|
|
@ -8,6 +8,6 @@ set DAMASK_NUM_THREADS = 4
|
|||
set MSC_ROOT = /opt/msc
|
||||
set MARC_VERSION = 2018.1
|
||||
|
||||
set ABAQUS_VERSION = 2018.1
|
||||
set ABAQUS_VERSION = 2017
|
||||
|
||||
set DAMASK_HDF5 = OFF
|
||||
|
|
|
|||
2
PRIVATE
2
PRIVATE
|
|
@ -1 +1 @@
|
|||
Subproject commit d3bc62220544da0a3198c521e0f73fa07898d357
|
||||
Subproject commit e9f93abaecafbfbf11072ae70bca213a7201ed38
|
||||
|
|
@ -44,7 +44,6 @@ if ( $?prompt ) then
|
|||
echo "DAMASK $DAMASK_ROOT"
|
||||
echo "Spectral Solver $SOLVER"
|
||||
echo "Post Processing $PROCESSING"
|
||||
echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
|
||||
if ( $?PETSC_DIR) then
|
||||
echo "PETSc location $PETSC_DIR"
|
||||
endif
|
||||
|
|
@ -52,8 +51,10 @@ if ( $?prompt ) then
|
|||
echo "MSC.Marc/Mentat $MSC_ROOT"
|
||||
endif
|
||||
echo
|
||||
echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
|
||||
echo `limit datasize`
|
||||
echo `limit stacksize`
|
||||
echo
|
||||
endif
|
||||
|
||||
setenv DAMASK_NUM_THREADS $DAMASK_NUM_THREADS
|
||||
|
|
|
|||
|
|
@ -88,6 +88,7 @@ if [ ! -z "$PS1" ]; then
|
|||
size=$(( 1024*$(ulimit -s) )); \
|
||||
print('{:.4g} {}'.format(size / (1 << ((int(math.log(size,2) / 10) if size else 0) * 10)), \
|
||||
['bytes','KiB','MiB','GiB','TiB','EiB','ZiB'][int(math.log(size,2) / 10) if size else 0]))")
|
||||
echo
|
||||
fi
|
||||
|
||||
export DAMASK_NUM_THREADS
|
||||
|
|
|
|||
|
|
@ -81,6 +81,7 @@ if [ ! -z "$PS1" ]; then
|
|||
size=$(( 1024*$(ulimit -s) )); \
|
||||
print('{:.4g} {}'.format(size / (1 << ((int(math.log(size,2) / 10) if size else 0) * 10)), \
|
||||
['bytes','KiB','MiB','GiB','TiB','EiB','ZiB'][int(math.log(size,2) / 10) if size else 0]))")
|
||||
echo
|
||||
fi
|
||||
|
||||
export DAMASK_NUM_THREADS
|
||||
|
|
|
|||
File diff suppressed because it is too large
Load Diff
Binary file not shown.
|
|
@ -1,23 +0,0 @@
|
|||
# Save by m.diehl on 2017_12_06-18.38.26; build 2017 2016_09_27-23.54.59 126836
|
||||
from abaqus import *
|
||||
upgradeMdb(
|
||||
'/nethome/storage/raid4/m.diehl/DAMASK/examples/AbaqusStandard/SX_PX_compression-6.9-1.cae'
|
||||
,
|
||||
'/nethome/storage/raid4/m.diehl/DAMASK/examples/AbaqusStandard/SX_PX_compression.cae')
|
||||
# Save by m.diehl on 2017_12_06-18.38.26; build 2017 2016_09_27-23.54.59 126836
|
||||
from part import *
|
||||
from material import *
|
||||
from section import *
|
||||
from assembly import *
|
||||
from step import *
|
||||
from interaction import *
|
||||
from load import *
|
||||
from mesh import *
|
||||
from optimization import *
|
||||
from job import *
|
||||
from sketch import *
|
||||
from visualization import *
|
||||
from connectorBehavior import *
|
||||
mdb.jobs['Job_sx-px'].setValues(description='compression', userSubroutine=
|
||||
'$HOME/DAMASK/src/DAMASK_abaqus_std.f')
|
||||
# Save by m.diehl on 2017_12_06-18.39.44; build 2017 2016_09_27-23.54.59 126836
|
||||
|
|
@ -1,93 +0,0 @@
|
|||
#-------------------#
|
||||
<homogenization>
|
||||
#-------------------#
|
||||
|
||||
[dummy]
|
||||
mech none
|
||||
|
||||
[poly]
|
||||
mech isostrain
|
||||
Nconstituents 10
|
||||
|
||||
|
||||
|
||||
#-------------------#
|
||||
<microstructure>
|
||||
#-------------------#
|
||||
|
||||
|
||||
[Aluminum_001]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 1 fraction 1.0
|
||||
|
||||
[Aluminum_10]
|
||||
crystallite 1
|
||||
(constituent) phase 1 texture 2 fraction 1.0
|
||||
|
||||
#-------------------#
|
||||
<crystallite>
|
||||
#-------------------#
|
||||
|
||||
[orientation]
|
||||
(output) eulerangles
|
||||
(output) grainrotation # deviation from initial orientation as axis (1-3) and angle in degree (4)
|
||||
|
||||
#-------------------#
|
||||
<phase>
|
||||
#-------------------#
|
||||
|
||||
|
||||
[Aluminum_phenopowerlaw]
|
||||
# slip only
|
||||
elasticity hooke
|
||||
plasticity phenopowerlaw
|
||||
|
||||
(output) resistance_slip
|
||||
(output) shearrate_slip
|
||||
(output) resolvedstress_slip
|
||||
(output) totalshear
|
||||
(output) resistance_twin
|
||||
(output) shearrate_twin
|
||||
(output) resolvedstress_twin
|
||||
(output) totalvolfrac
|
||||
|
||||
lattice_structure fcc
|
||||
Nslip 12
|
||||
Ntwin 0
|
||||
|
||||
c11 106.75e9
|
||||
c12 60.41e9
|
||||
c44 28.34e9
|
||||
|
||||
gdot0_slip 0.001
|
||||
n_slip 20
|
||||
tau0_slip 31e6 # per family
|
||||
tausat_slip 63e6 # per family
|
||||
a_slip 2.25
|
||||
gdot0_twin 0.001
|
||||
n_twin 20
|
||||
tau0_twin 31e6 # per family
|
||||
s_pr 0 # push-up factor for slip saturation due to twinning
|
||||
twin_b 0
|
||||
twin_c 0
|
||||
twin_d 0
|
||||
twin_e 0
|
||||
h0_slipslip 75e6
|
||||
h0_sliptwin 0
|
||||
h0_twinslip 0
|
||||
h0_twintwin 0
|
||||
interaction_slipslip 1 1 1.4 1.4 1.4 1.4
|
||||
interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
||||
atol_resistance 1
|
||||
|
||||
|
||||
#-------------------#
|
||||
<texture>
|
||||
#-------------------#
|
||||
|
||||
[001]
|
||||
(gauss) phi1 0.000 Phi 45.000 phi2 0.000 scatter 0.000 fraction 1.000
|
||||
|
||||
[random]
|
||||
|
|
@ -1 +0,0 @@
|
|||
fixed_seed 1697667030
|
||||
|
|
@ -27,15 +27,22 @@ class Rodrigues:
|
|||
|
||||
# ******************************************************************************************
|
||||
class Quaternion:
|
||||
"""
|
||||
u"""
|
||||
Orientation represented as unit quaternion.
|
||||
|
||||
All methods and naming conventions based on http://www.euclideanspace.com/maths/algebra/realNormedAlgebra/quaternions.
|
||||
All methods and naming conventions based on Rowenhorst_etal2015
|
||||
Convention 1: coordinate frames are right-handed
|
||||
Convention 2: a rotation angle ω is taken to be positive for a counterclockwise rotation
|
||||
when viewing from the end point of the rotation axis unit vector towards the origin
|
||||
Convention 3: rotations will be interpreted in the passive sense
|
||||
Convention 4: Euler angle triplets are implemented using the Bunge convention,
|
||||
with the angular ranges as [0, 2π],[0, π],[0, 2π]
|
||||
Convention 5: the rotation angle ω is limited to the interval [0, π]
|
||||
|
||||
w is the real part, (x, y, z) are the imaginary parts.
|
||||
Representation of rotation is in ACTIVE form!
|
||||
(Derived directly or through angleAxis, Euler angles, or active matrix)
|
||||
Vector "a" (defined in coordinate system "A") is actively rotated to new coordinates "b".
|
||||
|
||||
Vector "a" (defined in coordinate system "A") is passively rotated
|
||||
resulting in new coordinates "b" when expressed in system "B".
|
||||
b = Q * a
|
||||
b = np.dot(Q.asMatrix(),a)
|
||||
"""
|
||||
|
|
@ -309,10 +316,12 @@ class Quaternion:
|
|||
return np.outer([i for i in self],[i for i in self])
|
||||
|
||||
def asMatrix(self):
|
||||
return np.array(
|
||||
[[1.0-2.0*(self.y*self.y+self.z*self.z), 2.0*(self.x*self.y-self.z*self.w), 2.0*(self.x*self.z+self.y*self.w)],
|
||||
[ 2.0*(self.x*self.y+self.z*self.w), 1.0-2.0*(self.x*self.x+self.z*self.z), 2.0*(self.y*self.z-self.x*self.w)],
|
||||
[ 2.0*(self.x*self.z-self.y*self.w), 2.0*(self.x*self.w+self.y*self.z), 1.0-2.0*(self.x*self.x+self.y*self.y)]])
|
||||
qbarhalf = 0.5*(self.w**2 - self.x**2 - self.y**2 - self.z**2)
|
||||
return 2.0*np.array(
|
||||
[[ qbarhalf + self.x**2 , self.x*self.y - self.w*self.z, self.x*self.z + self.w*self.y],
|
||||
[ self.x*self.y + self.w*self.z, qbarhalf + self.y**2 , self.y*self.z - self.w*self.x],
|
||||
[ self.x*self.z - self.w*self.y, self.y*self.z + self.w*self.x, qbarhalf + self.z**2 ],
|
||||
])
|
||||
|
||||
def asAngleAxis(self,
|
||||
degrees = False):
|
||||
|
|
@ -335,52 +344,23 @@ class Quaternion:
|
|||
return np.inf*np.ones(3) if self.w == 0.0 else np.array([self.x, self.y, self.z])/self.w
|
||||
|
||||
def asEulers(self,
|
||||
type = "bunge",
|
||||
degrees = False,
|
||||
standardRange = False):
|
||||
"""
|
||||
Orientation as Bunge-Euler angles.
|
||||
degrees = False):
|
||||
"""Orientation as Bunge-Euler angles."""
|
||||
q03 = self.w**2+self.z**2
|
||||
q12 = self.x**2+self.y**2
|
||||
chi = np.sqrt(q03*q12)
|
||||
|
||||
Conversion of ACTIVE rotation to Euler angles taken from:
|
||||
Melcher, A.; Unser, A.; Reichhardt, M.; Nestler, B.; Poetschke, M.; Selzer, M.
|
||||
Conversion of EBSD data by a quaternion based algorithm to be used for grain structure simulations
|
||||
Technische Mechanik 30 (2010) pp 401--413.
|
||||
"""
|
||||
angles = [0.0,0.0,0.0]
|
||||
|
||||
if type.lower() == 'bunge' or type.lower() == 'zxz':
|
||||
if abs(self.x) < 1e-4 and abs(self.y) < 1e-4:
|
||||
x = self.w**2 - self.z**2
|
||||
y = 2.*self.w*self.z
|
||||
angles[0] = math.atan2(y,x)
|
||||
elif abs(self.w) < 1e-4 and abs(self.z) < 1e-4:
|
||||
x = self.x**2 - self.y**2
|
||||
y = 2.*self.x*self.y
|
||||
angles[0] = math.atan2(y,x)
|
||||
angles[1] = math.pi
|
||||
if abs(chi) < 1e-10 and abs(q12) < 1e-10:
|
||||
eulers = np.array([math.atan2(-2*self.w*self.z,self.w**2-self.z**2),0,0])
|
||||
elif abs(chi) < 1e-10 and abs(q03) < 1e-10:
|
||||
eulers = np.array([math.atan2( 2*self.x*self.y,self.x**2-self.y**2),np.pi,0])
|
||||
else:
|
||||
chi = math.sqrt((self.w**2 + self.z**2)*(self.x**2 + self.y**2))
|
||||
eulers = np.array([math.atan2((self.x*self.z-self.w*self.y)/chi,(-self.w*self.x-self.y*self.z)/chi),
|
||||
math.atan2(2*chi,q03-q12),
|
||||
math.atan2((self.w*self.y+self.x*self.z)/chi,( self.y*self.z-self.w*self.x)/chi),
|
||||
])
|
||||
|
||||
x = (self.w * self.x - self.y * self.z)/2./chi
|
||||
y = (self.w * self.y + self.x * self.z)/2./chi
|
||||
angles[0] = math.atan2(y,x)
|
||||
|
||||
x = self.w**2 + self.z**2 - (self.x**2 + self.y**2)
|
||||
y = 2.*chi
|
||||
angles[1] = math.atan2(y,x)
|
||||
|
||||
x = (self.w * self.x + self.y * self.z)/2./chi
|
||||
y = (self.z * self.x - self.y * self.w)/2./chi
|
||||
angles[2] = math.atan2(y,x)
|
||||
|
||||
if standardRange:
|
||||
angles[0] %= 2*math.pi
|
||||
if angles[1] < 0.0:
|
||||
angles[1] += math.pi
|
||||
angles[2] *= -1.0
|
||||
angles[2] %= 2*math.pi
|
||||
|
||||
return np.degrees(angles) if degrees else angles
|
||||
return np.degrees(eulers) if degrees else eulers
|
||||
|
||||
|
||||
# # Static constructors
|
||||
|
|
@ -408,7 +388,7 @@ class Quaternion:
|
|||
halfangle = math.atan(np.linalg.norm(rodrigues))
|
||||
c = math.cos(halfangle)
|
||||
w = c
|
||||
x,y,z = c*rodrigues
|
||||
x,y,z = rodrigues/c
|
||||
return cls([w,x,y,z])
|
||||
|
||||
|
||||
|
|
@ -431,24 +411,19 @@ class Quaternion:
|
|||
@classmethod
|
||||
def fromEulers(cls,
|
||||
eulers,
|
||||
type = 'Bunge',
|
||||
degrees = False):
|
||||
if not isinstance(eulers, np.ndarray): eulers = np.array(eulers,dtype='d')
|
||||
eulers = np.radians(eulers) if degrees else eulers
|
||||
|
||||
c = np.cos(0.5 * eulers)
|
||||
s = np.sin(0.5 * eulers)
|
||||
sigma = 0.5*(eulers[0]+eulers[2])
|
||||
delta = 0.5*(eulers[0]-eulers[2])
|
||||
c = np.cos(0.5*eulers[1])
|
||||
s = np.sin(0.5*eulers[1])
|
||||
|
||||
if type.lower() == 'bunge' or type.lower() == 'zxz':
|
||||
w = c[0] * c[1] * c[2] - s[0] * c[1] * s[2]
|
||||
x = c[0] * s[1] * c[2] + s[0] * s[1] * s[2]
|
||||
y = - c[0] * s[1] * s[2] + s[0] * s[1] * c[2]
|
||||
z = c[0] * c[1] * s[2] + s[0] * c[1] * c[2]
|
||||
else:
|
||||
w = c[0] * c[1] * c[2] - s[0] * s[1] * s[2]
|
||||
x = s[0] * s[1] * c[2] + c[0] * c[1] * s[2]
|
||||
y = s[0] * c[1] * c[2] + c[0] * s[1] * s[2]
|
||||
z = c[0] * s[1] * c[2] - s[0] * c[1] * s[2]
|
||||
w = c * np.cos(sigma)
|
||||
x = -s * np.cos(delta)
|
||||
y = -s * np.sin(delta)
|
||||
z = -c * np.sin(sigma)
|
||||
return cls([w,x,y,z])
|
||||
|
||||
|
||||
|
|
@ -460,49 +435,16 @@ class Quaternion:
|
|||
if m.shape != (3,3) and np.prod(m.shape) == 9:
|
||||
m = m.reshape(3,3)
|
||||
|
||||
tr = np.trace(m)
|
||||
if tr > 1e-8:
|
||||
s = math.sqrt(tr + 1.0)*2.0
|
||||
w = 0.5*math.sqrt(1.+m[0,0]+m[1,1]+m[2,2])
|
||||
x = 0.5*math.sqrt(1.+m[0,0]-m[1,1]-m[2,2])
|
||||
y = 0.5*math.sqrt(1.-m[0,0]+m[1,1]-m[2,2])
|
||||
z = 0.5*math.sqrt(1.-m[0,0]-m[1,1]+m[2,2])
|
||||
|
||||
return cls(
|
||||
[ s*0.25,
|
||||
(m[2,1] - m[1,2])/s,
|
||||
(m[0,2] - m[2,0])/s,
|
||||
(m[1,0] - m[0,1])/s,
|
||||
])
|
||||
x *= -1 if m[2,1] < m[1,2] else 1
|
||||
y *= -1 if m[0,2] < m[2,0] else 1
|
||||
z *= -1 if m[1,0] < m[0,1] else 1
|
||||
|
||||
elif m[0,0] > m[1,1] and m[0,0] > m[2,2]:
|
||||
t = m[0,0] - m[1,1] - m[2,2] + 1.0
|
||||
s = 2.0*math.sqrt(t)
|
||||
|
||||
return cls(
|
||||
[ (m[2,1] - m[1,2])/s,
|
||||
s*0.25,
|
||||
(m[0,1] + m[1,0])/s,
|
||||
(m[2,0] + m[0,2])/s,
|
||||
])
|
||||
|
||||
elif m[1,1] > m[2,2]:
|
||||
t = -m[0,0] + m[1,1] - m[2,2] + 1.0
|
||||
s = 2.0*math.sqrt(t)
|
||||
|
||||
return cls(
|
||||
[ (m[0,2] - m[2,0])/s,
|
||||
(m[0,1] + m[1,0])/s,
|
||||
s*0.25,
|
||||
(m[1,2] + m[2,1])/s,
|
||||
])
|
||||
|
||||
else:
|
||||
t = -m[0,0] - m[1,1] + m[2,2] + 1.0
|
||||
s = 2.0*math.sqrt(t)
|
||||
|
||||
return cls(
|
||||
[ (m[1,0] - m[0,1])/s,
|
||||
(m[2,0] + m[0,2])/s,
|
||||
(m[1,2] + m[2,1])/s,
|
||||
s*0.25,
|
||||
])
|
||||
return cls( np.array([w,x,y,z])/math.sqrt(w**2 + x**2 + y**2 + z**2))
|
||||
|
||||
|
||||
@classmethod
|
||||
|
|
@ -663,7 +605,7 @@ class Symmetry:
|
|||
quaternion,
|
||||
who = []):
|
||||
"""List of symmetrically equivalent quaternions based on own symmetry."""
|
||||
return [quaternion*q for q in self.symmetryQuats(who)]
|
||||
return [q*quaternion for q in self.symmetryQuats(who)]
|
||||
|
||||
|
||||
def inFZ(self,R):
|
||||
|
|
@ -829,7 +771,7 @@ class Orientation:
|
|||
else:
|
||||
self.quaternion = Quaternion.fromRandom(randomSeed=random)
|
||||
elif isinstance(Eulers, np.ndarray) and Eulers.shape == (3,): # based on given Euler angles
|
||||
self.quaternion = Quaternion.fromEulers(Eulers,type='bunge',degrees=degrees)
|
||||
self.quaternion = Quaternion.fromEulers(Eulers,degrees=degrees)
|
||||
elif isinstance(matrix, np.ndarray) : # based on given rotation matrix
|
||||
self.quaternion = Quaternion.fromMatrix(matrix)
|
||||
elif isinstance(angleAxis, np.ndarray) and angleAxis.shape == (4,): # based on given angle and rotation axis
|
||||
|
|
@ -855,16 +797,15 @@ class Orientation:
|
|||
return 'Symmetry: %s\n' % (self.symmetry) + \
|
||||
'Quaternion: %s\n' % (self.quaternion) + \
|
||||
'Matrix:\n%s\n' % ( '\n'.join(['\t'.join(map(str,self.asMatrix()[i,:])) for i in range(3)]) ) + \
|
||||
'Bunge Eulers / deg: %s' % ('\t'.join(map(str,self.asEulers('bunge',degrees=True))) )
|
||||
'Bunge Eulers / deg: %s' % ('\t'.join(map(str,self.asEulers(degrees=True))) )
|
||||
|
||||
def asQuaternion(self):
|
||||
return self.quaternion.asList()
|
||||
|
||||
def asEulers(self,
|
||||
type = 'bunge',
|
||||
degrees = False,
|
||||
standardRange = False):
|
||||
return self.quaternion.asEulers(type, degrees, standardRange)
|
||||
):
|
||||
return self.quaternion.asEulers(degrees)
|
||||
eulers = property(asEulers)
|
||||
|
||||
def asRodrigues(self):
|
||||
|
|
@ -912,13 +853,13 @@ class Orientation:
|
|||
"""
|
||||
if self.symmetry != other.symmetry: raise TypeError('disorientation between different symmetry classes not supported yet.')
|
||||
|
||||
misQ = self.quaternion.conjugated()*other.quaternion
|
||||
misQ = other.quaternion*self.quaternion.conjugated()
|
||||
mySymQs = self.symmetry.symmetryQuats() if SST else self.symmetry.symmetryQuats()[:1] # take all or only first sym operation
|
||||
otherSymQs = other.symmetry.symmetryQuats()
|
||||
|
||||
for i,sA in enumerate(mySymQs):
|
||||
for j,sB in enumerate(otherSymQs):
|
||||
theQ = sA.conjugated()*misQ*sB
|
||||
theQ = sB*misQ*sA.conjugated()
|
||||
for k in range(2):
|
||||
theQ.conjugate()
|
||||
breaker = self.symmetry.inFZ(theQ) \
|
||||
|
|
@ -929,7 +870,7 @@ class Orientation:
|
|||
|
||||
# disorientation, own sym, other sym, self-->other: True, self<--other: False
|
||||
return (Orientation(quaternion = theQ,symmetry = self.symmetry.lattice),
|
||||
i,j,k == 1)
|
||||
i,j, k == 1)
|
||||
|
||||
|
||||
def inversePole(self,
|
||||
|
|
@ -939,10 +880,10 @@ class Orientation:
|
|||
"""Axis rotated according to orientation (using crystal symmetry to ensure location falls into SST)"""
|
||||
if SST: # pole requested to be within SST
|
||||
for i,q in enumerate(self.symmetry.equivalentQuaternions(self.quaternion)): # test all symmetric equivalent quaternions
|
||||
pole = q.conjugated()*axis # align crystal direction to axis
|
||||
pole = q*axis # align crystal direction to axis
|
||||
if self.symmetry.inSST(pole,proper): break # found SST version
|
||||
else:
|
||||
pole = self.quaternion.conjugated()*axis # align crystal direction to axis
|
||||
pole = self.quaternion*axis # align crystal direction to axis
|
||||
|
||||
return (pole,i if SST else 0)
|
||||
|
||||
|
|
@ -951,7 +892,7 @@ class Orientation:
|
|||
color = np.zeros(3,'d')
|
||||
|
||||
for q in self.symmetry.equivalentQuaternions(self.quaternion):
|
||||
pole = q.conjugated()*axis # align crystal direction to axis
|
||||
pole = q*axis # align crystal direction to axis
|
||||
inSST,color = self.symmetry.inSST(pole,color=True)
|
||||
if inSST: break
|
||||
|
||||
|
|
|
|||
|
|
@ -1,4 +1,4 @@
|
|||
#!/usr/bin/env python3
|
||||
#!/usr/bin/env python2.7
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import os,sys,math
|
||||
|
|
|
|||
|
|
@ -169,7 +169,7 @@ for name in filenames:
|
|||
for output in options.output:
|
||||
if output == 'quaternion': table.data_append(o.asQuaternion())
|
||||
elif output == 'rodrigues': table.data_append(o.asRodrigues())
|
||||
elif output == 'eulers': table.data_append(o.asEulers('Bunge', degrees=options.degrees))
|
||||
elif output == 'eulers': table.data_append(o.asEulers(degrees=options.degrees))
|
||||
outputAlive = table.data_write() # output processed line
|
||||
|
||||
# ------------------------------------------ output finalization -----------------------------------
|
||||
|
|
|
|||
|
|
@ -190,27 +190,27 @@ if np.sum(input) != 1: parser.error('needs exactly one input format.')
|
|||
(options.quaternion,4,'quaternion'),
|
||||
][np.where(input)[0][0]] # select input label that was requested
|
||||
|
||||
c_direction = np.zeros((len(slipSystems[options.lattice]),3),'f')
|
||||
c_normal = np.zeros_like(c_direction)
|
||||
slip_direction = np.zeros((len(slipSystems[options.lattice]),3),'f')
|
||||
slip_normal = np.zeros_like(slip_direction)
|
||||
|
||||
|
||||
if options.lattice in latticeChoices[:2]:
|
||||
c_direction = slipSystems[options.lattice][:,:3]
|
||||
c_normal = slipSystems[options.lattice][:,3:]
|
||||
slip_direction = slipSystems[options.lattice][:,:3]
|
||||
slip_normal = slipSystems[options.lattice][:,3:]
|
||||
elif options.lattice == latticeChoices[2]:
|
||||
# convert 4 Miller index notation of hex to orthogonal 3 Miller index notation
|
||||
for i in range(len(c_direction)):
|
||||
c_direction[i] = np.array([slipSystems['hex'][i,0]*1.5,
|
||||
for i in range(len(slip_direction)):
|
||||
slip_direction[i] = np.array([slipSystems['hex'][i,0]*1.5,
|
||||
(slipSystems['hex'][i,0] + 2.*slipSystems['hex'][i,1])*0.5*np.sqrt(3),
|
||||
slipSystems['hex'][i,3]*options.CoverA,
|
||||
])
|
||||
c_normal[i] = np.array([slipSystems['hex'][i,4],
|
||||
slip_normal[i] = np.array([slipSystems['hex'][i,4],
|
||||
(slipSystems['hex'][i,4] + 2.*slipSystems['hex'][i,5])/np.sqrt(3),
|
||||
slipSystems['hex'][i,7]/options.CoverA,
|
||||
])
|
||||
|
||||
c_direction /= np.tile(np.linalg.norm(c_direction,axis=1),(3,1)).T
|
||||
c_normal /= np.tile(np.linalg.norm(c_normal ,axis=1),(3,1)).T
|
||||
slip_direction /= np.tile(np.linalg.norm(slip_direction,axis=1),(3,1)).T
|
||||
slip_normal /= np.tile(np.linalg.norm(slip_normal ,axis=1),(3,1)).T
|
||||
|
||||
# --- loop over input files ------------------------------------------------------------------------
|
||||
|
||||
|
|
@ -244,7 +244,7 @@ for name in filenames:
|
|||
.format( id = i+1,
|
||||
normal = theNormal,
|
||||
direction = theDirection,
|
||||
) for i,(theNormal,theDirection) in enumerate(zip(c_normal,c_direction))])
|
||||
) for i,(theNormal,theDirection) in enumerate(zip(slip_normal,slip_direction))])
|
||||
table.head_write()
|
||||
|
||||
# ------------------------------------------ process data ------------------------------------------
|
||||
|
|
@ -262,9 +262,9 @@ for name in filenames:
|
|||
elif inputtype == 'quaternion':
|
||||
o = damask.Orientation(quaternion = np.array(list(map(float,table.data[column:column+4]))),)
|
||||
|
||||
rotForce = o.quaternion.conjugated() * force
|
||||
rotNormal = o.quaternion.conjugated() * normal
|
||||
table.data_append(np.abs(np.sum(c_direction*rotForce,axis=1) * np.sum(c_normal*rotNormal,axis=1)))
|
||||
|
||||
table.data_append( np.abs( np.sum(slip_direction * (o.quaternion * force) ,axis=1) \
|
||||
* np.sum(slip_normal * (o.quaternion * normal),axis=1)))
|
||||
outputAlive = table.data_write() # output processed line
|
||||
|
||||
# ------------------------------------------ output finalization -----------------------------------
|
||||
|
|
|
|||
|
|
@ -127,7 +127,7 @@ options.fraction = np.array(options.fraction)
|
|||
options.grid = np.array(options.grid)
|
||||
gridSize = options.grid.prod()
|
||||
|
||||
if options.randomSeed is None: options.randomSeed = int(os.urandom(4).encode('hex'), 16)
|
||||
if options.randomSeed is None: options.randomSeed = int(os.urandom(4).hex(), 16)
|
||||
np.random.seed(options.randomSeed) # init random generators
|
||||
random.seed(options.randomSeed)
|
||||
|
||||
|
|
|
|||
220
src/IO.f90
220
src/IO.f90
|
|
@ -33,7 +33,6 @@ module IO
|
|||
IO_write_jobIntFile, &
|
||||
IO_read_realFile, &
|
||||
IO_read_intFile, &
|
||||
IO_hybridIA, &
|
||||
IO_isBlank, &
|
||||
IO_getTag, &
|
||||
IO_stringPos, &
|
||||
|
|
@ -583,223 +582,6 @@ logical function IO_abaqus_hasNoPart(fileUnit)
|
|||
620 end function IO_abaqus_hasNoPart
|
||||
#endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief hybrid IA sampling of ODFfile
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function IO_hybridIA(Nast,ODFfileName)
|
||||
use prec, only: &
|
||||
tol_math_check
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: Nast !< number of samples?
|
||||
real(pReal), dimension(3,Nast) :: IO_hybridIA
|
||||
character(len=*), intent(in) :: ODFfileName !< name of ODF file including total path
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! math module is not available
|
||||
real(pReal), parameter :: PI = 3.141592653589793_pReal
|
||||
real(pReal), parameter :: INRAD = PI/180.0_pReal
|
||||
|
||||
integer(pInt) :: i,j,bin,NnonZero,Nset,Nreps,reps,phi1,Phi,phi2
|
||||
integer(pInt), allocatable, dimension(:) :: chunkPos
|
||||
integer(pInt), dimension(3) :: steps !< number of steps in phi1, Phi, and phi2 direction
|
||||
integer(pInt), dimension(4) :: columns !< columns in linearODF file where eulerangles and density are located
|
||||
integer(pInt), dimension(:), allocatable :: binSet
|
||||
real(pReal) :: center,sum_dV_V,prob,dg_0,C,lowerC,upperC,rnd
|
||||
real(pReal), dimension(2,3) :: limits !< starting and end values for eulerangles
|
||||
real(pReal), dimension(3) :: deltas, & !< angular step size in phi1, Phi, and phi2 direction
|
||||
eulers !< euler angles when reading from file
|
||||
real(pReal), dimension(:,:,:), allocatable :: dV_V
|
||||
character(len=65536) :: line, keyword
|
||||
integer(pInt) :: headerLength
|
||||
integer(pInt), parameter :: FILEUNIT = 999_pInt
|
||||
|
||||
IO_hybridIA = 0.0_pReal ! initialize return value for case of error
|
||||
write(6,'(/,a,/)',advance='no') ' Using linear ODF file: '//trim(ODFfileName)
|
||||
write(6,'(/,a)') ' Eisenlohr et al., Computational Materials Science, 42(4):670–678, 2008'
|
||||
write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2007.09.015'
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! parse header of ODF file
|
||||
call IO_open_file(FILEUNIT,ODFfileName)
|
||||
headerLength = 0_pInt
|
||||
line=IO_read(FILEUNIT)
|
||||
chunkPos = IO_stringPos(line)
|
||||
keyword = IO_lc(IO_StringValue(line,chunkPos,2_pInt,.true.))
|
||||
if (keyword(1:4) == 'head') then
|
||||
headerLength = IO_intValue(line,chunkPos,1_pInt) + 1_pInt
|
||||
else
|
||||
call IO_error(error_ID=156_pInt, ext_msg='no header found')
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! figure out columns containing data
|
||||
do i = 1_pInt, headerLength-1_pInt
|
||||
line=IO_read(FILEUNIT)
|
||||
enddo
|
||||
columns = 0_pInt
|
||||
chunkPos = IO_stringPos(line)
|
||||
do i = 1_pInt, chunkPos(1)
|
||||
select case ( IO_lc(IO_StringValue(line,chunkPos,i,.true.)) )
|
||||
case ('phi1')
|
||||
columns(1) = i
|
||||
case ('phi')
|
||||
columns(2) = i
|
||||
case ('phi2')
|
||||
columns(3) = i
|
||||
case ('intensity')
|
||||
columns(4) = i
|
||||
end select
|
||||
enddo
|
||||
|
||||
if (any(columns<1)) call IO_error(error_ID = 156_pInt, ext_msg='could not find expected header')
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! determine limits, number of steps and step size
|
||||
limits(1,1:3) = 721.0_pReal
|
||||
limits(2,1:3) = -1.0_pReal
|
||||
steps = 0_pInt
|
||||
|
||||
line=IO_read(FILEUNIT)
|
||||
do while (trim(line) /= IO_EOF)
|
||||
chunkPos = IO_stringPos(line)
|
||||
eulers=[IO_floatValue(line,chunkPos,columns(1)),&
|
||||
IO_floatValue(line,chunkPos,columns(2)),&
|
||||
IO_floatValue(line,chunkPos,columns(3))]
|
||||
steps = steps + merge(1,0,eulers>limits(2,1:3))
|
||||
limits(1,1:3) = min(limits(1,1:3),eulers)
|
||||
limits(2,1:3) = max(limits(2,1:3),eulers)
|
||||
line=IO_read(FILEUNIT)
|
||||
enddo
|
||||
|
||||
deltas = (limits(2,1:3)-limits(1,1:3))/real(steps-1_pInt,pReal)
|
||||
|
||||
write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Starting angles / ° = ',limits(1,1:3)
|
||||
write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Ending angles / ° = ',limits(2,1:3)
|
||||
write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Angular steps / ° = ',deltas
|
||||
|
||||
if (all(abs(limits(1,1:3)) < tol_math_check)) then
|
||||
write(6,'(/,a,/)',advance='no') ' assuming vertex centered data'
|
||||
center = 0.0_pReal ! no need to shift
|
||||
if (any(mod(int(limits(2,1:3),pInt),90)==0)) &
|
||||
call IO_error(error_ID = 156_pInt, ext_msg='linear ODF data repeated at right boundary')
|
||||
else
|
||||
write(6,'(/,a,/)',advance='no') ' assuming cell centered data'
|
||||
center = 0.5_pReal ! shift data by half of a bin
|
||||
endif
|
||||
|
||||
limits = limits*INRAD
|
||||
deltas = deltas*INRAD
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! read in data
|
||||
allocate(dV_V(steps(3),steps(2),steps(1)),source=0.0_pReal)
|
||||
sum_dV_V = 0.0_pReal
|
||||
dg_0 = deltas(1)*deltas(3)*2.0_pReal*sin(deltas(2)/2.0_pReal)
|
||||
NnonZero = 0_pInt
|
||||
|
||||
call IO_checkAndRewind(FILEUNIT) ! forward
|
||||
do i = 1_pInt, headerLength
|
||||
line=IO_read(FILEUNIT)
|
||||
enddo
|
||||
|
||||
do phi1=1_pInt,steps(1); do Phi=1_pInt,steps(2); do phi2=1_pInt,steps(3)
|
||||
line=IO_read(FILEUNIT)
|
||||
chunkPos = IO_stringPos(line)
|
||||
eulers=[IO_floatValue(line,chunkPos,columns(1)),& ! read in again for consistency check only
|
||||
IO_floatValue(line,chunkPos,columns(2)),&
|
||||
IO_floatValue(line,chunkPos,columns(3))]*INRAD
|
||||
if (any(abs((real([phi1,phi,phi2],pReal) -1.0_pReal + center)*deltas-eulers)>tol_math_check)) & ! check if data is in expected order (phi2 fast) and correct for Fortran starting at 1
|
||||
call IO_error(error_ID = 156_pInt, ext_msg='linear ODF data not in expected order')
|
||||
|
||||
prob = IO_floatValue(line,chunkPos,columns(4))
|
||||
if (prob > 0.0_pReal) then
|
||||
NnonZero = NnonZero+1_pInt
|
||||
sum_dV_V = sum_dV_V+prob
|
||||
else
|
||||
prob = 0.0_pReal
|
||||
endif
|
||||
dV_V(phi2,Phi,phi1) = prob*dg_0*sin((real(Phi-1_pInt,pReal)+center)*deltas(2))
|
||||
enddo; enddo; enddo
|
||||
close(FILEUNIT)
|
||||
dV_V = dV_V/sum_dV_V ! normalize to 1
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! now fix bounds
|
||||
Nset = max(Nast,NnonZero) ! if less than non-zero voxel count requested, sample at least that much
|
||||
lowerC = 0.0_pReal
|
||||
upperC = real(Nset, pReal)
|
||||
|
||||
do while (hybridIA_reps(dV_V,steps,upperC) < Nset)
|
||||
lowerC = upperC
|
||||
upperC = upperC*2.0_pReal
|
||||
enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! binary search for best C
|
||||
do
|
||||
C = (upperC+lowerC)/2.0_pReal
|
||||
Nreps = hybridIA_reps(dV_V,steps,C)
|
||||
if (abs(upperC-lowerC) < upperC*1.0e-14_pReal) then
|
||||
C = upperC
|
||||
Nreps = hybridIA_reps(dV_V,steps,C)
|
||||
exit
|
||||
elseif (Nreps < Nset) then
|
||||
lowerC = C
|
||||
elseif (Nreps > Nset) then
|
||||
upperC = C
|
||||
else
|
||||
exit
|
||||
endif
|
||||
enddo
|
||||
|
||||
allocate(binSet(Nreps))
|
||||
bin = 0_pInt ! bin counter
|
||||
i = 1_pInt ! set counter
|
||||
do phi1=1_pInt,steps(1); do Phi=1_pInt,steps(2) ;do phi2=1_pInt,steps(3)
|
||||
reps = nint(C*dV_V(phi2,Phi,phi1), pInt)
|
||||
binSet(i:i+reps-1) = bin
|
||||
bin = bin+1_pInt ! advance bin
|
||||
i = i+reps ! advance set
|
||||
enddo; enddo; enddo
|
||||
|
||||
do i=1_pInt,Nast
|
||||
if (i < Nast) then
|
||||
call random_number(rnd)
|
||||
j = nint(rnd*real(Nreps-i,pReal)+real(i,pReal)+0.5_pReal,pInt)
|
||||
else
|
||||
j = i
|
||||
endif
|
||||
bin = binSet(j)
|
||||
IO_hybridIA(1,i) = deltas(1)*(real(mod(bin/(steps(3)*steps(2)),steps(1)),pReal)+center) ! phi1
|
||||
IO_hybridIA(2,i) = deltas(2)*(real(mod(bin/ steps(3) ,steps(2)),pReal)+center) ! Phi
|
||||
IO_hybridIA(3,i) = deltas(3)*(real(mod(bin ,steps(3)),pReal)+center) ! phi2
|
||||
binSet(j) = binSet(i)
|
||||
enddo
|
||||
|
||||
contains
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief counts hybrid IA repetitions
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
integer(pInt) pure function hybridIA_reps(dV_V,steps,C)
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in), dimension(3) :: steps !< number of bins in Euler space
|
||||
real(pReal), intent(in), dimension(steps(3),steps(2),steps(1)) :: dV_V !< needs description
|
||||
real(pReal), intent(in) :: C !< needs description
|
||||
|
||||
integer(pInt) :: phi1,Phi,phi2
|
||||
|
||||
hybridIA_reps = 0_pInt
|
||||
do phi1=1_pInt,steps(1); do Phi =1_pInt,steps(2); do phi2=1_pInt,steps(3)
|
||||
hybridIA_reps = hybridIA_reps+nint(C*dV_V(phi2,Phi,phi1), pInt)
|
||||
enddo; enddo; enddo
|
||||
|
||||
end function hybridIA_reps
|
||||
|
||||
end function IO_hybridIA
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief identifies strings without content
|
||||
|
|
@ -1758,7 +1540,6 @@ integer(pInt) function IO_verifyIntValue (string,validChars,myName)
|
|||
validChars, & !< valid characters in string
|
||||
myName !< name of caller function (for debugging)
|
||||
integer(pInt) :: readStatus, invalidWhere
|
||||
!character(len=len(trim(string))) :: trimmed does not work with ifort 14.0.1
|
||||
|
||||
IO_verifyIntValue = 0_pInt
|
||||
|
||||
|
|
@ -1788,7 +1569,6 @@ real(pReal) function IO_verifyFloatValue (string,validChars,myName)
|
|||
myName !< name of caller function (for debugging)
|
||||
|
||||
integer(pInt) :: readStatus, invalidWhere
|
||||
!character(len=len(trim(string))) :: trimmed does not work with ifort 14.0.1
|
||||
|
||||
IO_verifyFloatValue = 0.0_pReal
|
||||
|
||||
|
|
|
|||
|
|
@ -513,7 +513,7 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, S6, Fi, ipc, ip, e
|
|||
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
|
||||
of = phasememberAt(ipc,ip,el)
|
||||
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
|
||||
call plastic_phenopowerlaw_LpAndItsTangent (Lp,dLp_dMp, Mp,instance,of)
|
||||
call plastic_phenopowerlaw_LpAndItsTangent (Lp,dLp_dMp,Mp,instance,of)
|
||||
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticityType
|
||||
call plastic_kinehardening_LpAndItsTangent (Lp,dLp_dMp99, math_Mandel33to6(Mp),ipc,ip,el)
|
||||
|
|
@ -525,9 +525,9 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, S6, Fi, ipc, ip, e
|
|||
dLp_dMp = math_Plain99to3333(dLp_dMp99) ! ToDo: We revert here the last statement in plastic_xx_LpAndItsTanget
|
||||
|
||||
case (PLASTICITY_DISLOTWIN_ID) plasticityType
|
||||
call plastic_dislotwin_LpAndItsTangent (Lp,dLp_dMp99, math_Mandel33to6(Mp), &
|
||||
temperature(ho)%p(tme),ipc,ip,el)
|
||||
dLp_dMp = math_Plain99to3333(dLp_dMp99) ! ToDo: We revert here the last statement in plastic_xx_LpAndItsTanget
|
||||
of = phasememberAt(ipc,ip,el)
|
||||
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
|
||||
call plastic_dislotwin_LpAndItsTangent (Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of)
|
||||
|
||||
case (PLASTICITY_DISLOUCLA_ID) plasticityType
|
||||
call plastic_disloucla_LpAndItsTangent (Lp,dLp_dMp99, math_Mandel33to6(Mp), &
|
||||
|
|
@ -922,8 +922,9 @@ subroutine constitutive_collectDotState(S6, FeArray, Fi, FpArray, subdt, subfrac
|
|||
call plastic_kinehardening_dotState(math_Mandel33to6(Mp),ipc,ip,el)
|
||||
|
||||
case (PLASTICITY_DISLOTWIN_ID) plasticityType
|
||||
call plastic_dislotwin_dotState (math_Mandel33to6(Mp),temperature(ho)%p(tme), &
|
||||
ipc,ip,el)
|
||||
of = phasememberAt(ipc,ip,el)
|
||||
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
|
||||
call plastic_dislotwin_dotState (Mp,temperature(ho)%p(tme),instance,of)
|
||||
|
||||
case (PLASTICITY_DISLOUCLA_ID) plasticityType
|
||||
call plastic_disloucla_dotState (math_Mandel33to6(Mp),temperature(ho)%p(tme), &
|
||||
|
|
@ -1135,20 +1136,27 @@ function constitutive_postResults(S6, Fi, FeArray, ipc, ip, el)
|
|||
case (PLASTICITY_ISOTROPIC_ID) plasticityType
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_isotropic_postResults(S6,ipc,ip,el)
|
||||
|
||||
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
|
||||
of = phasememberAt(ipc,ip,el)
|
||||
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_phenopowerlaw_postResults(Mp,instance,of)
|
||||
|
||||
case (PLASTICITY_KINEHARDENING_ID) plasticityType
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_kinehardening_postResults(S6,ipc,ip,el)
|
||||
|
||||
case (PLASTICITY_DISLOTWIN_ID) plasticityType
|
||||
of = phasememberAt(ipc,ip,el)
|
||||
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_dislotwin_postResults(S6,temperature(ho)%p(tme),ipc,ip,el)
|
||||
plastic_dislotwin_postResults(Mp,temperature(ho)%p(tme),instance,of)
|
||||
|
||||
case (PLASTICITY_DISLOUCLA_ID) plasticityType
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_disloucla_postResults(S6,temperature(ho)%p(tme),ipc,ip,el)
|
||||
|
||||
case (PLASTICITY_NONLOCAL_ID) plasticityType
|
||||
constitutive_postResults(startPos:endPos) = &
|
||||
plastic_nonlocal_postResults (S6,FeArray,ip,el)
|
||||
|
|
|
|||
|
|
@ -72,7 +72,7 @@ module lattice
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! face centered cubic
|
||||
integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: &
|
||||
LATTICE_fcc_NslipSystem = int([12, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],pInt) !< # of slip systems per family for fcc
|
||||
LATTICE_fcc_NslipSystem = int([12, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],pInt) !< # of slip systems per family for fcc
|
||||
|
||||
integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: &
|
||||
LATTICE_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< # of twin systems per family for fcc
|
||||
|
|
@ -104,11 +104,19 @@ module lattice
|
|||
1, 1, 0, 1,-1,-1, & ! A6
|
||||
0, 1, 1, -1, 1,-1, & ! D1
|
||||
1, 0,-1, -1, 1,-1, & ! D4
|
||||
-1,-1, 0, -1, 1,-1 & ! D6
|
||||
-1,-1, 0, -1, 1,-1, & ! D6
|
||||
! Slip system <110>{110}
|
||||
1, 1, 0, 1,-1, 0, &
|
||||
1,-1, 0, 1, 1, 0, &
|
||||
1, 0, 1, 1, 0,-1, &
|
||||
1, 0,-1, 1, 0, 1, &
|
||||
0, 1, 1, 0, 1,-1, &
|
||||
0, 1,-1, 0, 1, 1 &
|
||||
],pReal),shape(LATTICE_FCC_SYSTEMSLIP)) !< Slip system <110>{111} directions. Sorted according to Eisenlohr & Hantcherli
|
||||
|
||||
character(len=*), dimension(1), parameter, public :: LATTICE_FCC_SLIPFAMILY_NAME = &
|
||||
['<0 1 -1>{1 1 1}']
|
||||
character(len=*), dimension(2), parameter, public :: LATTICE_FCC_SLIPFAMILY_NAME = &
|
||||
['<0 1 -1>{1 1 1}', &
|
||||
'<0 1 -1>{0 1 1}']
|
||||
|
||||
real(pReal), dimension(3+3,LATTICE_fcc_Ntwin), parameter, private :: &
|
||||
LATTICE_fcc_systemTwin = reshape(real( [&
|
||||
|
|
@ -166,25 +174,38 @@ module lattice
|
|||
|
||||
integer(pInt), dimension(LATTICE_fcc_Nslip,lattice_fcc_Nslip), parameter, public :: &
|
||||
LATTICE_fcc_interactionSlipSlip = reshape(int( [&
|
||||
1,2,2,4,6,5,3,5,5,4,5,6, & ! ---> slip
|
||||
2,1,2,6,4,5,5,4,6,5,3,5, & ! |
|
||||
2,2,1,5,5,3,5,6,4,6,5,4, & ! |
|
||||
4,6,5,1,2,2,4,5,6,3,5,5, & ! v slip
|
||||
6,4,5,2,1,2,5,3,5,5,4,6, &
|
||||
5,5,3,2,2,1,6,5,4,5,6,4, &
|
||||
3,5,5,4,5,6,1,2,2,4,6,5, &
|
||||
5,4,6,5,3,5,2,1,2,6,4,5, &
|
||||
5,6,4,6,5,4,2,2,1,5,5,3, &
|
||||
4,5,6,3,5,5,4,6,5,1,2,2, &
|
||||
5,3,5,5,4,6,6,4,5,2,1,2, &
|
||||
6,5,4,5,6,4,5,5,3,2,2,1 &
|
||||
],pInt),shape(LATTICE_FCC_INTERACTIONSLIPSLIP),order=[2,1]) !< Slip--slip interaction types for fcc
|
||||
1, 2, 2, 4, 6, 5, 3, 5, 5, 4, 5, 6, 9,10, 9,10,11,12, & ! ---> slip
|
||||
2, 1, 2, 6, 4, 5, 5, 4, 6, 5, 3, 5, 9,10,11,12, 9,10, & ! |
|
||||
2, 2, 1, 5, 5, 3, 5, 6, 4, 6, 5, 4, 11,12, 9,10, 9,10, & ! |
|
||||
4, 6, 5, 1, 2, 2, 4, 5, 6, 3, 5, 5, 9,10,10, 9,12,11, & ! v slip
|
||||
6, 4, 5, 2, 1, 2, 5, 3, 5, 5, 4, 6, 9,10,12,11,10, 9, &
|
||||
5, 5, 3, 2, 2, 1, 6, 5, 4, 5, 6, 4, 11,12,10, 9,10, 9, &
|
||||
3, 5, 5, 4, 5, 6, 1, 2, 2, 4, 6, 5, 10, 9,10, 9,11,12, &
|
||||
5, 4, 6, 5, 3, 5, 2, 1, 2, 6, 4, 5, 10, 9,12,11, 9,10, &
|
||||
5, 6, 4, 6, 5, 4, 2, 2, 1, 5, 5, 3, 12,11,10, 9, 9,10, &
|
||||
4, 5, 6, 3, 5, 5, 4, 6, 5, 1, 2, 2, 10, 9, 9,10,12,11, &
|
||||
5, 3, 5, 5, 4, 6, 6, 4, 5, 2, 1, 2, 10, 9,11,12,10, 9, &
|
||||
6, 5, 4, 5, 6, 4, 5, 5, 3, 2, 2, 1, 12,11, 9,10,10, 9, &
|
||||
|
||||
9, 9,11, 9, 9,11,10,10,12,10,10,12, 1, 7, 8, 8, 8, 8, &
|
||||
10,10,12,10,10,12, 9, 9,11, 9, 9,11, 7, 1, 8, 8, 8, 8, &
|
||||
9,11, 9,10,12,10,10,12,10, 9,11, 9, 8, 8, 1, 7, 8, 8, &
|
||||
10,12,10, 9,11, 9, 9,11, 9,10,12,10, 8, 8, 7, 1, 8, 8, &
|
||||
11, 9, 9,12,10,10,11, 9, 9,12,10,10, 8, 8, 8, 8, 1, 7, &
|
||||
12,10,10,11, 9, 9,12,10,10,11, 9, 9, 8, 8, 8, 8, 7, 1 &
|
||||
],pInt),[LATTICE_fcc_Nslip,LATTICE_fcc_Nslip],order=[2,1]) !< Slip--slip interaction types for fcc
|
||||
!< 1: self interaction
|
||||
!< 2: coplanar interaction
|
||||
!< 3: collinear interaction
|
||||
!< 4: Hirth locks
|
||||
!< 5: glissile junctions
|
||||
!< 6: Lomer locks
|
||||
!< 7: crossing (similar to Hirth locks in <110>{111} for two {110} planes)
|
||||
!< 8: similar to Lomer locks in <110>{111} for two {110} planes
|
||||
!< 9: similar to Lomer locks in <110>{111} btw one {110} and one {111} plane
|
||||
!<10: similar to glissile junctions in <110>{111} btw one {110} and one {111} plane
|
||||
!<11: crossing btw one {110} and one {111} plane
|
||||
!<12: collinear btw one {110} and one {111} plane
|
||||
integer(pInt), dimension(LATTICE_fcc_Nslip,LATTICE_fcc_Ntwin), parameter, public :: &
|
||||
LATTICE_fcc_interactionSlipTwin = reshape(int( [&
|
||||
1,1,1,3,3,3,2,2,2,3,3,3, & ! ---> twin
|
||||
|
|
@ -198,7 +219,14 @@ module lattice
|
|||
3,3,3,3,3,3,1,1,1,2,2,2, &
|
||||
3,3,3,2,2,2,3,3,3,1,1,1, &
|
||||
2,2,2,3,3,3,3,3,3,1,1,1, &
|
||||
3,3,3,3,3,3,2,2,2,1,1,1 &
|
||||
3,3,3,3,3,3,2,2,2,1,1,1, &
|
||||
|
||||
4,4,4,4,4,4,4,4,4,4,4,4, &
|
||||
4,4,4,4,4,4,4,4,4,4,4,4, &
|
||||
4,4,4,4,4,4,4,4,4,4,4,4, &
|
||||
4,4,4,4,4,4,4,4,4,4,4,4, &
|
||||
4,4,4,4,4,4,4,4,4,4,4,4, &
|
||||
4,4,4,4,4,4,4,4,4,4,4,4 &
|
||||
],pInt),shape(LATTICE_FCC_INTERACTIONSLIPTWIN),order=[2,1]) !< Slip--twin interaction types for fcc
|
||||
!< 1: coplanar interaction
|
||||
!< 2: screw trace between slip system and twin habit plane (easy cross slip)
|
||||
|
|
@ -235,7 +263,14 @@ module lattice
|
|||
3,3,3,3,3,3,1,1,1,2,2,2, &
|
||||
3,3,3,2,2,2,3,3,3,1,1,1, &
|
||||
2,2,2,3,3,3,3,3,3,1,1,1, &
|
||||
3,3,3,3,3,3,2,2,2,1,1,1 &
|
||||
3,3,3,3,3,3,2,2,2,1,1,1, &
|
||||
|
||||
4,4,4,4,4,4,4,4,4,4,4,4, &
|
||||
4,4,4,4,4,4,4,4,4,4,4,4, &
|
||||
4,4,4,4,4,4,4,4,4,4,4,4, &
|
||||
4,4,4,4,4,4,4,4,4,4,4,4, &
|
||||
4,4,4,4,4,4,4,4,4,4,4,4, &
|
||||
4,4,4,4,4,4,4,4,4,4,4,4 &
|
||||
],pInt),shape(LATTICE_FCCTOHEX_INTERACTIONSLIPTRANS),order=[2,1]) !< Slip--trans interaction types for fcc
|
||||
|
||||
integer(pInt), dimension(LATTICE_fcc_Ntrans,LATTICE_fcc_Nslip), parameter, public :: &
|
||||
|
|
|
|||
179
src/material.f90
179
src/material.f90
|
|
@ -169,18 +169,13 @@ module material
|
|||
homogenization_maxNgrains !< max number of grains in any USED homogenization
|
||||
|
||||
integer(pInt), dimension(:), allocatable, public, protected :: &
|
||||
material_homogenizationAt, & !< homogenization ID of each element (copy of mesh_homogenizationAt)
|
||||
phase_Nsources, & !< number of source mechanisms active in each phase
|
||||
phase_Nkinematics, & !< number of kinematic mechanisms active in each phase
|
||||
phase_NstiffnessDegradations, & !< number of stiffness degradation mechanisms active in each phase
|
||||
phase_Noutput, & !< number of '(output)' items per phase
|
||||
phase_elasticityInstance, & !< instance of particular elasticity of each phase
|
||||
phase_plasticityInstance !< instance of particular plasticity of each phase
|
||||
|
||||
integer(pInt), dimension(:), allocatable, public, protected :: &
|
||||
crystallite_Noutput !< number of '(output)' items per crystallite setting
|
||||
|
||||
integer(pInt), dimension(:), allocatable, public, protected :: &
|
||||
phase_plasticityInstance, & !< instance of particular plasticity of each phase
|
||||
crystallite_Noutput, & !< number of '(output)' items per crystallite setting
|
||||
homogenization_Ngrains, & !< number of grains in each homogenization
|
||||
homogenization_Noutput, & !< number of '(output)' items per homogenization
|
||||
homogenization_typeInstance, & !< instance of particular type of each homogenization
|
||||
|
|
@ -189,7 +184,7 @@ module material
|
|||
vacancyflux_typeInstance, & !< instance of particular type of each vacancy flux
|
||||
porosity_typeInstance, & !< instance of particular type of each porosity model
|
||||
hydrogenflux_typeInstance, & !< instance of particular type of each hydrogen flux
|
||||
microstructure_crystallite !< crystallite setting ID of each microstructure
|
||||
microstructure_crystallite !< crystallite setting ID of each microstructure ! DEPRECATED !!!!
|
||||
|
||||
real(pReal), dimension(:), allocatable, public, protected :: &
|
||||
thermal_initialT, & !< initial temperature per each homogenization
|
||||
|
|
@ -198,12 +193,27 @@ module material
|
|||
porosity_initialPhi, & !< initial posority per each homogenization
|
||||
hydrogenflux_initialCh !< initial hydrogen concentration per each homogenization
|
||||
|
||||
! NEW MAPPINGS
|
||||
integer(pInt), dimension(:), allocatable, public, protected :: &
|
||||
material_homogenizationAt, & !< homogenization ID of each element (copy of mesh_homogenizationAt)
|
||||
material_homogenizationMemberAt, & !< position of the element within its homogenization instance
|
||||
material_aggregateAt, & !< aggregate ID of each element FUTURE USE FOR OUTPUT
|
||||
material_aggregatMemberAt !< position of the element within its aggregate instance FUTURE USE FOR OUTPUT
|
||||
integer(pInt), dimension(:,:), allocatable, public, protected :: &
|
||||
material_phaseAt, & !< phase ID of each element
|
||||
material_phaseMemberAt, & !< position of the element within its phase instance
|
||||
material_crystalliteAt, & !< crystallite ID of each element CURRENTLY NOT PER CONSTITUTENT
|
||||
material_crystalliteMemberAt !< position of the element within its crystallite instance CURRENTLY NOT PER CONSTITUTENT
|
||||
! END NEW MAPPINGS
|
||||
|
||||
! DEPRECATED: use material_phaseAt
|
||||
integer(pInt), dimension(:,:,:), allocatable, public :: &
|
||||
material_phase !< phase (index) of each grain,IP,element
|
||||
! BEGIN DEPRECATED: use material_homogenizationAt
|
||||
! DEPRECATED: use material_homogenizationAt
|
||||
integer(pInt), dimension(:,:), allocatable, public :: &
|
||||
material_homog !< homogenization (index) of each IP,element
|
||||
! END DEPRECATED
|
||||
|
||||
type(tPlasticState), allocatable, dimension(:), public :: &
|
||||
plasticState
|
||||
type(tSourceState), allocatable, dimension(:), public :: &
|
||||
|
|
@ -227,10 +237,6 @@ module material
|
|||
microstructure_elemhomo, & !< flag to indicate homogeneous microstructure distribution over element's IPs
|
||||
phase_localPlasticity !< flags phases with local constitutive law
|
||||
|
||||
|
||||
character(len=65536), dimension(:), allocatable, private :: &
|
||||
texture_ODFfile !< name of each ODF file
|
||||
|
||||
integer(pInt), private :: &
|
||||
microstructure_maxNconstituents, & !< max number of constituents in any phase
|
||||
texture_maxNgauss, & !< max number of Gauss components in any texture
|
||||
|
|
@ -258,11 +264,13 @@ module material
|
|||
logical, dimension(:), allocatable, private :: &
|
||||
homogenization_active
|
||||
|
||||
! BEGIN DEPRECATED
|
||||
integer(pInt), dimension(:,:,:), allocatable, public :: phaseAt !< phase ID of every material point (ipc,ip,el)
|
||||
integer(pInt), dimension(:,:,:), allocatable, public :: phasememberAt !< memberID of given phase at every material point (ipc,ip,el)
|
||||
integer(pInt), dimension(:,:,:), allocatable, public, target :: mappingCrystallite
|
||||
|
||||
integer(pInt), dimension(:,:,:), allocatable, public, target :: mappingHomogenization !< mapping from material points to offset in heterogenous state/field
|
||||
integer(pInt), dimension(:,:), allocatable, public, target :: mappingHomogenizationConst !< mapping from material points to offset in constant state/field
|
||||
integer(pInt), dimension(:,:), allocatable, private, target :: mappingHomogenizationConst !< mapping from material points to offset in constant state/field
|
||||
! END DEPRECATED
|
||||
|
||||
type(tHomogMapping), allocatable, dimension(:), public :: &
|
||||
thermalMapping, & !< mapping for thermal state/fields
|
||||
|
|
@ -283,6 +291,7 @@ module material
|
|||
|
||||
public :: &
|
||||
material_init, &
|
||||
material_allocatePlasticState, &
|
||||
ELASTICITY_hooke_ID ,&
|
||||
PLASTICITY_none_ID, &
|
||||
PLASTICITY_isotropic_ID, &
|
||||
|
|
@ -367,7 +376,6 @@ subroutine material_init()
|
|||
use mesh, only: &
|
||||
mesh_homogenizationAt, &
|
||||
mesh_NipsPerElem, &
|
||||
mesh_maxNips, &
|
||||
mesh_NcpElems, &
|
||||
FE_geomtype
|
||||
|
||||
|
|
@ -377,11 +385,10 @@ subroutine material_init()
|
|||
integer(pInt) :: &
|
||||
g, & !< grain number
|
||||
i, & !< integration point number
|
||||
e, & !< element number
|
||||
phase
|
||||
integer(pInt), dimension(:), allocatable :: ConstitutivePosition
|
||||
integer(pInt), dimension(:), allocatable :: CrystallitePosition
|
||||
integer(pInt), dimension(:), allocatable :: HomogenizationPosition
|
||||
e !< element number
|
||||
integer(pInt), dimension(:), allocatable :: &
|
||||
CounterPhase, &
|
||||
CounterHomogenization
|
||||
|
||||
myDebug = debug_level(debug_material)
|
||||
|
||||
|
|
@ -472,30 +479,34 @@ subroutine material_init()
|
|||
|
||||
call material_populateGrains
|
||||
|
||||
allocate(phaseAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt)
|
||||
allocate(phasememberAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt)
|
||||
allocate(mappingHomogenization (2, mesh_maxNips,mesh_NcpElems),source=0_pInt)
|
||||
allocate(mappingCrystallite (2,homogenization_maxNgrains, mesh_NcpElems),source=0_pInt)
|
||||
allocate(mappingHomogenizationConst( mesh_maxNips,mesh_NcpElems),source=1_pInt)
|
||||
! BEGIN DEPRECATED
|
||||
allocate(phaseAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt)
|
||||
allocate(phasememberAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt)
|
||||
allocate(mappingHomogenization (2, mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt)
|
||||
allocate(mappingHomogenizationConst( mesh_nIPsPerElem,mesh_NcpElems),source=1_pInt)
|
||||
! END DEPRECATED
|
||||
|
||||
allocate(ConstitutivePosition (size(config_phase)), source=0_pInt)
|
||||
allocate(HomogenizationPosition(size(config_homogenization)),source=0_pInt)
|
||||
allocate(CrystallitePosition (size(config_phase)), source=0_pInt)
|
||||
allocate(material_homogenizationAt,source=mesh_homogenizationAt)
|
||||
allocate(CounterPhase (size(config_phase)), source=0_pInt)
|
||||
allocate(CounterHomogenization(size(config_homogenization)),source=0_pInt)
|
||||
|
||||
ElemLoop:do e = 1_pInt,mesh_NcpElems
|
||||
! BEGIN DEPRECATED
|
||||
do e = 1_pInt,mesh_NcpElems
|
||||
myHomog = mesh_homogenizationAt(e)
|
||||
IPloop:do i = 1_pInt, mesh_NipsPerElem
|
||||
HomogenizationPosition(myHomog) = HomogenizationPosition(myHomog) + 1_pInt
|
||||
mappingHomogenization(1:2,i,e) = [HomogenizationPosition(myHomog),myHomog]
|
||||
GrainLoop:do g = 1_pInt,homogenization_Ngrains(myHomog)
|
||||
phase = material_phase(g,i,e)
|
||||
ConstitutivePosition(phase) = ConstitutivePosition(phase)+1_pInt ! not distinguishing between instances of same phase
|
||||
phaseAt(g,i,e) = phase
|
||||
phasememberAt(g,i,e) = ConstitutivePosition(phase)
|
||||
enddo GrainLoop
|
||||
enddo IPloop
|
||||
enddo ElemLoop
|
||||
do i = 1_pInt, mesh_NipsPerElem
|
||||
CounterHomogenization(myHomog) = CounterHomogenization(myHomog) + 1_pInt
|
||||
mappingHomogenization(1:2,i,e) = [CounterHomogenization(myHomog),myHomog]
|
||||
do g = 1_pInt,homogenization_Ngrains(myHomog)
|
||||
myPhase = material_phase(g,i,e)
|
||||
CounterPhase(myPhase) = CounterPhase(myPhase)+1_pInt ! not distinguishing between instances of same phase
|
||||
phaseAt(g,i,e) = myPhase
|
||||
phasememberAt(g,i,e) = CounterPhase(myPhase)
|
||||
enddo
|
||||
enddo
|
||||
enddo
|
||||
! END DEPRECATED
|
||||
|
||||
! REMOVE !!!!!
|
||||
! hack needed to initialize field values used during constitutive and crystallite initializations
|
||||
do myHomog = 1,size(config_homogenization)
|
||||
thermalMapping (myHomog)%p => mappingHomogenizationConst
|
||||
|
|
@ -936,9 +947,7 @@ subroutine material_parseTexture
|
|||
integer(pInt) :: section, gauss, fiber, j, t, i
|
||||
character(len=65536), dimension(:), allocatable :: strings ! Values for given key in material config
|
||||
integer(pInt), dimension(:), allocatable :: chunkPos
|
||||
character(len=65536) :: tag
|
||||
|
||||
allocate(texture_ODFfile(size(config_texture))); texture_ODFfile=''
|
||||
allocate(texture_symmetry(size(config_texture)), source=1_pInt)
|
||||
allocate(texture_Ngauss(size(config_texture)), source=0_pInt)
|
||||
allocate(texture_Nfiber(size(config_texture)), source=0_pInt)
|
||||
|
|
@ -984,9 +993,6 @@ subroutine material_parseTexture
|
|||
if(dNeq(math_det33(texture_transformation(1:3,1:3,t)),1.0_pReal)) call IO_error(157_pInt,t)
|
||||
endif
|
||||
|
||||
tag=''
|
||||
texture_ODFfile(t) = config_texture(t)%getString('hybridia',defaultVal=tag)
|
||||
|
||||
if (config_texture(t)%keyExists('symmetry')) then
|
||||
select case (config_texture(t)%getString('symmetry'))
|
||||
case('orthotropic')
|
||||
|
|
@ -1069,10 +1075,59 @@ subroutine material_parseTexture
|
|||
end subroutine material_parseTexture
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief allocates the plastic state of a phase
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine material_allocatePlasticState(phase,NofMyPhase,sizeState,sizeDotState,sizeDeltaState,&
|
||||
Nslip,Ntwin,Ntrans)
|
||||
use numerics, only: &
|
||||
numerics_integrator2 => numerics_integrator ! compatibility hack
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: &
|
||||
phase, &
|
||||
NofMyPhase, &
|
||||
sizeState, &
|
||||
sizeDotState, &
|
||||
sizeDeltaState, &
|
||||
Nslip, &
|
||||
Ntwin, &
|
||||
Ntrans
|
||||
integer(pInt) :: numerics_integrator ! compatibility hack
|
||||
numerics_integrator = numerics_integrator2(1) ! compatibility hack
|
||||
|
||||
plasticState(phase)%sizeState = sizeState
|
||||
plasticState(phase)%sizeDotState = sizeDotState
|
||||
plasticState(phase)%sizeDeltaState = sizeDeltaState
|
||||
plasticState(phase)%Nslip = Nslip
|
||||
plasticState(phase)%Ntwin = Ntwin
|
||||
plasticState(phase)%Ntrans= Ntrans
|
||||
|
||||
allocate(plasticState(phase)%aTolState (sizeState), source=0.0_pReal)
|
||||
allocate(plasticState(phase)%state0 (sizeState,NofMyPhase), source=0.0_pReal)
|
||||
allocate(plasticState(phase)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal)
|
||||
allocate(plasticState(phase)%subState0 (sizeState,NofMyPhase), source=0.0_pReal)
|
||||
allocate(plasticState(phase)%state (sizeState,NofMyPhase), source=0.0_pReal)
|
||||
|
||||
allocate(plasticState(phase)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
|
||||
if (numerics_integrator == 1_pInt) then
|
||||
allocate(plasticState(phase)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal)
|
||||
allocate(plasticState(phase)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal)
|
||||
endif
|
||||
if (numerics_integrator == 4_pInt) &
|
||||
allocate(plasticState(phase)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal)
|
||||
if (numerics_integrator == 5_pInt) &
|
||||
allocate(plasticState(phase)%RKCK45dotState (6,sizeDotState,NofMyPhase), source=0.0_pReal)
|
||||
|
||||
allocate(plasticState(phase)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal)
|
||||
|
||||
end subroutine material_allocatePlasticState
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief populates the grains
|
||||
!> @details populates the grains by identifying active microstructure/homogenization pairs,
|
||||
!! calculates the volume of the grains and deals with texture components and hybridIA
|
||||
!! calculates the volume of the grains and deals with texture components
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine material_populateGrains
|
||||
use prec, only: &
|
||||
|
|
@ -1091,7 +1146,6 @@ subroutine material_populateGrains
|
|||
mesh_elemType, &
|
||||
mesh_homogenizationAt, &
|
||||
mesh_microstructureAt, &
|
||||
mesh_maxNips, &
|
||||
mesh_NcpElems, &
|
||||
mesh_ipVolume, &
|
||||
FE_geomtype
|
||||
|
|
@ -1102,8 +1156,7 @@ subroutine material_populateGrains
|
|||
homogenization_name, &
|
||||
microstructure_name
|
||||
use IO, only: &
|
||||
IO_error, &
|
||||
IO_hybridIA
|
||||
IO_error
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_material, &
|
||||
|
|
@ -1131,12 +1184,11 @@ subroutine material_populateGrains
|
|||
|
||||
myDebug = debug_level(debug_material)
|
||||
|
||||
allocate(material_volume(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0.0_pReal)
|
||||
allocate(material_phase(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt)
|
||||
allocate(material_homog(mesh_maxNips,mesh_NcpElems), source=0_pInt)
|
||||
allocate(material_homogenizationAt,source=mesh_homogenizationAt)
|
||||
allocate(material_texture(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt)
|
||||
allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0.0_pReal)
|
||||
allocate(material_volume(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0.0_pReal)
|
||||
allocate(material_phase(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt)
|
||||
allocate(material_homog(mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt)
|
||||
allocate(material_texture(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt)
|
||||
allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0.0_pReal)
|
||||
|
||||
allocate(Ngrains(size(config_homogenization),size(config_microstructure)), source=0_pInt)
|
||||
allocate(Nelems (size(config_homogenization),size(config_microstructure)), source=0_pInt)
|
||||
|
|
@ -1280,8 +1332,7 @@ subroutine material_populateGrains
|
|||
real(texture_symmetry(textureID),pReal),pInt) ! max number of unique orientations (excl. symmetry)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! ...has texture components
|
||||
if (texture_ODFfile(textureID) == '') then
|
||||
! has texture components
|
||||
gauss: do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components
|
||||
do g = 1_pInt,int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count
|
||||
orientationOfGrain(:,grain+constituentGrain+g) = &
|
||||
|
|
@ -1306,13 +1357,6 @@ subroutine material_populateGrains
|
|||
random: do constituentGrain = constituentGrain+1_pInt,myNorientations ! fill remainder with random
|
||||
orientationOfGrain(:,grain+constituentGrain) = math_sampleRandomOri()
|
||||
enddo random
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! ...has hybrid IA
|
||||
else
|
||||
orientationOfGrain(1:3,grain+1_pInt:grain+myNorientations) = &
|
||||
IO_hybridIA(myNorientations,texture_ODFfile(textureID))
|
||||
if (all(dEq(orientationOfGrain(1:3,grain+1_pInt),-1.0_pReal))) call IO_error(156_pInt)
|
||||
endif
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! ...texture transformation
|
||||
|
|
@ -1429,12 +1473,7 @@ subroutine material_populateGrains
|
|||
enddo microstructureLoop
|
||||
enddo homogenizationLoop
|
||||
|
||||
deallocate(volumeOfGrain)
|
||||
deallocate(phaseOfGrain)
|
||||
deallocate(textureOfGrain)
|
||||
deallocate(orientationOfGrain)
|
||||
deallocate(texture_transformation)
|
||||
deallocate(Nelems)
|
||||
deallocate(elemsOfHomogMicro)
|
||||
call config_deallocate('material.config/microstructure')
|
||||
|
||||
|
|
|
|||
File diff suppressed because it is too large
Load Diff
|
|
@ -32,10 +32,7 @@ module plastic_phenopowerlaw
|
|||
totalvolfrac_twin_ID
|
||||
end enum
|
||||
|
||||
type, private :: tParameters !< container type for internal constitutive parameters
|
||||
integer(pInt) :: &
|
||||
totalNslip, &
|
||||
totalNtwin
|
||||
type, private :: tParameters
|
||||
real(pReal) :: &
|
||||
gdot0_slip, & !< reference shear strain rate for slip
|
||||
gdot0_twin, & !< reference shear strain rate for twin
|
||||
|
|
@ -50,45 +47,48 @@ module plastic_phenopowerlaw
|
|||
h0_TwinSlip, & !< reference hardening twin - slip
|
||||
h0_TwinTwin, & !< reference hardening twin - twin
|
||||
a_slip, &
|
||||
aTolResistance, & ! default absolute tolerance 1 Pa
|
||||
aTolShear, & ! default absolute tolerance 1e-6
|
||||
aTolTwinfrac ! default absolute tolerance 1e-6
|
||||
integer(pInt), dimension(:), allocatable :: &
|
||||
Nslip, & !< active number of slip systems per family
|
||||
Ntwin !< active number of twin systems per family
|
||||
real(pReal), dimension(:), allocatable :: &
|
||||
aTolResistance, & !< absolute tolerance for integration of xi
|
||||
aTolShear, & !< absolute tolerance for integration of gamma
|
||||
aTolTwinfrac !< absolute tolerance for integration of f
|
||||
real(pReal), allocatable, dimension(:) :: &
|
||||
xi_slip_0, & !< initial critical shear stress for slip
|
||||
xi_twin_0, & !< initial critical shear stress for twin
|
||||
xi_slip_sat, & !< maximum critical shear stress for slip
|
||||
nonSchmidCoeff, &
|
||||
H_int, & !< per family hardening activity (optional) !ToDo: Better name!
|
||||
gamma_twin_char !< characteristic shear for twins
|
||||
real(pReal), dimension(:,:), allocatable :: &
|
||||
real(pReal), allocatable, dimension(:,:) :: &
|
||||
interaction_SlipSlip, & !< slip resistance from slip activity
|
||||
interaction_SlipTwin, & !< slip resistance from twin activity
|
||||
interaction_TwinSlip, & !< twin resistance from slip activity
|
||||
interaction_TwinTwin !< twin resistance from twin activity
|
||||
real(pReal), dimension(:,:,:), allocatable :: &
|
||||
real(pReal), allocatable, dimension(:,:,:) :: &
|
||||
Schmid_slip, &
|
||||
Schmid_twin, &
|
||||
nonSchmid_pos, &
|
||||
nonSchmid_neg
|
||||
integer(kind(undefined_ID)), dimension(:), allocatable :: &
|
||||
integer(pInt) :: &
|
||||
totalNslip, & !< total number of active slip system
|
||||
totalNtwin !< total number of active twin systems
|
||||
integer(pInt), allocatable, dimension(:) :: &
|
||||
Nslip, & !< number of active slip systems for each family
|
||||
Ntwin !< number of active twin systems for each family
|
||||
integer(kind(undefined_ID)), allocatable, dimension(:) :: &
|
||||
outputID !< ID of each post result output
|
||||
end type
|
||||
end type !< container type for internal constitutive parameters
|
||||
|
||||
type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance)
|
||||
|
||||
type, private :: tPhenopowerlawState
|
||||
real(pReal), pointer, dimension(:) :: &
|
||||
sumGamma, & ! ToDo: why not make a dependent state?
|
||||
sumF ! ToDo: why not make a dependent state?
|
||||
real(pReal), pointer, dimension(:,:) :: &
|
||||
xi_slip, &
|
||||
xi_twin, &
|
||||
gamma_slip, &
|
||||
gamma_twin, &
|
||||
whole
|
||||
real(pReal), pointer, dimension(:) :: &
|
||||
sumGamma, &
|
||||
sumF
|
||||
end type
|
||||
|
||||
type(tPhenopowerlawState), allocatable, dimension(:), private :: &
|
||||
|
|
@ -115,6 +115,7 @@ subroutine plastic_phenopowerlaw_init
|
|||
compiler_options
|
||||
#endif
|
||||
use prec, only: &
|
||||
pStringLen, &
|
||||
dEq0
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
|
|
@ -130,6 +131,7 @@ subroutine plastic_phenopowerlaw_init
|
|||
phase_plasticity, &
|
||||
phase_plasticityInstance, &
|
||||
phase_Noutput, &
|
||||
material_allocatePlasticState, &
|
||||
PLASTICITY_PHENOPOWERLAW_LABEL, &
|
||||
PLASTICITY_PHENOPOWERLAW_ID, &
|
||||
material_phase, &
|
||||
|
|
@ -138,16 +140,13 @@ subroutine plastic_phenopowerlaw_init
|
|||
MATERIAL_partPhase, &
|
||||
config_phase
|
||||
use lattice
|
||||
use numerics,only: &
|
||||
numerics_integrator
|
||||
|
||||
implicit none
|
||||
|
||||
integer(pInt) :: &
|
||||
maxNinstance, &
|
||||
instance,p,j,k, o, i,&
|
||||
Ninstance, &
|
||||
p, i, &
|
||||
NipcMyPhase, outputSize, &
|
||||
sizeState,sizeDotState, &
|
||||
sizeState, sizeDotState, &
|
||||
startIndex, endIndex
|
||||
|
||||
integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::]
|
||||
|
|
@ -163,136 +162,38 @@ subroutine plastic_phenopowerlaw_init
|
|||
integer(kind(undefined_ID)) :: &
|
||||
outputID !< ID of each post result output
|
||||
|
||||
character(len=512) :: &
|
||||
extmsg = '', &
|
||||
structure = ''
|
||||
character(len=65536), dimension(:), allocatable :: outputs
|
||||
character(len=pStringLen) :: &
|
||||
structure = '',&
|
||||
extmsg = ''
|
||||
character(len=65536), dimension(:), allocatable :: &
|
||||
outputs
|
||||
|
||||
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_PHENOPOWERLAW_label//' init -+>>>'
|
||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
||||
#include "compilation_info.f90"
|
||||
|
||||
maxNinstance = int(count(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID),pInt)
|
||||
Ninstance = int(count(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID),pInt)
|
||||
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) &
|
||||
write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance
|
||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
|
||||
|
||||
allocate(plastic_phenopowerlaw_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt)
|
||||
allocate(plastic_phenopowerlaw_output(maxval(phase_Noutput),maxNinstance))
|
||||
allocate(plastic_phenopowerlaw_sizePostResult(maxval(phase_Noutput),Ninstance),source=0_pInt)
|
||||
allocate(plastic_phenopowerlaw_output(maxval(phase_Noutput),Ninstance))
|
||||
plastic_phenopowerlaw_output = ''
|
||||
|
||||
allocate(param(maxNinstance)) ! one container of parameters per instance
|
||||
allocate(state(maxNinstance))
|
||||
allocate(dotState(maxNinstance))
|
||||
allocate(param(Ninstance))
|
||||
allocate(state(Ninstance))
|
||||
allocate(dotState(Ninstance))
|
||||
|
||||
do p = 1_pInt, size(phase_plasticityInstance)
|
||||
if (phase_plasticity(p) /= PLASTICITY_PHENOPOWERLAW_ID) cycle
|
||||
instance = phase_plasticityInstance(p)
|
||||
associate(prm => param(instance),stt => state(instance),dot => dotState(instance))
|
||||
extmsg = ''
|
||||
associate(prm => param(phase_plasticityInstance(p)), &
|
||||
dot => dotState(phase_plasticityInstance(p)), &
|
||||
stt => state(phase_plasticityInstance(p)))
|
||||
|
||||
structure = config_phase(p)%getString('lattice_structure')
|
||||
|
||||
prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyIntArray)
|
||||
prm%totalNslip = sum(prm%Nslip)
|
||||
if (size(prm%Nslip) > count(lattice_NslipSystem(:,p) > 0_pInt)) &
|
||||
call IO_error(150_pInt,ext_msg='Nslip')
|
||||
if (any(lattice_NslipSystem(1:size(prm%Nslip),p)-prm%Nslip < 0_pInt)) &
|
||||
call IO_error(150_pInt,ext_msg='Nslip')
|
||||
|
||||
slipActive: if (prm%totalNslip > 0_pInt) then
|
||||
|
||||
prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),&
|
||||
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal))
|
||||
! reading in slip related parameters
|
||||
prm%xi_slip_0 = config_phase(p)%getFloats('tau0_slip', requiredShape=shape(prm%Nslip))
|
||||
prm%xi_slip_sat = config_phase(p)%getFloats('tausat_slip', requiredShape=shape(prm%Nslip))
|
||||
prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip,config_phase(p)%getFloats('interaction_slipslip'), &
|
||||
structure(1:3))
|
||||
prm%H_int = config_phase(p)%getFloats('h_int', requiredShape=shape(prm%Nslip), &
|
||||
defaultVal=[(0.0_pReal,i=1_pInt,size(prm%Nslip))])
|
||||
prm%nonSchmidCoeff = config_phase(p)%getFloats('nonschmid_coefficients',&
|
||||
defaultVal = emptyRealArray )
|
||||
if(structure=='bcc') then
|
||||
prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt)
|
||||
prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt)
|
||||
else
|
||||
prm%nonSchmid_pos = prm%Schmid_slip
|
||||
prm%nonSchmid_neg = prm%Schmid_slip
|
||||
endif
|
||||
prm%gdot0_slip = config_phase(p)%getFloat('gdot0_slip')
|
||||
prm%n_slip = config_phase(p)%getFloat('n_slip')
|
||||
prm%a_slip = config_phase(p)%getFloat('a_slip')
|
||||
prm%h0_SlipSlip = config_phase(p)%getFloat('h0_slipslip')
|
||||
|
||||
! sanity checks for slip related parameters
|
||||
if (any(prm%xi_slip_0 < 0.0_pReal .and. prm%Nslip > 0_pInt)) &
|
||||
extmsg = trim(extmsg)//"xi_slip_0 "
|
||||
if (any(prm%xi_slip_sat < prm%xi_slip_0 .and. prm%Nslip > 0_pInt)) &
|
||||
extmsg = trim(extmsg)//"xi_slip_sat "
|
||||
|
||||
if (prm%gdot0_slip <= 0.0_pReal) extmsg = trim(extmsg)//"gdot0_slip "
|
||||
if (dEq0(prm%a_slip)) extmsg = trim(extmsg)//"a_slip " ! ToDo: negative values ok?
|
||||
if (dEq0(prm%n_slip)) extmsg = trim(extmsg)//"n_slip " ! ToDo: negative values ok?
|
||||
|
||||
! expand slip related parameters from system => family
|
||||
prm%xi_slip_0 = math_expand(prm%xi_slip_0,prm%Nslip)
|
||||
prm%xi_slip_sat = math_expand(prm%xi_slip_sat,prm%Nslip)
|
||||
prm%H_int = math_expand(prm%H_int,prm%Nslip)
|
||||
else slipActive
|
||||
allocate(prm%interaction_SlipSlip(0,0))
|
||||
allocate(prm%xi_slip_0(0))
|
||||
endif slipActive
|
||||
|
||||
prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyIntArray)
|
||||
prm%totalNtwin = sum(prm%Ntwin)
|
||||
if (size(prm%Ntwin) > count(lattice_NtwinSystem(:,p) > 0_pInt)) &
|
||||
call IO_error(150_pInt,ext_msg='Ntwin')
|
||||
if (any(lattice_NtwinSystem(1:size(prm%Ntwin),p)-prm%Ntwin < 0_pInt)) &
|
||||
call IO_error(150_pInt,ext_msg='Ntwin')
|
||||
|
||||
twinActive: if (prm%totalNtwin > 0_pInt) then
|
||||
prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,structure(1:3),&
|
||||
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal))
|
||||
! reading in twin related parameters
|
||||
prm%xi_twin_0 = config_phase(p)%getFloats('tau0_twin',requiredShape=shape(prm%Ntwin))
|
||||
prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,config_phase(p)%getFloats('interaction_twintwin'), &
|
||||
structure(1:3))
|
||||
|
||||
prm%gdot0_twin = config_phase(p)%getFloat('gdot0_twin')
|
||||
prm%n_twin = config_phase(p)%getFloat('n_twin')
|
||||
prm%spr = config_phase(p)%getFloat('s_pr')
|
||||
prm%h0_TwinTwin = config_phase(p)%getFloat('h0_twintwin')
|
||||
|
||||
! sanity checks for twin related parameters
|
||||
if (any(prm%xi_twin_0 < 0.0_pReal .and. prm%Ntwin > 0_pInt)) &
|
||||
extmsg = trim(extmsg)//"xi_twin_0 "
|
||||
if (prm%gdot0_twin <= 0.0_pReal) extmsg = trim(extmsg)//"gdot0_twin "
|
||||
if (dEq0(prm%n_twin)) extmsg = trim(extmsg)//"n_twin " ! ToDo: negative values ok?
|
||||
|
||||
! expand slip related parameters from system => family
|
||||
prm%xi_twin_0 = math_expand(prm%xi_twin_0,prm%Ntwin)
|
||||
else twinActive
|
||||
allocate(prm%interaction_TwinTwin(0,0))
|
||||
allocate(prm%xi_twin_0(0))
|
||||
endif twinActive
|
||||
|
||||
prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,structure(1:3),&
|
||||
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal))
|
||||
|
||||
slipAndTwinActive: if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then
|
||||
prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,&
|
||||
config_phase(p)%getFloats('interaction_sliptwin'), &
|
||||
structure(1:3))
|
||||
prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,&
|
||||
config_phase(p)%getFloats('interaction_twinslip'), &
|
||||
structure(1:3))
|
||||
else slipAndTwinActive
|
||||
allocate(prm%interaction_SlipTwin(prm%totalNslip,prm%TotalNtwin)) ! at least one dimension 0
|
||||
allocate(prm%interaction_TwinSlip(prm%totalNtwin,prm%TotalNslip)) ! at least one dimension 0
|
||||
prm%h0_TwinSlip = 0.0_pReal
|
||||
endif slipAndTwinActive
|
||||
|
||||
! optional parameters that should be defined
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! optional parameters that need to be defined
|
||||
prm%twinB = config_phase(p)%getFloat('twin_b',defaultVal=1.0_pReal)
|
||||
prm%twinC = config_phase(p)%getFloat('twin_c',defaultVal=0.0_pReal)
|
||||
prm%twinD = config_phase(p)%getFloat('twin_d',defaultVal=0.0_pReal)
|
||||
|
|
@ -302,13 +203,110 @@ subroutine plastic_phenopowerlaw_init
|
|||
prm%aTolShear = config_phase(p)%getFloat('atol_shear', defaultVal=1.0e-6_pReal)
|
||||
prm%aTolTwinfrac = config_phase(p)%getFloat('atol_twinfrac', defaultVal=1.0e-6_pReal)
|
||||
|
||||
if (prm%aTolResistance <= 0.0_pReal) extmsg = trim(extmsg)//"aTolresistance "
|
||||
if (prm%aTolShear <= 0.0_pReal) extmsg = trim(extmsg)//"aTolShear "
|
||||
if (prm%aTolTwinfrac <= 0.0_pReal) extmsg = trim(extmsg)//"atoltwinfrac "
|
||||
! sanity checks
|
||||
if (prm%aTolResistance <= 0.0_pReal) extmsg = trim(extmsg)//'aTolresistance '
|
||||
if (prm%aTolShear <= 0.0_pReal) extmsg = trim(extmsg)//'aTolShear '
|
||||
if (prm%aTolTwinfrac <= 0.0_pReal) extmsg = trim(extmsg)//'atoltwinfrac '
|
||||
|
||||
if (extmsg /= '') call IO_error(211_pInt,ip=instance,&
|
||||
ext_msg=trim(extmsg)//'('//PLASTICITY_PHENOPOWERLAW_label//')')
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! slip related parameters
|
||||
prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyIntArray)
|
||||
prm%totalNslip = sum(prm%Nslip)
|
||||
slipActive: if (prm%totalNslip > 0_pInt) then
|
||||
prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),&
|
||||
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal))
|
||||
if(structure=='bcc') then
|
||||
prm%nonSchmidCoeff = config_phase(p)%getFloats('nonschmid_coefficients',&
|
||||
defaultVal = emptyRealArray)
|
||||
prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt)
|
||||
prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt)
|
||||
else
|
||||
prm%nonSchmid_pos = prm%Schmid_slip
|
||||
prm%nonSchmid_neg = prm%Schmid_slip
|
||||
endif
|
||||
prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, &
|
||||
config_phase(p)%getFloats('interaction_slipslip'), &
|
||||
structure(1:3))
|
||||
|
||||
prm%xi_slip_0 = config_phase(p)%getFloats('tau0_slip', requiredShape=shape(prm%Nslip))
|
||||
prm%xi_slip_sat = config_phase(p)%getFloats('tausat_slip', requiredShape=shape(prm%Nslip))
|
||||
prm%H_int = config_phase(p)%getFloats('h_int', requiredShape=shape(prm%Nslip), &
|
||||
defaultVal=[(0.0_pReal,i=1_pInt,size(prm%Nslip))])
|
||||
|
||||
prm%gdot0_slip = config_phase(p)%getFloat('gdot0_slip')
|
||||
prm%n_slip = config_phase(p)%getFloat('n_slip')
|
||||
prm%a_slip = config_phase(p)%getFloat('a_slip')
|
||||
prm%h0_SlipSlip = config_phase(p)%getFloat('h0_slipslip')
|
||||
|
||||
! expand: family => system
|
||||
prm%xi_slip_0 = math_expand(prm%xi_slip_0, prm%Nslip)
|
||||
prm%xi_slip_sat = math_expand(prm%xi_slip_sat,prm%Nslip)
|
||||
prm%H_int = math_expand(prm%H_int, prm%Nslip)
|
||||
|
||||
! sanity checks
|
||||
if (prm%gdot0_slip <= 0.0_pReal) extmsg = trim(extmsg)//'gdot0_slip '
|
||||
if (dEq0(prm%a_slip)) extmsg = trim(extmsg)//'a_slip ' ! ToDo: negative values ok?
|
||||
if (dEq0(prm%n_slip)) extmsg = trim(extmsg)//'n_slip ' ! ToDo: negative values ok?
|
||||
if (any(prm%xi_slip_0 <= 0.0_pReal)) extmsg = trim(extmsg)//'xi_slip_0 '
|
||||
if (any(prm%xi_slip_sat < prm%xi_slip_0)) extmsg = trim(extmsg)//'xi_slip_sat '
|
||||
else slipActive
|
||||
allocate(prm%interaction_SlipSlip(0,0))
|
||||
allocate(prm%xi_slip_0(0))
|
||||
endif slipActive
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! twin related parameters
|
||||
prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyIntArray)
|
||||
prm%totalNtwin = sum(prm%Ntwin)
|
||||
twinActive: if (prm%totalNtwin > 0_pInt) then
|
||||
prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,structure(1:3),&
|
||||
config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal))
|
||||
prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,&
|
||||
config_phase(p)%getFloats('interaction_twintwin'), &
|
||||
structure(1:3))
|
||||
prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,structure(1:3),&
|
||||
config_phase(p)%getFloat('c/a'))
|
||||
|
||||
prm%xi_twin_0 = config_phase(p)%getFloats('tau0_twin',requiredShape=shape(prm%Ntwin))
|
||||
|
||||
prm%gdot0_twin = config_phase(p)%getFloat('gdot0_twin')
|
||||
prm%n_twin = config_phase(p)%getFloat('n_twin')
|
||||
prm%spr = config_phase(p)%getFloat('s_pr')
|
||||
prm%h0_TwinTwin = config_phase(p)%getFloat('h0_twintwin')
|
||||
|
||||
! expand: family => system
|
||||
prm%xi_twin_0 = math_expand(prm%xi_twin_0, prm%Ntwin)
|
||||
|
||||
! sanity checks
|
||||
if (prm%gdot0_twin <= 0.0_pReal) extmsg = trim(extmsg)//'gdot0_twin '
|
||||
if (dEq0(prm%n_twin)) extmsg = trim(extmsg)//'n_twin ' ! ToDo: negative values ok?
|
||||
else twinActive
|
||||
allocate(prm%interaction_TwinTwin(0,0))
|
||||
allocate(prm%xi_twin_0(0))
|
||||
endif twinActive
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! slip-twin related parameters
|
||||
slipAndTwinActive: if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then
|
||||
prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,&
|
||||
config_phase(p)%getFloats('interaction_sliptwin'), &
|
||||
structure(1:3))
|
||||
prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,&
|
||||
config_phase(p)%getFloats('interaction_twinslip'), &
|
||||
structure(1:3))
|
||||
else slipAndTwinActive
|
||||
allocate(prm%interaction_SlipTwin(prm%totalNslip,prm%TotalNtwin)) ! at least one dimension is 0
|
||||
allocate(prm%interaction_TwinSlip(prm%totalNtwin,prm%TotalNslip)) ! at least one dimension is 0
|
||||
prm%h0_TwinSlip = 0.0_pReal
|
||||
endif slipAndTwinActive
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! exit if any parameter is out of range
|
||||
if (extmsg /= '') &
|
||||
call IO_error(211_pInt,ext_msg=trim(extmsg)//'('//PLASTICITY_PHENOPOWERLAW_label//')')
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! output pararameters
|
||||
outputs = config_phase(p)%getStrings('(output)',defaultVal=emptyStringArray)
|
||||
allocate(prm%outputID(0))
|
||||
do i=1_pInt, size(outputs)
|
||||
|
|
@ -349,8 +347,8 @@ subroutine plastic_phenopowerlaw_init
|
|||
end select
|
||||
|
||||
if (outputID /= undefined_ID) then
|
||||
plastic_phenopowerlaw_output(i,instance) = outputs(i)
|
||||
plastic_phenopowerlaw_sizePostResult(i,instance) = outputSize
|
||||
plastic_phenopowerlaw_output(i,phase_plasticityInstance(p)) = outputs(i)
|
||||
plastic_phenopowerlaw_sizePostResult(i,phase_plasticityInstance(p)) = outputSize
|
||||
prm%outputID = [prm%outputID , outputID]
|
||||
endif
|
||||
|
||||
|
|
@ -361,32 +359,12 @@ subroutine plastic_phenopowerlaw_init
|
|||
NipcMyPhase = count(material_phase == p) ! number of IPCs containing my phase
|
||||
sizeState = size(['tau_slip ','gamma_slip']) * prm%TotalNslip &
|
||||
+ size(['tau_twin ','gamma_twin']) * prm%TotalNtwin &
|
||||
+ size(['sum(gamma)','sum(f) '])
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! ToDo: This could be done by a function (in constitutive?)
|
||||
+ size(['sum(gamma)','sum(f) ']) ! ToDo: only needed if either twin or slip active!
|
||||
sizeDotState = sizeState
|
||||
plasticState(p)%sizeState = sizeState
|
||||
plasticState(p)%sizeDotState = sizeDotState
|
||||
plasticState(p)%sizePostResults = sum(plastic_phenopowerlaw_sizePostResult(:,instance))
|
||||
plasticState(p)%nSlip = prm%totalNslip
|
||||
plasticState(p)%nTwin = prm%totalNtwin
|
||||
allocate(plasticState(p)%aTolState ( sizeState), source=0.0_pReal)
|
||||
allocate(plasticState(p)%state0 ( sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(plasticState(p)%partionedState0 ( sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(plasticState(p)%subState0 ( sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(plasticState(p)%state ( sizeState,NipcMyPhase), source=0.0_pReal)
|
||||
|
||||
allocate(plasticState(p)%dotState (sizeDotState,NipcMyPhase), source=0.0_pReal)
|
||||
allocate(plasticState(p)%deltaState (0_pInt,NipcMyPhase), source=0.0_pReal)
|
||||
if (any(numerics_integrator == 1_pInt)) then
|
||||
allocate(plasticState(p)%previousDotState (sizeDotState,NipcMyPhase),source=0.0_pReal)
|
||||
allocate(plasticState(p)%previousDotState2(sizeDotState,NipcMyPhase),source=0.0_pReal)
|
||||
endif
|
||||
if (any(numerics_integrator == 4_pInt)) &
|
||||
allocate(plasticState(p)%RK4dotState (sizeDotState,NipcMyPhase), source=0.0_pReal)
|
||||
if (any(numerics_integrator == 5_pInt)) &
|
||||
allocate(plasticState(p)%RKCK45dotState (6,sizeDotState,NipcMyPhase), source=0.0_pReal)
|
||||
call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0_pInt, &
|
||||
prm%totalNslip,prm%totalNtwin,0_pInt)
|
||||
plasticState(p)%sizePostResults = sum(plastic_phenopowerlaw_sizePostResult(:,phase_plasticityInstance(p)))
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -432,7 +410,7 @@ subroutine plastic_phenopowerlaw_init
|
|||
dot%gamma_twin => plasticState(p)%dotState(startIndex:endIndex,:)
|
||||
plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolShear
|
||||
|
||||
plasticState(p)%state0 = plasticState(p)%state
|
||||
plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
|
||||
dot%whole => plasticState(p)%dotState
|
||||
|
||||
end associate
|
||||
|
|
@ -544,25 +522,21 @@ subroutine plastic_phenopowerlaw_dotState(Mp,instance,of)
|
|||
dot%gamma_slip(:,of) = abs(gdot_slip_pos+gdot_slip_neg)
|
||||
dot%sumGamma(of) = sum(dot%gamma_slip(:,of))
|
||||
call kinetics_twin(prm,stt,of,Mp,dot%gamma_twin(:,of))
|
||||
if (stt%sumF(of) < 0.98_pReal) dot%sumF(of) = sum(dot%gamma_twin(:,of)/prm%gamma_twin_char)
|
||||
if (prm%totalNtwin > 0_pInt) dot%sumF(of) = merge(sum(dot%gamma_twin(:,of)/prm%gamma_twin_char), &
|
||||
0.0_pReal, &
|
||||
stt%sumF(of) < 0.98_pReal)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! hardening
|
||||
hardeningSlip: do i = 1_pInt, prm%totalNslip
|
||||
dot%xi_slip(i,of) = &
|
||||
c_SlipSlip * left_SlipSlip(i) &
|
||||
* dot_product(prm%interaction_SlipSlip(i,:),right_SlipSlip*dot%gamma_slip(:,of)) &
|
||||
+ &
|
||||
dot_product(prm%interaction_SlipTwin(i,:),dot%gamma_twin(:,of))
|
||||
dot%xi_slip(i,of) = dot_product(prm%interaction_SlipSlip(i,:),right_SlipSlip*dot%gamma_slip(:,of)) &
|
||||
* c_SlipSlip * left_SlipSlip(i) &
|
||||
+ dot_product(prm%interaction_SlipTwin(i,:),dot%gamma_twin(:,of))
|
||||
enddo hardeningSlip
|
||||
|
||||
hardeningTwin: do i = 1_pInt, prm%totalNtwin
|
||||
dot%xi_twin(i,of) = &
|
||||
c_TwinSlip &
|
||||
* dot_product(prm%interaction_TwinSlip(i,:),dot%gamma_slip(:,of)) &
|
||||
+ &
|
||||
c_TwinTwin &
|
||||
* dot_product(prm%interaction_TwinTwin(i,:),dot%gamma_twin(:,of))
|
||||
dot%xi_twin(i,of) = c_TwinSlip * dot_product(prm%interaction_TwinSlip(i,:),dot%gamma_slip(:,of)) &
|
||||
+ c_TwinTwin * dot_product(prm%interaction_TwinTwin(i,:),dot%gamma_twin(:,of))
|
||||
enddo hardeningTwin
|
||||
|
||||
end associate
|
||||
|
|
@ -572,7 +546,7 @@ end subroutine plastic_phenopowerlaw_dotState
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates shear rates on slip systems and derivatives with respect to resolved stress
|
||||
!> @details: Shear rates are calculated only optionally. NOTE: Agains the common convention, the
|
||||
!> @details: Shear rates are calculated only optionally. NOTE: Against the common convention, the
|
||||
!> result (i.e. intent(out)) variables are the last to have the optional arguments at the end
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure subroutine kinetics_slip(prm,stt,of,Mp,gdot_slip_pos,gdot_slip_neg, &
|
||||
|
|
@ -602,26 +576,39 @@ pure subroutine kinetics_slip(prm,stt,of,Mp,gdot_slip_pos,gdot_slip_neg, &
|
|||
tau_slip_pos, &
|
||||
tau_slip_neg
|
||||
integer(pInt) :: i
|
||||
logical :: nonSchmidActive
|
||||
|
||||
nonSchmidActive = size(prm%nonSchmidCoeff) > 0_pInt
|
||||
|
||||
do i = 1_pInt, prm%totalNslip
|
||||
tau_slip_pos(i) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,i))
|
||||
tau_slip_neg(i) = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,i))
|
||||
tau_slip_neg(i) = merge(math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,i)), &
|
||||
0.0_pReal, nonSchmidActive)
|
||||
enddo
|
||||
|
||||
gdot_slip_pos = 0.5_pReal*prm%gdot0_slip &
|
||||
where(dNeq0(tau_slip_pos))
|
||||
gdot_slip_pos = prm%gdot0_slip * merge(0.5_pReal,1.0_pReal, nonSchmidActive) & ! 1/2 if non-Schmid active
|
||||
* sign(abs(tau_slip_pos/stt%xi_slip(:,of))**prm%n_slip, tau_slip_pos)
|
||||
else where
|
||||
gdot_slip_pos = 0.0_pReal
|
||||
end where
|
||||
|
||||
where(dNeq0(tau_slip_neg))
|
||||
gdot_slip_neg = 0.5_pReal*prm%gdot0_slip &
|
||||
* sign(abs(tau_slip_neg/stt%xi_slip(:,of))**prm%n_slip, tau_slip_neg)
|
||||
else where
|
||||
gdot_slip_neg = 0.0_pReal
|
||||
end where
|
||||
|
||||
if (present(dgdot_dtau_slip_pos)) then
|
||||
where(dNeq0(tau_slip_pos))
|
||||
where(dNeq0(gdot_slip_pos))
|
||||
dgdot_dtau_slip_pos = gdot_slip_pos*prm%n_slip/tau_slip_pos
|
||||
else where
|
||||
dgdot_dtau_slip_pos = 0.0_pReal
|
||||
end where
|
||||
endif
|
||||
if (present(dgdot_dtau_slip_neg)) then
|
||||
where(dNeq0(tau_slip_neg))
|
||||
where(dNeq0(gdot_slip_neg))
|
||||
dgdot_dtau_slip_neg = gdot_slip_neg*prm%n_slip/tau_slip_neg
|
||||
else where
|
||||
dgdot_dtau_slip_neg = 0.0_pReal
|
||||
|
|
@ -633,7 +620,7 @@ end subroutine kinetics_slip
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief calculates shear rates on twin systems and derivatives with respect to resolved stress
|
||||
!> @details: Shear rates are calculated only optionally. NOTE: Agains the common convention, the
|
||||
!> @details: Shear rates are calculated only optionally. NOTE: Against the common convention, the
|
||||
!> result (i.e. intent(out)) variables are the last to have the optional arguments at the end
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure subroutine kinetics_twin(prm,stt,of,Mp,gdot_twin,dgdot_dtau_twin)
|
||||
|
|
@ -663,11 +650,15 @@ pure subroutine kinetics_twin(prm,stt,of,Mp,gdot_twin,dgdot_dtau_twin)
|
|||
do i = 1_pInt, prm%totalNtwin
|
||||
tau_twin(i) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,i))
|
||||
enddo
|
||||
gdot_twin = merge((1.0_pReal-stt%sumF(of))*prm%gdot0_twin*(abs(tau_twin)/stt%xi_twin(:,of))**prm%n_twin, &
|
||||
0.0_pReal, tau_twin>0.0_pReal)
|
||||
|
||||
where(tau_twin > 0.0_pReal)
|
||||
gdot_twin = (1.0_pReal-stt%sumF(of))*prm%gdot0_twin*(abs(tau_twin)/stt%xi_twin(:,of))**prm%n_twin
|
||||
else where
|
||||
gdot_twin = 0.0_pReal
|
||||
end where
|
||||
|
||||
if (present(dgdot_dtau_twin)) then
|
||||
where(dNeq0(tau_twin))
|
||||
where(dNeq0(gdot_twin))
|
||||
dgdot_dtau_twin = gdot_twin*prm%n_twin/tau_twin
|
||||
else where
|
||||
dgdot_dtau_twin = 0.0_pReal
|
||||
|
|
@ -681,14 +672,8 @@ end subroutine kinetics_twin
|
|||
!> @brief return array of constitutive results
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function plastic_phenopowerlaw_postResults(Mp,instance,of) result(postResults)
|
||||
use material, only: &
|
||||
material_phase, &
|
||||
plasticState, &
|
||||
phasememberAt, &
|
||||
phase_plasticityInstance
|
||||
use math, only: &
|
||||
math_mul33xx33, &
|
||||
math_Mandel6to33
|
||||
math_mul33xx33
|
||||
|
||||
implicit none
|
||||
real(pReal), dimension(3,3), intent(in) :: &
|
||||
|
|
@ -701,7 +686,7 @@ function plastic_phenopowerlaw_postResults(Mp,instance,of) result(postResults)
|
|||
postResults
|
||||
|
||||
integer(pInt) :: &
|
||||
o,c,i,j
|
||||
o,c,i
|
||||
real(pReal), dimension(param(instance)%totalNslip) :: &
|
||||
gdot_slip_pos,gdot_slip_neg
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue