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python_exact_reference_plastic_test.py
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rMUSPECTRE µSpectre
python_exact_reference_plastic_test.py
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#!/usr/bin/env python3
# -*- coding:utf-8 -*-
from
python_exact_reference_elastic_test
import
ndim
,
N
,
Nx
,
Ny
,
Nz
from
material_hyper_elasto_plastic1
import
PK1_fun_3d
import
python_exact_reference_elastic_test
as
elastic_ref
from
python_exact_reference_elastic_test
import
Counter
from
python_exact_reference_elastic_test
import
t2_from_goose
from
python_exact_reference_elastic_test
import
t4_vec_to_goose
from
python_exact_reference_elastic_test
import
t4_to_goose
from
python_exact_reference_elastic_test
import
scalar_vec_to_goose
from
python_exact_reference_elastic_test
import
t2_vec_to_goose
from
python_exact_reference_elastic_test
import
deserialise_t4
,
t2_to_goose
import
sys
import
itertools
import
scipy.sparse.linalg
as
sp
"""
file python_exact_reference_plastic_test.py
@author Till Junge <till.junge@epfl.ch>
@date 22 Jun 2018
@brief Tests exactness of each iterate with respect to python reference
implementation from GooseFFT for plasticity
Copyright © 2018 Till Junge
µSpectre is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License as
published by the Free Software Foundation, either version 3, or (at
your option) any later version.
µSpectre is distributed in the hope that it will be useful, but
WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
General Public License for more details.
You should have received a copy of the GNU General Public License
along with GNU Emacs; see the file COPYING. If not, write to the
Free Software Foundation, Inc., 59 Temple Place - Suite 330,
Boston, MA 02111-1307, USA.
Additional permission under GNU GPL version 3 section 7
If you modify this Program, or any covered work, by linking or combining it
with proprietary FFT implementations or numerical libraries, containing parts
covered by the terms of those libraries' licenses, the licensors of this
Program grant you additional permission to convey the resulting work.
"""
import
unittest
import
numpy
as
np
import
numpy.linalg
as
linalg
from
python_test_imports
import
µ
# turn of warning for zero division
# (which occurs in the linearization of the logarithmic strain)
np
.
seterr
(
divide
=
'ignore'
,
invalid
=
'ignore'
)
# ----------------------------------- GRID ------------------------------------
shape
=
[
Nx
,
Ny
,
Nz
]
def
standalone_dyad22
(
A2
,
B2
):
return
np
.
einsum
(
'ij ,kl ->ijkl'
,
A2
,
B2
)
def
standalone_dyad11
(
A1
,
B1
):
return
np
.
einsum
(
'i ,j ->ij '
,
A1
,
B1
)
def
standalone_dot22
(
A2
,
B2
):
return
np
.
einsum
(
'ij ,jk ->ik '
,
A2
,
B2
)
def
standalone_dot24
(
A2
,
B4
):
return
np
.
einsum
(
'ij ,jkmn->ikmn'
,
A2
,
B4
)
def
standalone_dot42
(
A4
,
B2
):
return
np
.
einsum
(
'ijkl,lm ->ijkm'
,
A4
,
B2
)
standalone_inv2
=
np
.
linalg
.
inv
def
standalone_ddot22
(
A2
,
B2
):
return
np
.
einsum
(
'ij ,ji -> '
,
A2
,
B2
)
def
standalone_ddot42
(
A4
,
B2
):
return
np
.
einsum
(
'ijkl,lk ->ij '
,
A4
,
B2
)
def
standalone_ddot44
(
A4
,
B4
):
return
np
.
einsum
(
'ijkl,lkmn->ijmn'
,
A4
,
B4
)
def
constitutive_standalone
(
K
,
mu
,
H
,
tauy0
,
F
,
F_t
,
be_t
,
ep_t
,
dim
):
I
=
np
.
eye
(
dim
)
II
=
standalone_dyad22
(
I
,
I
)
I4
=
np
.
einsum
(
'il,jk'
,
I
,
I
)
I4rt
=
np
.
einsum
(
'ik,jl'
,
I
,
I
)
I4s
=
(
I4
+
I4rt
)
/
2.
def
ln2
(
A2
):
vals
,
vecs
=
np
.
linalg
.
eig
(
A2
)
return
sum
(
[
np
.
log
(
vals
[
i
])
*
standalone_dyad11
(
vecs
[:,
i
],
vecs
[:,
i
])
for
i
in
range
(
dim
)])
def
exp2
(
A2
):
vals
,
vecs
=
np
.
linalg
.
eig
(
A2
)
return
sum
(
[
np
.
exp
(
vals
[
i
])
*
standalone_dyad11
(
vecs
[:,
i
],
vecs
[:,
i
])
for
i
in
range
(
dim
)])
# function to compute linearization of the logarithmic Finger tensor
def
dln2_d2
(
A2
):
vals
,
vecs
=
np
.
linalg
.
eig
(
A2
)
K4
=
np
.
zeros
([
dim
,
dim
,
dim
,
dim
])
for
m
,
n
in
itertools
.
product
(
range
(
dim
),
repeat
=
2
):
if
vals
[
n
]
==
vals
[
m
]:
gc
=
(
1.0
/
vals
[
m
])
else
:
gc
=
(
np
.
log
(
vals
[
n
])
-
np
.
log
(
vals
[
m
]))
/
(
vals
[
n
]
-
vals
[
m
])
K4
+=
gc
*
standalone_dyad22
(
standalone_dyad11
(
vecs
[:,
m
],
vecs
[:,
n
]),
standalone_dyad11
(
vecs
[:,
m
],
vecs
[:,
n
]))
return
K4
# elastic stiffness tensor
C4e
=
K
*
II
+
2.
*
mu
*
(
I4s
-
1.
/
3.
*
II
)
# trial state
Fdelta
=
standalone_dot22
(
F
,
standalone_inv2
(
F_t
))
be_s
=
standalone_dot22
(
Fdelta
,
standalone_dot22
(
be_t
,
Fdelta
.
T
))
lnbe_s
=
ln2
(
be_s
)
tau_s
=
standalone_ddot42
(
C4e
,
lnbe_s
)
/
2.
taum_s
=
standalone_ddot22
(
tau_s
,
I
)
/
3.
taud_s
=
tau_s
-
taum_s
*
I
taueq_s
=
np
.
sqrt
(
3.
/
2.
*
standalone_ddot22
(
taud_s
,
taud_s
))
div
=
np
.
where
(
taueq_s
<
1e-12
,
np
.
ones_like
(
taueq_s
),
taueq_s
)
N_s
=
3.
/
2.
*
taud_s
/
div
phi_s
=
taueq_s
-
(
tauy0
+
H
*
ep_t
)
phi_s
=
1.
/
2.
*
(
phi_s
+
np
.
abs
(
phi_s
))
# return map
dgamma
=
phi_s
/
(
H
+
3.
*
mu
)
ep
=
ep_t
+
dgamma
tau
=
tau_s
-
2.
*
dgamma
*
N_s
*
mu
lnbe
=
lnbe_s
-
2.
*
dgamma
*
N_s
be
=
exp2
(
lnbe
)
P
=
standalone_dot22
(
tau
,
standalone_inv2
(
F
)
.
T
)
# consistent tangent operator
a0
=
dgamma
*
mu
/
taueq_s
a1
=
mu
/
(
H
+
3.
*
mu
)
C4ep
=
(((
K
-
2.
/
3.
*
mu
)
/
2.
+
a0
*
mu
)
*
II
+
(
1.
-
3.
*
a0
)
*
mu
*
I4s
+
2.
*
mu
*
(
a0
-
a1
)
*
standalone_dyad22
(
N_s
,
N_s
))
dlnbe4_s
=
dln2_d2
(
be_s
)
dbe4_s
=
2.
*
standalone_dot42
(
I4s
,
be_s
)
# K4a = ((C4e/2.)*(phi_s<=0.).astype(np.float)+
# C4ep*(phi_s>0.).astype(np.float))
K4a
=
np
.
where
(
phi_s
<=
0
,
C4e
/
2.
,
C4ep
)
K4b
=
standalone_ddot44
(
K4a
,
standalone_ddot44
(
dlnbe4_s
,
dbe4_s
))
K4c
=
standalone_dot42
(
-
I4rt
,
tau
)
+
K4b
K4
=
standalone_dot42
(
standalone_dot24
(
standalone_inv2
(
F
),
K4c
),
standalone_inv2
(
F
)
.
T
)
return
P
,
tau
,
K4
,
be
,
ep
,
dlnbe4_s
,
dbe4_s
,
K4a
,
K4b
,
K4c
# ----------------------------- TENSOR OPERATIONS -----------------------------
# tensor operations / products: np.einsum enables index notation, avoiding loops
# e.g. ddot42 performs $C_ij = A_ijkl B_lk$ for the entire grid
def
trans2
(
A2
):
return
np
.
einsum
(
'ijxyz ->jixyz '
,
A2
)
def
ddot22
(
A2
,
B2
):
return
np
.
einsum
(
'ijxyz ,jixyz ->xyz '
,
A2
,
B2
)
def
ddot42
(
A4
,
B2
):
return
np
.
einsum
(
'ijklxyz,lkxyz ->ijxyz '
,
A4
,
B2
)
def
ddot44
(
A4
,
B4
):
return
np
.
einsum
(
'ijklxyz,lkmnxyz->ijmnxyz'
,
A4
,
B4
)
def
dot11
(
A1
,
B1
):
return
np
.
einsum
(
'ixyz ,ixyz ->xyz '
,
A1
,
B1
)
def
dot22
(
A2
,
B2
):
return
np
.
einsum
(
'ijxyz ,jkxyz ->ikxyz '
,
A2
,
B2
)
def
dot24
(
A2
,
B4
):
return
np
.
einsum
(
'ijxyz ,jkmnxyz->ikmnxyz'
,
A2
,
B4
)
def
dot42
(
A4
,
B2
):
return
np
.
einsum
(
'ijklxyz,lmxyz ->ijkmxyz'
,
A4
,
B2
)
def
dyad22
(
A2
,
B2
):
return
np
.
einsum
(
'ijxyz ,klxyz ->ijklxyz'
,
A2
,
B2
)
def
dyad11
(
A1
,
B1
):
return
np
.
einsum
(
'ixyz ,jxyz ->ijxyz '
,
A1
,
B1
)
# eigenvalue decomposition of 2nd-order tensor: return in convention i,j,x,y,z
# NB requires to swap default order of NumPy (in in/output)
def
eig2
(
A2
):
def
swap1i
(
A1
):
return
np
.
einsum
(
'xyzi ->ixyz '
,
A1
)
def
swap2
(
A2
):
return
np
.
einsum
(
'ijxyz->xyzij'
,
A2
)
def
swap2i
(
A2
):
return
np
.
einsum
(
'xyzij->ijxyz'
,
A2
)
vals
,
vecs
=
np
.
linalg
.
eig
(
swap2
(
A2
))
vals
=
swap1i
(
vals
)
vecs
=
swap2i
(
vecs
)
return
vals
,
vecs
# logarithm of grid of 2nd-order tensors
def
ln2
(
A2
):
vals
,
vecs
=
eig2
(
A2
)
return
sum
([
np
.
log
(
vals
[
i
])
*
dyad11
(
vecs
[:,
i
],
vecs
[:,
i
])
for
i
in
range
(
3
)])
# exponent of grid of 2nd-order tensors
def
exp2
(
A2
):
vals
,
vecs
=
eig2
(
A2
)
return
sum
([
np
.
exp
(
vals
[
i
])
*
dyad11
(
vecs
[:,
i
],
vecs
[:,
i
])
for
i
in
range
(
3
)])
# determinant of grid of 2nd-order tensors
def
det2
(
A2
):
return
(
A2
[
0
,
0
]
*
A2
[
1
,
1
]
*
A2
[
2
,
2
]
+
A2
[
0
,
1
]
*
A2
[
1
,
2
]
*
A2
[
2
,
0
]
+
A2
[
0
,
2
]
*
A2
[
1
,
0
]
*
A2
[
2
,
1
])
-
\
(
A2
[
0
,
2
]
*
A2
[
1
,
1
]
*
A2
[
2
,
0
]
+
A2
[
0
,
1
]
*
A2
[
1
,
0
]
*
A2
[
2
,
2
]
+
A2
[
0
,
0
]
*
A2
[
1
,
2
]
*
A2
[
2
,
1
])
# inverse of grid of 2nd-order tensors
def
inv2
(
A2
):
A2det
=
det2
(
A2
)
A2inv
=
np
.
empty
([
3
,
3
,
Nx
,
Ny
,
Nz
])
A2inv
[
0
,
0
]
=
(
A2
[
1
,
1
]
*
A2
[
2
,
2
]
-
A2
[
1
,
2
]
*
A2
[
2
,
1
])
/
A2det
A2inv
[
0
,
1
]
=
(
A2
[
0
,
2
]
*
A2
[
2
,
1
]
-
A2
[
0
,
1
]
*
A2
[
2
,
2
])
/
A2det
A2inv
[
0
,
2
]
=
(
A2
[
0
,
1
]
*
A2
[
1
,
2
]
-
A2
[
0
,
2
]
*
A2
[
1
,
1
])
/
A2det
A2inv
[
1
,
0
]
=
(
A2
[
1
,
2
]
*
A2
[
2
,
0
]
-
A2
[
1
,
0
]
*
A2
[
2
,
2
])
/
A2det
A2inv
[
1
,
1
]
=
(
A2
[
0
,
0
]
*
A2
[
2
,
2
]
-
A2
[
0
,
2
]
*
A2
[
2
,
0
])
/
A2det
A2inv
[
1
,
2
]
=
(
A2
[
0
,
2
]
*
A2
[
1
,
0
]
-
A2
[
0
,
0
]
*
A2
[
1
,
2
])
/
A2det
A2inv
[
2
,
0
]
=
(
A2
[
1
,
0
]
*
A2
[
2
,
1
]
-
A2
[
1
,
1
]
*
A2
[
2
,
0
])
/
A2det
A2inv
[
2
,
1
]
=
(
A2
[
0
,
1
]
*
A2
[
2
,
0
]
-
A2
[
0
,
0
]
*
A2
[
2
,
1
])
/
A2det
A2inv
[
2
,
2
]
=
(
A2
[
0
,
0
]
*
A2
[
1
,
1
]
-
A2
[
0
,
1
]
*
A2
[
1
,
0
])
/
A2det
return
A2inv
# ------------------------ INITIATE (IDENTITY) TENSORS ------------------------
# identity tensor (single tensor)
i
=
np
.
eye
(
3
)
# identity tensors (grid)
I
=
np
.
einsum
(
'ij,xyz'
,
i
,
np
.
ones
([
Nx
,
Ny
,
Nz
]))
I4
=
np
.
einsum
(
'ijkl,xyz->ijklxyz'
,
np
.
einsum
(
'il,jk'
,
i
,
i
),
np
.
ones
([
Nx
,
Ny
,
Nz
]))
I4rt
=
np
.
einsum
(
'ijkl,xyz->ijklxyz'
,
np
.
einsum
(
'ik,jl'
,
i
,
i
),
np
.
ones
([
Nx
,
Ny
,
Nz
]))
I4s
=
(
I4
+
I4rt
)
/
2.
II
=
dyad22
(
I
,
I
)
# ------------------------------------ FFT ------------------------------------
# projection operator (only for non-zero frequency, associated with the mean)
# NB: vectorized version of "hyper-elasticity.py"
# - allocate / support function
Ghat4
=
np
.
zeros
([
3
,
3
,
3
,
3
,
Nx
,
Ny
,
Nz
])
# projection operator
x
=
np
.
zeros
([
3
,
Nx
,
Ny
,
Nz
],
dtype
=
'int64'
)
# position vectors
q
=
np
.
zeros
([
3
,
Nx
,
Ny
,
Nz
],
dtype
=
'int64'
)
# frequency vectors
# Dirac delta function
def
delta
(
i
,
j
):
return
np
.
float
(
i
==
j
)
# - set "x" as position vector of all grid-points [grid of vector-components]
x
[
0
],
x
[
1
],
x
[
2
]
=
np
.
mgrid
[:
Nx
,
:
Ny
,
:
Nz
]
# - convert positions "x" to frequencies "q" [grid of vector-components]
for
i
in
range
(
3
):
freq
=
np
.
arange
(
-
(
shape
[
i
]
-
1
)
/
2
,
+
(
shape
[
i
]
+
1
)
/
2
,
dtype
=
'int64'
)
q
[
i
]
=
freq
[
x
[
i
]]
# - compute "Q = ||q||", and "norm = 1/Q" being zero for the mean (Q==0)
# NB: avoid zero division
q
=
q
.
astype
(
np
.
float
)
Q
=
dot11
(
q
,
q
)
Z
=
Q
==
0
Q
[
Z
]
=
1.
norm
=
1.
/
Q
norm
[
Z
]
=
0.
# - set projection operator [grid of tensors]
for
i
,
j
,
l
,
m
in
itertools
.
product
(
range
(
3
),
repeat
=
4
):
Ghat4
[
i
,
j
,
l
,
m
]
=
norm
*
delta
(
i
,
m
)
*
q
[
j
]
*
q
[
l
]
# (inverse) Fourier transform (for each tensor component in each direction)
def
fft
(
x
):
return
np
.
fft
.
fftshift
(
np
.
fft
.
fftn
(
np
.
fft
.
ifftshift
(
x
),
[
Nx
,
Ny
,
Nz
]))
def
ifft
(
x
):
return
np
.
fft
.
fftshift
(
np
.
fft
.
ifftn
(
np
.
fft
.
ifftshift
(
x
),
[
Nx
,
Ny
,
Nz
]))
# functions for the projection 'G', and the product 'G : K^LT : (delta F)^T'
def
G
(
A2
):
return
np
.
real
(
ifft
(
ddot42
(
Ghat4
,
fft
(
A2
))))
.
reshape
(
-
1
)
def
K_dF
(
dFm
):
return
trans2
(
ddot42
(
K4
,
trans2
(
dFm
.
reshape
(
3
,
3
,
Nx
,
Ny
,
Nz
))))
def
G_K_dF
(
dFm
):
return
G
(
K_dF
(
dFm
))
# --------------------------- CONSTITUTIVE RESPONSE ---------------------------
# constitutive response to a certain loading and history
# NB: completely uncoupled from the FFT-solver, but implemented as a regular
# grid of quadrature points, to have an efficient code;
# each point is completely independent, just evaluated at the same time
def
constitutive
(
F
,
F_t
,
be_t
,
ep_t
):
# function to compute linearization of the logarithmic Finger tensor
def
dln2_d2
(
A2
):
vals
,
vecs
=
eig2
(
A2
)
K4
=
np
.
zeros
([
3
,
3
,
3
,
3
,
Nx
,
Ny
,
Nz
])
for
m
,
n
in
itertools
.
product
(
range
(
3
),
repeat
=
2
):
gc
=
(
np
.
log
(
vals
[
n
])
-
np
.
log
(
vals
[
m
]))
/
(
vals
[
n
]
-
vals
[
m
])
gc
[
vals
[
n
]
==
vals
[
m
]]
=
(
1.0
/
vals
[
m
])[
vals
[
n
]
==
vals
[
m
]]
K4
+=
gc
*
dyad22
(
dyad11
(
vecs
[:,
m
],
vecs
[:,
n
]),
dyad11
(
vecs
[:,
m
],
vecs
[:,
n
]))
return
K4
# elastic stiffness tensor
C4e
=
K
*
II
+
2.
*
mu
*
(
I4s
-
1.
/
3.
*
II
)
# trial state
Fdelta
=
dot22
(
F
,
inv2
(
F_t
))
be_s
=
dot22
(
Fdelta
,
dot22
(
be_t
,
trans2
(
Fdelta
)))
lnbe_s
=
ln2
(
be_s
)
tau_s
=
ddot42
(
C4e
,
lnbe_s
)
/
2.
taum_s
=
ddot22
(
tau_s
,
I
)
/
3.
taud_s
=
tau_s
-
taum_s
*
I
taueq_s
=
np
.
sqrt
(
3.
/
2.
*
ddot22
(
taud_s
,
taud_s
))
div
=
np
.
where
(
taueq_s
<
1e-12
,
np
.
ones_like
(
taueq_s
),
taueq_s
)
N_s
=
3.
/
2.
*
taud_s
/
div
phi_s
=
taueq_s
-
(
tauy0
+
H
*
ep_t
)
phi_s
=
1.
/
2.
*
(
phi_s
+
np
.
abs
(
phi_s
))
# return map
dgamma
=
phi_s
/
(
H
+
3.
*
mu
)
ep
=
ep_t
+
dgamma
tau
=
tau_s
-
2.
*
dgamma
*
N_s
*
mu
lnbe
=
lnbe_s
-
2.
*
dgamma
*
N_s
be
=
exp2
(
lnbe
)
P
=
dot22
(
tau
,
trans2
(
inv2
(
F
)))
# consistent tangent operator
a0
=
dgamma
*
mu
/
taueq_s
a1
=
mu
/
(
H
+
3.
*
mu
)
C4ep
=
((
K
-
2.
/
3.
*
mu
)
/
2.
+
a0
*
mu
)
*
II
+
(
1.
-
3.
*
a0
)
*
\
mu
*
I4s
+
2.
*
mu
*
(
a0
-
a1
)
*
dyad22
(
N_s
,
N_s
)
dlnbe4_s
=
dln2_d2
(
be_s
)
dbe4_s
=
2.
*
dot42
(
I4s
,
be_s
)
K4a
=
np
.
where
(
phi_s
<=
0
,
C4e
/
2.
,
C4ep
)
K4b
=
ddot44
(
K4a
,
ddot44
(
dlnbe4_s
,
dbe4_s
))
K4c
=
dot42
(
-
I4rt
,
tau
)
+
K4b
K4
=
dot42
(
dot24
(
inv2
(
F
),
K4c
),
trans2
(
inv2
(
F
)))
return
P
,
K4
,
be
,
ep
,
dlnbe4_s
,
dbe4_s
,
K4a
,
K4b
,
K4c
# phase indicator: square inclusion of volume fraction (3*3*15)/(11*13*15)
phase
=
np
.
zeros
([
Nx
,
Ny
,
Nz
])
phase
[
0
,
0
,
0
]
=
1.
# function to convert material parameters to grid of scalars
def
param
(
M0
,
M1
):
return
M0
*
np
.
ones
([
Nx
,
Ny
,
Nz
])
*
(
1.
-
phase
)
+
\
M1
*
np
.
ones
([
Nx
,
Ny
,
Nz
])
*
phase
# material parameters
K
=
param
(
0.833
,
0.833
)
# bulk modulus
Kmat
=
K
mu
=
param
(
0.386
,
0.386
)
# shear modulus
H
=
param
(
0.004
,
0.008
)
# hardening modulus
tauy0
=
param
(
0.003
,
0.006
)
# initial yield stress
# ---------------------------------- LOADING ----------------------------------
# stress, deformation gradient, plastic strain, elastic Finger tensor
# NB "_t" signifies that it concerns the value at the previous increment
ep_t
=
np
.
zeros
([
Nx
,
Ny
,
Nz
])
P
=
np
.
zeros
([
3
,
3
,
Nx
,
Ny
,
Nz
])
F
=
np
.
array
(
I
,
copy
=
True
)
F_t
=
np
.
array
(
I
,
copy
=
True
)
be_t
=
np
.
array
(
I
,
copy
=
True
)
# initialize macroscopic incremental loading
ninc
=
50
lam
=
0.0
barF
=
np
.
array
(
I
,
copy
=
True
)
barF_t
=
np
.
array
(
I
,
copy
=
True
)
# initial tangent operator: the elastic tangent
K4
=
K
*
II
+
2.
*
mu
*
(
I4s
-
1.
/
3.
*
II
)
class
ElastoPlastic_Check
(
unittest
.
TestCase
):
t2_comparator
=
elastic_ref
.
LinearElastic_Check
.
t2_comparator
t4_comparator
=
elastic_ref
.
LinearElastic_Check
.
t4_comparator
def
scalar_comparator
(
self
,
µ
,
g
):
err_sum
=
0.
err_max
=
0.
for
counter
,
(
i
,
j
,
k
)
in
enumerate
(
self
.
rve
):
print
((
i
,
j
,
k
))
µ
_arr
=
µ
[
counter
]
g_arr
=
g
[
i
,
j
,
k
]
self
.
assertEqual
(
Nz
*
Ny
*
i
+
Nz
*
j
+
k
,
counter
)
print
(
"µSpectre:"
)
print
(
µ
_arr
)
print
(
"Goose:"
)
print
(
g_arr
)
print
(
µ
_arr
-
g_arr
)
err
=
linalg
.
norm
(
µ
_arr
-
g_arr
)
print
(
"error norm = {}"
.
format
(
err
))
err_sum
+=
err
err_max
=
max
(
err_max
,
err
)
pass
print
(
"∑(err) = {}, max(err) = {}"
.
format
(
err_sum
,
err_max
))
return
err_sum
def
setUp
(
self
):
# ---------------------------- µSpectre init --------------------------
resolution
=
list
(
phase
.
shape
)
dim
=
len
(
resolution
)
self
.
dim
=
dim
center
=
np
.
array
([
r
//
2
for
r
in
resolution
])
incl
=
resolution
[
0
]
//
5
# Domain dimensions
lengths
=
[
float
(
r
)
for
r
in
resolution
]
## formulation (small_strain or finite_strain)
formulation
=
µ
.
Formulation
.
finite_strain
# build a computational domain
self
.
rve
=
µ
.
Cell
(
resolution
,
lengths
,
formulation
)
def
get_E_nu
(
bulk
,
shear
):
Young
=
9
*
bulk
*
shear
/
(
3
*
bulk
+
shear
)
Poisson
=
Young
/
(
2
*
shear
)
-
1
return
Young
,
Poisson
mat
=
µ
.
material
.
MaterialHyperElastoPlastic1_3d
E
,
nu
=
get_E_nu
(
.
833
,
.
386
)
H
=
0.004
tauy0
=
.
003
self
.
hard
=
mat
.
make
(
self
.
rve
,
'hard'
,
E
,
nu
,
2
*
tauy0
,
2
*
H
)
self
.
soft
=
mat
.
make
(
self
.
rve
,
'soft'
,
E
,
nu
,
tauy0
,
H
)
for
pixel
in
self
.
rve
:
if
pixel
[
0
]
==
0
and
pixel
[
1
]
==
0
and
pixel
[
2
]
==
0
:
self
.
hard
.
add_pixel
(
pixel
)
else
:
self
.
soft
.
add_pixel
(
pixel
)
pass
pass
return
def
test_solve
(
self
):
strict_tol
=
1e-11
cg_tol
=
1e-11
after_cg_tol
=
1e-10
newton_tol
=
1e-5
self
.
rve
.
set_uniform_strain
(
np
.
array
(
np
.
eye
(
ndim
)))
µ
F
=
self
.
rve
.
get_strain
()
µ
F_t
=
µ
F
.
copy
()
µ
barF_t
=
µ
F
.
copy
()
# incremental deformation
for
inc
in
range
(
1
,
ninc
):
print
(
'============================='
)
print
(
'inc: {0:d}'
.
format
(
inc
))
# set macroscopic deformation gradient (pure-shear)
global
lam
,
F
,
F_t
,
barF_t
,
K4
,
be_t
,
ep_t
lam
+=
0.2
/
float
(
ninc
)
barF
=
np
.
array
(
I
,
copy
=
True
)
barF
[
0
,
0
]
=
(
1.
+
lam
)
barF
[
1
,
1
]
=
1.
/
(
1.
+
lam
)
def
rel_error_scalar
(
µ
,
g
,
tol
,
do_assert
=
True
):
err
=
(
linalg
.
norm
(
scalar_vec_to_goose
(
µ
)
-
g
.
reshape
(
-
1
))
/
linalg
.
norm
(
g
))
if
not
(
err
<
tol
):
self
.
scalar_comparator
(
µ
.
reshape
(
-
1
),
g
)
if
do_assert
:
self
.
assertLess
(
err
,
tol
)
else
:
print
(
"AssertionWarning: {} is not less than {}"
.
format
(
err
,
tol
))
pass
return
err
def
rel_error_t2
(
µ
,
g
,
tol
,
do_assert
=
True
):
err
=
linalg
.
norm
(
t2_vec_to_goose
(
µ
)
-
g
.
reshape
(
-
1
))
/
linalg
.
norm
(
g
)
if
not
(
err
<
tol
):
self
.
t2_comparator
(
µ
.
reshape
(
µ
F
.
shape
),
g
.
reshape
(
F
.
shape
))
if
do_assert
:
self
.
assertLess
(
err
,
tol
)
else
:
print
(
"AssertionWarning: {} is not less than {}"
.
format
(
err
,
tol
))
pass
return
err
def
rel_error_t4
(
µ
,
g
,
tol
,
right_transposed
=
True
,
do_assert
=
True
,
pixel_tol
=
1e-4
):
err
=
linalg
.
norm
(
t4_vec_to_goose
(
µ
)
-
g
.
reshape
(
-
1
))
/
linalg
.
norm
(
g
)
errors
=
None
if
not
(
err
<
tol
):
err_sum
,
errors
=
self
.
t4_comparator
(
µ
.
reshape
(
µ
K
.
shape
),
g
.
reshape
(
K4
.
shape
),
right_transposed
)
if
do_assert
:
self
.
assertLess
(
err
,
tol
)
else
:
print
(
"AssertionWarning: {} is not less than {}"
.
format
(
err
,
tol
))
pass
return
err
,
errors
def
abs_error_t2
(
µ
,
g
,
tol
,
do_assert
=
True
):
ref_norm
=
linalg
.
norm
(
g
)
if
ref_norm
>
1
:
return
rel_error_t2
(
µ
,
g
,
tol
,
do_assert
)
else
:
err
=
linalg
.
norm
(
t2_vec_to_goose
(
µ
)
-
g
.
reshape
(
-
1
))
if
not
(
err
<
tol
):
self
.
t2_comparator
(
µ
.
reshape
(
µ
F
.
shape
),
g
.
reshape
(
F
.
shape
))
if
do_assert
:
self
.
assertLess
(
err
,
tol
)
else
:
print
((
"AssertionWarning: {} is not less than {}"
+
""
)
.
format
(
err
,
tol
))
return
err
rel_error_t2
(
µ
F
,
F
,
strict_tol
)
# store normalization
Fn
=
np
.
linalg
.
norm
(
F
)
# first iteration residual: distribute "barF" over grid using "K4"
b
=
-
G_K_dF
(
barF
-
barF_t
)
F
+=
barF
-
barF_t
# parameters for Newton iterations: normalization and iteration
# counter
Fn
=
np
.
linalg
.
norm
(
F
)
iiter
=
0
# µSpectre inits
µ
barF
=
np
.
zeros_like
(
µ
F
)
µ
barF
[
0
,
:]
=
1.
+
lam
µ
barF
[
ndim
+
1
,
:]
=
1.
/
(
1.
+
lam
)
µ
barF
[
-
1
,
:]
=
1.
rel_error_t2
(
µ
barF
,
barF
,
strict_tol
)
if
inc
==
1
:
µ
P
,
µ
K
=
self
.
rve
.
evaluate_stress_tangent
(
µ
F
)
rel_error_t4
(
µ
K
,
K4
,
strict_tol
)
µ
F
+=
µ
barF
-
µ
barF_t
rel_error_t2
(
µ
F
,
F
,
strict_tol
)
µ
Fn
=
linalg
.
norm
(
µ
F
)
self
.
assertLess
((
µ
Fn
-
Fn
)
/
Fn
,
strict_tol
)
def
µ
G_K_dF
(
x
):
return
self
.
rve
.
directional_stiffness
(
x
.
reshape
(
µ
F
.
shape
))
.
reshape
(
-
1
)
def
µ
G
(
x
):
return
self
.
rve
.
project
(
x
)
.
reshape
(
-
1
)
µ
b
=
-
µ
G_K_dF
(
µ
barF
-
µ
barF_t
)
abs_error_t2
(
µ
b
,
b
,
strict_tol
)
# because of identical elastic properties, µb has got to
# be zero before plasticity kicks in
print
(
"inc = {}"
.
format
(
inc
))
if
inc
==
1
:
self
.
assertLess
(
linalg
.
norm
(
µ
b
),
strict_tol
)
global_be_t
=
self
.
rve
.
get_globalised_current_real_array
(
"Previous left Cauchy-Green deformation bₑᵗ"
)
# iterate as long as the iterative update does not vanish
while
True
:
# solve linear system using the Conjugate Gradient iterative
# solver
g_counter
=
Counter
()
dFm
,
_
=
sp
.
cg
(
tol
=
cg_tol
,
atol
=
1e-10
,
A
=
sp
.
LinearOperator
(
shape
=
(
F
.
size
,
F
.
size
),
matvec
=
G_K_dF
,
dtype
=
'float'
),
b
=
b
,
callback
=
g_counter
)
µ
_counter
=
Counter
()
µ
dFm
,
_
=
sp
.
cg
(
tol
=
cg_tol
,
atol
=
1e-10
,
A
=
sp
.
LinearOperator
(
shape
=
(
F
.
size
,
F
.
size
),
matvec
=
µ
G_K_dF
,
dtype
=
'float'
),
b
=
µ
b
,
callback
=
µ
_counter
)
err
=
g_counter
.
get
()
-
µ
_counter
.
get
()
if
err
!=
0
:
print
(
"n_iter(g) = {}, n_iter(µ) = {}"
.
format
(
g_counter
.
get
(),
µ
_counter
.
get
()))
print
(
"AssertionWarning: {} != {}"
.
format
(
g_counter
.
get
(),
µ
_counter
.
get
()))
try
:
err
=
abs_error_t2
(
µ
dFm
,
dFm
,
after_cg_tol
,
do_assert
=
True
)
except
Exception
as
err
:
raise
err
# add solution of linear system to DOFs
F
+=
dFm
.
reshape
(
3
,
3
,
Nx
,
Ny
,
Nz
)
µ
F
+=
µ
dFm
.
reshape
(
µ
F
.
shape
)
err
=
rel_error_t2
(
µ
F
,
F
,
strict_tol
,
do_assert
=
True
)
# compute residual stress and tangent, convert to residual
P
,
K4
,
be
,
ep
,
dln
,
dbe4_s
,
K4a
,
K4b
,
K4c
=
constitutive
(
F
,
F_t
,
be_t
,
ep_t
)
µ
P
,
µ
K
=
self
.
rve
.
evaluate_stress_tangent
(
µ
F
)
err
=
rel_error_t2
(
µ
P
,
P
,
strict_tol
)
µ
be
=
self
.
rve
.
get_globalised_current_real_array
(
"Previous left Cauchy-Green deformation bₑᵗ"
)
err
=
rel_error_t2
(
µ
be
,
be
,
strict_tol
)
µ
ep
=
self
.
rve
.
get_globalised_current_real_array
(
"cumulated plastic flow εₚ"
)
err
=
rel_error_scalar
(
µ
ep
,
ep
,
strict_tol
)
err
,
errors
=
rel_error_t4
(
µ
K
,
K4
,
strict_tol
,
do_assert
=
False
)
if
not
err
<
strict_tol
:
def
t2_disp
(
name
,
µ
,
g
,
i
,
j
,
k
,
index
):
g_v
=
g
[:,
:,
i
,
j
,
k
]
.
copy
()
µ
_v
=
µ
[:,
index
]
.
reshape
(
3
,
3
)
.
T
print
(
"{}_g =
\n
{}"
.
format
(
name
,
g_v
))
print
(
"{}_µ =
\n
{}"
.
format
(
name
,
µ
_v
))
print
(
"{}_err = {}"
.
format
(
name
,
np
.
linalg
.
norm
(
g_v
-
µ
_v
)))
return
g_v
,
µ
_v
def
t0_disp
(
name
,
µ
,
g
,
i
,
j
,
k
,
index
):
g_v
=
g
[
i
,
j
,
k
]
.
copy
()
µ
_v
=
µ
[:,
index
]
print
(
"{}_g =
\n
{}"
.
format
(
name
,
g_v
))
print
(
"{}_µ =
\n
{}"
.
format
(
name
,
µ
_v
))
print
(
"{}_err = {}"
.
format
(
name
,
abs
(
g_v
-
µ
_v
)))
return
g_v
,
µ
_v
for
pixel
,
error
in
errors
.
items
():
for
index
,
(
ir
,
jr
,
kr
)
in
enumerate
(
self
.
rve
):
i
,
j
,
k
=
pixel
if
(
i
,
j
,
k
)
==
(
ir
,
jr
,
kr
):
break
if
error
>
1e-4
:
i
,
j
,
k
=
pixel
print
(
"error for pixel {} ({}) = {}"
.
format
(
pixel
,
index
,
error
))
t2_disp
(
"F"
,
µ
F
,
F
,
i
,
j
,
k
,
index
)
t2_disp
(
"be"
,
µ
be
,
be
,
i
,
j
,
k
,
index
)
F_t_n
,
dummy
=
t2_disp
(
"F_t"
,
µ
F_t
,
F_t
,
i
,
j
,
k
,
index
)
print
(
"ep.shape = {}"
.
format
(
µ
ep
.
shape
))
t0_disp
(
"ep"
,
µ
ep
,
ep
,
i
,
j
,
k
,
index
)
K_comp_g
=
K4
[:,
:,
:,
:,
i
,
j
,
k
]
.
reshape
(
9
,
9
)
K_comp_
µ
=
µ
K
[:,
index
]
.
reshape
(
3
,
3
,
3
,
3
)
.
transpose
(
1
,
0
,
3
,
2
)
.
reshape
(
9
,
9
)
F_n
=
F
[:,
:,
i
,
j
,
k
]
be_n
=
be_t
[:,
:,
i
,
j
,
k
]
ep_n
=
ep_t
[
i
,
j
,
k
]
response
=
constitutive_standalone
(
Kmat
[
pixel
],
mu
[
pixel
],
H
[
pixel
],
tauy0
[
pixel
],
F_n
,
F_t_n
,
be_n
,
ep_n
,
3
)
P_gn
,
K_gn
=
response
[
0
],
response
[
2
]
P_
µ
n
,
K_
µ
n
=
PK1_fun_3d
(
Kmat
[
pixel
],
mu
[
pixel
],
H
[
pixel
],
tauy0
[
pixel
],
F_n
,
F_t_n
,
be_n
,
ep_n
)
K_
µ
n
=
K_
µ
n
.
reshape
(
3
,
3
,
3
,
3
)
.
transpose
(
1
,
0
,
3
,
2
)
.
reshape
(
9
,
9
)
print
(
"P_µn =
\n
{}"
.
format
(
P_
µ
n
))
print
(
"P_gn =
\n
{}"
.
format
(
P_gn
))
P_comp_gn
,
P_comp_
µ
n
=
t2_disp
(
"P_comp"
,
µ
P
,
P
,
i
,
j
,
k
,
index
)
print
(
"|P_µn - P_comp_µn| = {}"
.
format
(
np
.
linalg
.
norm
(
P_
µ
n
-
P_comp_
µ
n
)))
print
(
"|P_gn - P_comp_gn| = {}"
.
format
(
np
.
linalg
.
norm
(
P_gn
-
P_comp_gn
)))
print
(
"|P_gn - P_µn| = {}"
.
format
(
np
.
linalg
.
norm
(
P_gn
-
P_
µ
n
)))
print
(
"|P_comp_gn - P_comp_µn| = {}"
.
format
(
np
.
linalg
.
norm
(
P_comp_gn
-
P_comp_
µ
n
)))
print
()
K_gn
.
shape
=
9
,
9
print
(
"K_µn.shape = {}"
.
format
(
K_
µ
n
.
shape
))
print
(
"K_gn.shape = {}"
.
format
(
K_gn
.
shape
))
print
(
"K_comp_g =
\n
{}"
.
format
(
K_comp_g
))
print
(
"K_comp_µ =
\n
{}"
.
format
(
K_comp_
µ
))
print
(
"K_µn=
\n
{}"
.
format
(
K_
µ
n
))
print
(
"K_gn=
\n
{}"
.
format
(
K_gn
))
print
(
"|K_µn - K_comp_µ| = {}"
.
format
(
np
.
linalg
.
norm
(
K_
µ
n
-
K_comp_
µ
)))
print
(
"|K_gn - K_comp_g| = {}"
.
format
(
np
.
linalg
.
norm
(
K_gn
-
K_comp_g
)))
print
(
"|K_gn - K_µn| = {}"
.
format
(
np
.
linalg
.
norm
(
K_gn
-
K_
µ
n
)))
print
(
"|K_comp_g - K_comp_µ| = {}"
.
format
(
np
.
linalg
.
norm
(
K_comp_g
-
K_comp_
µ
)))
break
raise
AssertionError
(
"at iiter = {}, inc = {}, caught this: '{}'"
.
format
(
iiter
,
inc
,
err
))
b
=
-
G
(
P
)
µ
b
=
-
µ
G
(
µ
P
)
err
=
abs_error_t2
(
µ
b
,
b
,
strict_tol
)
# after_cg_tol)
# check for convergence, print convergence info to screen
print
(
'Goose: rel_residual {:10.15e}, |rhs|: {:10.15e}'
.
format
(
np
.
linalg
.
norm
(
dFm
)
/
Fn
,
linalg
.
norm
(
b
)))
print
(
'µSpectre:rel_residual {:10.15e}, |rhs|: {:10.15e}'
.
format
(
np
.
linalg
.
norm
(
µ
dFm
)
/
µ
Fn
,
linalg
.
norm
(
µ
b
)))
if
np
.
linalg
.
norm
(
dFm
)
/
Fn
<
1.e-5
and
iiter
>
0
:
break
# update Newton iteration counter
print
(
"reached end of iiter = {}"
.
format
(
iiter
))
iiter
+=
1
# end-of-increment: update history
barF_t
=
np
.
array
(
barF
,
copy
=
True
)
µ
barF_t
[:]
=
µ
barF
F_t
=
np
.
array
(
F
,
copy
=
True
)
be_t
=
np
.
array
(
be
,
copy
=
True
)
ep_t
=
np
.
array
(
ep
,
copy
=
True
)
µ
F_t
[:]
=
µ
F
self
.
rve
.
save_history_variables
()
if
__name__
==
'__main__'
:
unittest
.
main
()
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