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Contents
Introduction
I.1 Basic concepts in macro-micro modeling
I.2 Historical overview
I.3 Objectives of this monograph
1 Some basics in the mechanics of solid continua
1.1 Kinematics of deformations
1.1.1 Deformation of line elements
1.1.2 Infinitesimal strain measures
1.1.3 The Jacobian of the Deformation Gradient
1.2 Equilibrium/kinetics of solid continua
1.2.1 Volumetric and surfacic postulates
1.2.2 Balance law formulations
1.3 Referential descriptions of balance laws
1.4 The First Law of Thermodynamics/An energy balance
1.5 The Second Law of Thermodynamics/A restriction
1.6 Infinitesimal linearly elastic constitutive laws
1.6.1 The infinitesimal strain case
1.6.2 Material symmetry
1.6.3 Material constant interpretation
xiii
xviii
xviii
xx
1
2
3
4
5
6
8
8
9
11
12
13
15
16
21
vii
viii
CONTENTS
1.7
1.8
22
24
24
26
27
31
31
33
34
35
35
39
40
41
42
42
43
44
45
45
46
47
48
49
50
50
53
55
57
57
58
60
60
63
66
CONTENTS
4.7
4.8
4.9
ix
Post processing
Accuracy of the finite element method
Minimum principles and Krylov methods
4.9.1 Krylov searches and minimum principles
4.10 Exterior and interior augmentations
4.10.1 Properties: exterior/penalty functions
4.10.2 Properties: interior/barrier functions
67
68
70
71
74
75
76
79
79
80
81
83
86
87
89
89
91
94
94
95
96
99
100
100
102
115
115
116
116
118
119
119
120
121
121
122
CONTENTS
6.4
Remarks
123
125
125
127
130
133
134
138
140
140
141
144
149
150
152
152
153
154
155
156
160
162
162
164
165
9 Inelastic responses
9.1 Introduction
9.2 A model problem
9.2.1 Constitutive assumptions: infinitesimal strain
case
9.2.2 A geometrically-nonlinear extension
9.3 A recursive staggering algorithm
9.4 Issues of convergence and staggering error control
9.4.1 Explicit time dependency
9.4.2 Contraction-mapping time stepping control
169
170
171
172
173
174
176
177
179
CONTENTS
9.5
9.6
Numerical Experiments
Multifield extensions
9.6.1 The infinitesimal strain case
9.6.2 A geometrically-nonlinear extension
9.6.3 Multifield staggering
xi
181
185
186
187
187
10 Closing comments
191
11 References
193
Introduction
BASE MATERIAL
ADDITIVES
MACROSCOPIC
STRUCTURE
NEW "MATERIAL"
MIXING
PROPELLOR
Fig. I.1 LEFT: Doping a base material with particulate additives. RIGHT: Typical loose
particulate additives.
A key to the success of many modern structural components is the tailored behavior of the material. A relatively inexpensive way to obtain macroscopically desired
responses is to enhance a base matrix properties by the addition of microscopic matter,
i.e. to manipulate the microstructure. Accordingly, in many modern engineering designs, materials with highly complex microstructures are now in use. The macroscopic
xiii
xiv
INTRODUCTION
Fig. I.2 Left to right and top to bottom: (1) Ductile iron ( 100), (2) Aluminum matrix with
silicon-carbide particles ( 250), (3) Titanium-aluminum alloy ( 450), (4) Silver matrix with
copper inclusions ( 500), Source: The American Society for Metals [122].
INTRODUCTION
xv
Fig. I.3 Left to right and top to bottom: (1) Aluminum alloy reinforced with boron( 250),
(2) Aluminum alloy ( 250), (3) Zinc alloy ( 1000), (4) A cross-section of concrete ( 1.5).
Micrograph (1) is reprinted with permission of The Metalurgical Society, Warrendale, PA,
USA. For micrographs (2) and (3) Source: The American Society for Metals [122]. For
micrograph (4) Source: Van Vlack [181].
fine spatial discretization mesh, for example that of a finite element mesh, would be
needed to capture the effects of the microscale heterogeneities. The resulting system
of equations would contain literally billions of numerical unknowns. Such problems
are beyond the capacity of computing machines for the forseeable future. Furthermore, the exact subsurface geometry is virtually impossible to ascertain throughout
the structure. In addition, even if one could solve such a system, the amount of
information to process would be of such complexity that it would be difficult to extract any useful information on the desired macroscopic behavior. It is important to
realize that solutions to partial differential equations, of even linear material models, at infinitesimal strains, describing the response of small bodies containing a few
heterogeneities are still open problems. In short, complete solutions are virtually
xvi
INTRODUCTION
Fig. I.4 LEFT: Pearlite ductile iron with matrix etched away to show secondary graphite,
and bulls eye ferrite, around primary graphite nodules ( 475). RIGHT: Ductile iron, graphite
nodules (spherulites) encased in envelopes of free ferrite, all in a matrix of pearlite ( 100).
Source: The American Society for Metals [122].
ACTUAL STRUCTURE
STRUCTURE WITH
EFFECTIVE PROPERTIES
EFFECTIVE
PROPERTIES
DETERMINED
EI
(1)
EI
(2)
INTRODUCTION
xvii
L1
L2
L3
L1 >> L2>> L 3
xviii
INTRODUCTION
the microscale, containing parameters that are physically meaningful. In other words,
the phenomenological aspects of the material modeling are reduced, with the burden
of the work being shifted to high performance computational methods. Stated clearly,
the "mission" of computational micro-macro mechanics is to determine relationships
between the microstructure and the macroscopic response or "structural property" of
a material, using models on the microscale that are as simple as possible. 1
the following quote, attributed to Albert Einstein: "A model should be as simple as possible,
but not simpler", is a guiding principle.
2 By direct extension, we are interested in "!$#&% vs "'(#% in the materially nonlinear/geometrically linear
range, or the appropriate conjugate pairing in the geometrically nonlinear range, such as *)+#,%.- vs 0/1#%2or 031#%.- vs *45#%.- , etc ..., where 3 and ) are the First and Second Piola Kirchhoff stresses, / is the
Right Cauchy-Green strain, 4 is the deformation gradient and where 6+7 is the initial reference volume.
HISTORICAL OVERVIEW
xix
xx
INTRODUCTION
1
Some basics in the
mechanics of solid continua
Throughout this work, boldface symbols imply vectors or tensors. For the inner
product
of two vectors (first order tensors) and we have in three dimensions,
, where Cartesian bases and Einstein index
summation notation is used. At the risk of over simplification, we will ignore the
difference between second order tensors and matrices. Furthermore, we exclusively
employ a Cartesian bases. Readers that feel uncomfortable with this approach should
consult the wide range of texts which point out the subtle differences, for example the
texts of Malvern [118], Marsden and Hughes [119] or others listed in the references.
Accordingly, if we consider
(1.1)
then a first order
of two matrices
tensors)
"!$(two
contraction
102(inner
3 , product)
#%!& second
( ,') *& order
is defined by
with components of
, where
it is
clear that the range of/
the
inner
index
+
must
be
the
same
for
and
.
For
.
three
dimensions
+
.
The
second
order
inner
product
of
two
matrices
4! # 4! 658729: ,B*;< D =C ?> . The divergence of a vector (a contraction to isa
scalar) is defined
a second order tensor (a contraction to a
@A of, whereas
"!C ! . Thefor gradient
E hasbycomponents
vector) @A
of a vector (a dilation to a second
DC ! , whereas
order tensor) is @FAGIHKJGLNM
OQPRKOQSTU SWVLXOGY
for a 4second
tensor (a
!C :C & . Theorder
dilation to a third order tensor) @A
gradient of a
Z
H
Q
J
N
L
M
Q
O
F
P
R
G
O
Z
S
U
T
W
S
V
N
L
G
O
Y
scalar (a dilation to a vector): @AW[HZJQL%M
OQPRKOQSTUSWVLXOGY
[ . The scalar product of
two second order tensors, for example the gradients of first order vectors, is defined
102:3
D
C
!
C
!
!
/
.
, where
! are
as - +
, @
@
A
A
! are the Cartesian components of
partial derivatives
of and , and where
D
C
!
and and @FAG
has components of
in Cartesian bases.
2
X3 x3
u+du
dx
dX
X+dX
P
X
O
X2 x
X1 x1
Fig. 1.1 Different descriptions of a deforming body.
9 5 >
9 5 >
!9 5 >
9! 5 > 9 9 5 > 5 > 5 5#"
The term deformation refers to a change in the shape of the continuum between
a reference configuration and current configuration. In the reference configuration,
a representative particle
of the continuum occupies a point in space and has the
position vector
(Figure 1.1), where
is a Cartesian reference triad, and
(with center ) can be thought of as labels for a
point. Sometimes the coordinates or labels
are called the referential
coordinates. In the current configuration the particle originally located at point is
located at point
can be expressed also in terms of another position vector , with
the coordinates
. These are called the current
coordinates. It is obvious
with this arrangement, that the displacement is
for a point originally
at
and with final coordinates . When a continuum undergoes deformation (or
flow), its points move
along various paths in space. This motion may be expressed by
, which gives
the present
location of a point that occupied the position
at time
, written
in terms of the labels
. The previous position vector may be interpreted
as a mapping of the initial configuration onto the current configuration. In classical approaches, it is assumed that such a mapping is a one-to-one and continuous,
KINEMATICS OF DEFORMATIONS
9 5>
9 5> 9 5>
@
@
@FA
A
A A
A
A
A
A
A A
A A
A
A
A
A
A A
A
and
with respect to
,and
@FA
(1.2)
(1.3)
where
is known as the material deformation gradient, and
is known as the
spatial deformation gradient.
Now,
consider
the
length
of
a
differential
element
in the
reference
configuration
and
in
the
current
configuration,
. Taking the difference in the magnitudes of these elements yields
9 @
Q9 ;
@ A
> Q9 @
>
> 0
(1.4)
and
9 @FA > G9 @ 0 A
Q9 ; >
>
(1.5)
9 ;
defined as
9
(1.7)
9 >
In a similar manner as for the Lagrangian strain tensor, the Eulerian strain tensor can
be defined in terms of the so-called left Cauchy-Green strain,
,
.
F-1
REFERENCE
CURRENT
Fig. 1.2 Mapping back and forth with the deformation gradients.
1.1.2
symbol used for infinitesimal strains. Furthermore, to avoid confusion, when using
models employing the geometrically linear infinitesimal strain assumption we use the
or subscript.
symbol of with no
KINEMATICS OF DEFORMATIONS
(3)
dX
dX
(2)
dX (1)
(3)
dx
dx
(2)
(1)
dx
1.1.3
$5
, is defined as
AA
A
AA
A
AA
A
(1.8)
&
,
,
where
and
(Figure
1.3)
is
given
by
,
. The current differential element is described by
and
, where
is a unit vector, and
Q9
&
>
"
&
AA
AA
A
A
AA
A
(1.9)
Therefore,
. Thus, the Jacobian of the deformation gradient must remain
positive definite, otherwise we obtain physically impossible negative volumes.
We
start with the following postulated balance law for an arbitrary part of a body ,
, around a point P, with boundary
(Figure 1.4)
,
, (
,
G5
(1.10)
,
where is the material density, is the body force per unit mass (
) and
is the time derivative of the displacement. When the actual molecular structure is
considered on a sub-microscopic scale, the force densities, , which we commonly
refer to as surface forces, are taken to involve short-range intermolecular forces.
Tacitly we assume that the effects of radiative forces, and others which do not require
momentum transfer through a continuum, are negligible. This is a so-called local
action postulate. As long as the volume element is large, our resultant body and
surface forces may be interpreted as sums of these intermolecular forces. When we
pass to larger scales, we can justifiably use the continuum concept.
X2
(3)
(1)
SIDE VIEW
X3
(2 )
X1
1.2.1
Consider
a tetrahedron
1.5.
From
Newtons laws,
in equilibrium,
as shown
in Figure
, where
is the surface area of the face of the tetrahedron with normal , and
is the
tetrahedron volume. Clearly, as the distance between the tetrahedron base (located
at
(0,0,0)) and
the surface center, denoted , goes to zero,
we
have
, and
. Geometrically, we have
"!
therefore
. It is clear
that forces on the surface areas could be decomposed into three linearly independent
components. It is convenient to express the concept of stress at a point, representing
the surfacic forces there, pictorially represented by a cube surrounding a point. The
fundamental issue that must be resolved is the characterization of these surface forces.
We can represent the force density vector, the so-called "traction", on a surface by the
$#
#
#
component representation:
, where the first index represents
the normal to corresponding coordinate plane, and the second index represents the
direction of the component. From this point forth, we will drop the superscript
notation of
, where it is implicit that
or explicitly
W9
Q9 >
> W9 > W9 >
9 > ;
N;
=?>
where
1.2.2
-+0
% &213(/.
% &4($.
10
%&')(+*,%&-$(/.
>
-3>
*,57698;:<*
>
>
4B-
>
-$1
>
1@-
131
=
.
1A4
>
41
-/4
>
434DC
(1.11)
4DCE
,
,
(
,
Q5
9
GF
,
"
(1.12)
A relationship can be
determined
between
thedensities
in the current and reference
configurations,
.
Therefore,
the Jacobian can also
densities
at a point. Since the
be interpreted as the ratio
of
material
volume is arbitrary,
we can assume
that
holds
at
every
point
in
the
body.
Therefore,
we may write
,
when
the
system
is
mass
conservative
over
time.
This leads to
H
B
H
B
IKJ
writing the last term in Equation 1.12 as B H
H
B
and an implicit assumption
that is
. From Gausss Divergence
theorem,
L!
differentiable, we have
. If the volume is argued as
being arbitrary, then the relation in the integral must hold pointwise, yielding
9 $" >
9 >
"
9 @FA
@A
>
"
(1.13)
33
22 21
23
12
32
11
31
13
X2
X1
X3
N;
:
=?>
% &'(+*
% & -$($.
-B0
%&213(/.
1 0
%&4(/.
4
*,5
8 :
>
-3>
*
>
1@4B-
>
-$1
>
>
131
41
-/4
>
>
1A4
434DC
=
.
*,5
8 :
(1.14)
10
n0
da 0
da
-1
UNDEFORMED
DEFORMED
9
the so-called Nanson formula. Knowing this, we now formulate the equations of
equilibrium in the current or a reference configuration.
Consider two surface elements, one on the current configuration, and one on a
reference configuration. If we form a new
kind of
stress
tensor,
call it , such thatthe
amount of force is the same
we
have
which implies
. The tensor is called the first Piola-Kirchhoff
stress, and gives the actual force on the current area, but calculated per unit area of
reference area. However, it is is not symmetric, and this
sometimes
causes
difficulties
in an analysis.
Therefore,
we
symmetrize
it
by
. The tensor
is called the second Piola-Kirchhoff stress. By definition
we have , and thus
; 9 $5 >
"
"
;
) * (
'
,+
! # "%$&
- /. 0 ' ,* + (
1
! 2"%$3 1
-
7 0
7 0
; 9 $5 >
and therefore
" "
; 9 $5 ,>
" "
(1.15)
(1.16)
Since
, control volume is arbitrary, we have
- . 3 ' , * + (
8
11
-.
"
1
-
"
' , * + (
*
H
B
(1.17)
9 >
!"$#%'&((
'
*
'
*
"
which implies
. Therefore,
energy balance leads to
,+ ' * ( &* (
2
"
' * ( * (
,
+
,+ ' * ( * (
' *( *
2
'
7*)
' , + * ( * (
(1.19)
We also have
,+ ' ,+ '
76
D*
'
,
+
(1.18)
E
54
@A
!+-,.+-"/&
01%'&((
*
7 0
7 0
' (
6
(1.20)
12
5
8K:
* ( -
$
-
*(
D*
8K5
*(
8
- * (
5
(1.21)
6
8;5
(1.22)
' (
- *( -
'
8
(1.23)
In later chapters dealing with multifield problems, this equation will be dealt with
more extensively.
Remark: Through similar arguments as above, one can reformulate the First Law
of Thermodynamics in the reference configuration as
where
"
(
' (
;.
7
-.
'
7
8
*
(1.24)
E
!
Q5
(1.25)
In other words, the time rate of change of entropy in the body is no less than the entropy
input into the body.
The last expression
be recast
forms. We
can
in various
useful
have B H
. Furthermore,
H B
- B H
by the divergence theorem we have
. Inserting these
"
1 Loosely
9 ">
"
@A
13
' ( ' -
(1.26)
@FA
9 @FA >5 , we obtain 9 @ A
@
A
9
>
>
we obtain
@F A . Employing
the
First
Law
of
Thermodynamics,
>
9
@ A / @FA . An unchallenged physical observation is that,
in the absence
of external input, heat flows from a region of higher temperature to
that of a lower
temperature,
hot to cold, i.e. heat never flows
against
the temperature
. Thus if Fouriers law
is
used
that
gradient, @A
@
A
F
@
A
must be positive definite. Since @A , we have implies
F
@
A
@ A 9 @ A >
9 @ A >
When
@ A then we
or
.
@ A or / @ A , either of which is referred
have
to as the Clausius (1854)-Planck (1887) inequality. Such inequalities can be used
By expanding
"!
14
FORCE
K
SEPARATION
0.25r
1.25r
Fig. 1.8 The atomic bond force as a function of atom separation.
MUP
MUP
M P
"
"
"
2 Concrete
"
"
"
"
15
o
GAGE
LENGTH
1.6.1
Initially we discuss relationships between the stress and strain, so-called material laws or constitutive relations for geometrically linear problems (infinitesimal deformations). Accordingly, if we neglect transfer of heat and production of
, which in the infinitesimal strain linheat, Equation 1.23 implies
early elastic
case
is
.
From
the
chain rule of differentiation we have
.
The
starting point to develop a constitu
H
tive theory is to assume a stored elastic energy function exists, a function denoted
on the mechanical deformation. The simplest func
only
, which depends
tion that fulfills
is
. Such a function satisfies the intuitive
physical requirement that, for any small strain from an undeformed state, energy must
be
stored
in the material.
Alternatively,
a small
strain material law
can be derived
from
and
which
implies
.
We are free to set
(it is arbitrary) to have zero strain energy at zero strain,
"!
and furthermore we assume that no stresses exist in the reference state (
), we
obtain the familiar relation
"
"
@A
16
(1.27)
This is a linear (tensorial) relation between stresses and strains. The existence of
a strictly positive stored energy function at the reference configuration implies that
the linear elasticity tensor must have positive eigenvalues at every point in the body.
Typically, different materials are classified according to the number of independent
constants in . A general material has 81 independent constants, since it is a fourth
order tensor relating 9 components of stress to strain. However, the number of constants can be reduced to 36 since the stress and strain tensors are symmetric. This is
easily seen from the matrix representation of :
Z
#
#
#
#
#
#
::
:
:
:
:
00 ::
0 :
(1.28)
The symbol is used to indicate standard matrix notation equivalent to a tensor
form, while
to
indicate vector representation. The existence of a scalar energy
function
forces
to be
symmetric
since
the
strains
are
symmetric,
in other
words
which
implies
. Consequently,
has only 21 free constants. The nonnegativity
of
imposes the restriction that
remain positive definite. At this point, based
on many factors that depend on the material microstructure, it can be shown that the
components of may be written in terms of anywhere between 21 and 2 independent
parameters. We explore such concepts further via the ideas of elastic symmetry.
1.6.2
> ; ;
; ;
Material symmetry
8
) )8
,
17
X3
X3
X1
^
X2
X2
REFLECTION
X1
X3
X3
X2
^
X1
X2
ROTATION
X1
1
::
:
(1.29)
axis
9 > . . .
(1.30)
18
STEP 2: Transform the stress and strain tensors with the same transformation,
but for second order tensor rules:
.
6
. . . . .
#
(1.31)
and thus
#
#
#
#
#
#
(1.32)
.
6
. . :: . . .
and also
::
Also,
::
::
(1.33)
(1.34)
>
>
and
>
>
-3>
131
434
>
>
>
-$1
1A4
4B-
*
131
434
>
-3>
>
-$1
>
1A4
4B-
13131A4
4341A4
434B-/4
-$1@-$1
-$131A4
-$1@-/4
1A43434
1A4B-$1
-/43434
131@-/4
-3-3-/4
-/4131
(1.35)
E
434B-$1
-$1A434
1A4131
-3-$1A4
1A4
4B-
4343434
-$13131
1A4B-3-
-$1
>
131@-$1
>
434131
-$1@-3-
434
131A434
434B-3
131
1313131
>
-3>
-3-3-$1
131@-3-
>
>
-3-/434
-/4B-3-
-3-$131
-3-3-3-
1A41A4
-/4B-$1
1A4B-/4
-/41A4
-/4B-/4
131
434
-$1
1A4
-3
4B-
(1.36)
19
STEP 4: Put everything in terms of the original variables, which implies that
the constitutive law must be the same as before,
if the plane was a plane of
symmetry, and thus the tensor relating and is :
-3-$131
1313131
-/4B-3-
-$1A434
1A4131
-/4131
1A43434
131@-$1
13131A4
-$131A4
1A4B-$1
-/4B-$1
434B-/4
-$1@-$1
131@-/4
4341A4
-/43434
434B-$1
1A41A4
-3-3-/4
-$13131
1A4B-3
4343434
-$1@-3
434131
-3-$1A4
131A434
-3-3-$1
131@-3434B-3-
-3-/434
-3-3-3
-$1@-/4
1A4B-/4
(1.37)
-/41A4
-/4B-/4
STEP 5: All components that are not equal before and after the reflection of
axes are zero:
#
#
0
00
(1.38)
The end result is a Monoclinic material, i.e, one plane of elastic symmetry (
plane)(13 free constants)
or (
(1.39)
::
(1.40)
The basic procedure is the same, for reflectional symmetry, rotational symmetries, etc.
What follows is a catalog of commonly referred to materials of various symmetries.
20
Two mutually perpendicular planes of symmetry reduce the material symmetry to nine
free constants, known as an orthotropic material. It also has a third mutually perpendicular plane of symmetry as a consequence, without changing the number of elastic
constants. In other words, if one were to reflect a reference frame located at a material
point (rotate by 180 degrees) the properties are the same. Accordingly, for an orthotropic
material, there are two planes of symmetry (nine free constants)
"
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In addition, if there is one plane in which the material properties are equal in all directions, there are only five free constants and the material is termed transversely isotropic.
Accordingly, for transversely isotropic material: two planes of symmetry and one plane
of directional independence (five free constants)
"
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Cubic materials have two planes of symmetry and two planes of directional independence, and can be shown to have three free constants. Accordingly, for a cubic material:
two planes of symmetry and two planes of directional independence (three free constants)
and
"
-3-3-3-
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Finally, if there are an infinite number of planes where the material properties are equal
in all directions, there are two free constants, the Lame parameters, and the material
is of the familiar isotropic variety. An isotropic body has material properties that are
the same in every direction at a point in the body, i.e., the properties are not a function
of orientation at a point in a body. Accordingly, for isotropic materials: two planes
of symmetry and an infinite number of planes of directional independence (two free
constants),
21
"
*
4
1
4
1
4
4
(1.44)
+
*
3
0
+
+
31
3
0
(1.45)
E
*
*
- .
where
and
; 8 ; .
8 ;
ZZ
#
#
#
#
#
< )
8 ; /
0
00
"!
(1.46)
$#
1.6.3
%
&%
&%
'
There are a variety of ways to write isotropic constitutive laws each time with a
physically meaningful pair of material constants.
22
9
>
5
9 @ >
AA
A
AA
A
AA
A
$5
$5
9 @ % >
9.
.
.
. 587 G58>7 @ "
9 @
587 >
(1.48)
. 85 7
and expanded as
, and therefore
with infinitesimal strains
- .
with
the
volumetric
part
of
the
deformation.
Furthermore,
Hence, is associated
H
, the so-called strain deviator can only affect the shape of a
since
differential element. In other words, it describes distortion in the material.
5872589 7 >
1.6.3.2
Associated infinitesimal strain linearly elastic material
The
laws
H
stress
can
be
split
into
two
parts
(dilatational
and
a
deviatoric):
>
587
, which implies
587 .
of Hookes law is
H
: :
0
587
:
:
To interpret
the constants,
consider
a uniaxial test where
G
#
#
#
,
. Under these conditions we have
. Therefore, , the so-called Youngs modulus, is the ratio
and
of the uniaxial stress to the corresponding strain component. The Poisson ratio, , is
the ratio of the transverse strains to the uniaxial strain.
Another
commonly
used set of stress-strain
forms are the Lame relations,
or
. To interpret the constants, consider a
#
#
#
#
#
#
pressure test where
, and where
. Under
,
and
. We
these conditions we have
implies
observe that
which implies that
, and
.
Therefore, from the fact that both and must be positive and finite, this implies
and
. For example, some polymeric foams exhibit
,
steels
, and some forms of rubber have
. However, no restrictions
arise on , i.e. it could be positive or negative.
. 3
1.6.4
587 :
.
Consequences of positive-definiteness
With a positive-definite linear elastic material law, at infinitesimal strains, the solution
is unique, in other words, there exists only one solution. To see this, let us first suppose
that there were two solutions that satisfy equilibrium
8
-*
& -$(
'*
*
& -$(
&"
$
8
-*
&213(
'*
*
&213(
(1.49)
E
23
>
, inte1.6.4.1 Elastostatic case Multiplying each equation by
grating over the volume, using the divergence theorem, and subtracting each equation
from one another we obtain
- *
*
& -$(
- *
&13(
& -$(
*
&213(
*
5
& -$(
.
&213( +8
& -$(
*
&213( +8;:
(1.50)
The integral on the right vanishes since the tractions from both solution must be the
same value on the traction specified boundary, and zero on the displacement part of the
boundary since the solutions are the same on the displacement part
of the boundary.
Since the domain is arbitrary, the integrand must vanish. Since is
definite
"
!
positive
the integrand can only vanish if the solutions are the same, i.e.
. For
completeness, we discuss the elastodynamic case.
>
1.6.4.2
case As in the static case, multiplying each equation
Elastodynamic
by
, integrating over the volume, using the divergence theorem, and
subtracting each equation from one another we obtain
- *
*
&-$(
&213(
- *(
& -$(
* (
&13(
'*
4
& -$(
*
&213(
$
8
*(
& -$(
* (
&213(
*
(1.51)
5
>
>
9
9
@
@
0
9 > W9 >
(1.52)
We have that
>
9 >
@
(1.53)
9 > G9 > '
'
' , and thus the integral is equal to zero
where is a constant. The constant
@9
because the initial and boundary conditions are the same for both solutions. Since
the domain is arbitrary, the integrand must vanish. Since
is positive definite,
is positive, and the fact that both are independent of one another,
the
implies
that
!
integrand
vanish if the solutions are the same, i.e.
and
can
"only
!
.
24
H
H
G5 O
"
0.
" "
" G5
-
"
"
-
"
Q5
G5
(1.54)
"
0
1.7.1
H
H
3Z
0
(1.55)
.$>
9
>
In addition to being
material
frame
stored energy
function
invariant,
any
must
obey
4
criteria: (1)
, where
"!
are the principal invariants of , (2) , (3)
for
and (4) the material
constants in a finite deformation material law must
give
responses
with
known material
&
constants, for example in the isotropic case,
and , when perturbed
around
the undeformed configuration (see Ciarlet [24] for more details). Condition
implies that the material constants in a finite deformation material law must be
adjusted so that they give hyperelastic responses with known Lame constants, and
9 >
>
G5
25
, when perturbed around the undeformed configuration, thus matching the simplest
(moderate strain) hyperelastic law, the Kirchhoff-St. Venant3
0
9 >
(1.56)
For illustration purposes, consider a somewhat general standard form for a stored
energy function, , function as follows:
> 9
3 0
> 9
.$>
(1.57)
0
0
9
9
>
9
=>
>
(1.58)
))
3 One
)
*,+
1
2
*
*
)
)
E
!!#!%$
&
.-
! & !!#!%$
&
*"!!#!%$
&
*!#!#!%$
&
1
E
('
)
*'
E
*!
&
))
*'
198
'
E
*"!!#!
& '
$ E
(1.59)
can alternatively write the equation in terms of the bulk 1325476 4 and shear moduli : . In general
a constitutive law of the form )"2<; =?>%= is known as a Kirchhoff-St. Venant material law. It is the
simplest possible finite strain law which is hyperelastic and frame indifferent.
26
where
B587
9
>
(1.60)
The first three conditions for an admissible energy function are satisfied by construction leading to
> 9 0 9
>
0
9
=
3 3
> >
0 0
0 (1.61)
9 > .
yields
which when evaluated at
,) is also automatically satisfied. What
Therefore, condition ( ) (
for
9
9 9
9 ,89 =>
9
9 => >8
9 9 .
> => 9 9 =>
9 9 => >
9
>
/
= >
(1.62)
9 587 0 =
>
9 $>
0 0
9 9 > U >
27
Allowing
, and equating coefficients of the
tangent relations implied in Equa
tion
1.56
and
1.62,
we
have
from
,
which implies
,
and
from
,
.
Therefore,
the
coefficients
must
obey
, and we have in the general case
*
-
! &
.
0
-
!#! &
0
!#!#! &
2 31
(1.63)
3
*
! &
.
3
!#!! &
2 31
(1.64)
Remark: The
Cauchy stress can be split in the following manner,
H
where
, and thus
2 4
$ - !
6
4
$ 6
$ -
2 4
!
4
$ 6
$ -
6
/
(1.65)
)
2
Since
2
6
/
2!
2
/
6
6"#
/
/
$ -
(1.66)
)$
32
&%
2
('*)+
(1.67)
;
28
G5
/,
(1.68)
thus,
. The concept of objectivity under rigid body motions is central to
the construction of reliable constitutive relations. In this context, objectivity can be
used by studying the effect of rigid motions superposed on existing deformations. An
important example of a nonobjective tensor is the temporal derivative of the Cauchy
stress,
9
,
;>
G5
&,
"!
,
,
,
;
; (1.69)
,
Thus, unless
, it is not objective. The application of such concepts to constitutive relations is straightforward. Our goal is always to employ constitutive relations
that transform consistently, i.e. their character does not change under superposed
rigid
body motions. Consider the definition of the deformation gradient,
.
Superposed rigid motions leads to
Q9
.,
>
(1.70)
since
0. 9 ;
;
&,
> 0. 9 9 > ;
,
> 0. 9 ;
>
(1.71)
9
; > *9 ; ; >
> *9
,
( ,
,
( ,
;
(1.72)
Therefore, a constitutive law such as the Kirchhoff-St. Venant law
, is
said to be
frame-indifferent,
since
it
employs
a
objective
stress
and
strain
measures,
i.e.
We note that simply because a strain of stress
measure employs quantities such as the deformation gradient in its definition, does
not mean that it will remain unaltered under rigid motions, for example, take the
Almansi (Eulerian) strain
0. 9
;
>
0. 9
>
+,
0,
+,
; (1.73)
8
29
8 8
,
, where is a
which implies
transformation matrix, and
where
is
used
to
indicate
matrix
notation equivalent
to indicate a vector representation. Frame indifference
to a tensor form, while
,
requires that
,
and thus
. This relation holds only if
is isotropic.4 However, such a relation is only elastic, i.e. the deformation is
only a function of the deformed state, and not hyperelastic, i. e. it is not derivable
from a differentiation of a potential energy function. It is said to be Cauchy-elastic.
Hyperelastic constitutive relations, those derived from scalar energy
functions em
ploying objective strain measures, such as Kirchhoff St. Venant,
or Compressible Mooney Rivlin materials, which employ the principle invariants
of , are automatically frame indifferent. The simple Kirchhoff-St. Venant and
Almansi/Eulerian laws are extremely useful in applications where there are small or
moderate elastic strains, and large inelastic strains. For finite deformations with mod
erate elastic strains (
), the constitutive laws discussed yield virtually identical
responses. Consider
8
9 ; > 9 > ;
Kirchhoff-St. Venant
,0
9 ; > 3
3
9
>
9
>
Compressible Mooney-Rivlin
0 9 . >
9 > , with a special case of a Neo-Hookean material being .
Eulerian
,
.
6
.
. .
.
(1.74)
3
The responses are shown in Figure 1.11. The relative
proximity
of
these
relation
9 > ; 9 @ > and 9 @ A > ;
should
a surprise for under
strains since @
9 @ A > notare besmall.
4 The
30000
20000
EUL.
K-ST.V.
COMP. N.-HK.
C. MN.-RIV.
10000
-10000
-20000
-30000
-0.1
-0.08
-0.06
-0.04
-0.02
0
0.02
0.04
GREEN-LAGRANGE STRAIN
0.06
0.08
0.1
0.12
0.08
0.1
30
4000
EUL.
K-ST.V.
COMP. N.-HK.
C. MN.-RIV.
2000
-2000
-4000
-6000
-0.1
-0.08
-0.06
-0.04
-0.02
0
0.02
GREEN-LAGRANGE STRAIN
0.04
0.06
2
Fundamental weak
formulations
In most problems of mathematical physics the true solutions are nonsmooth, i.e. the
strains and the stresses are not differentiable
in
the classical sense. For example in
,
!
the equation of static equilibrium
, there is an implicit requirement that
the stress was differentiable. 1 In many applications, this is too strong a requirement.
Therefore, when solving such problems we have two options: (1) enforcement of
jump conditions at every interface or (2) weak formulations (weakening the regularity
requirements). Weak forms, which are designed to accommodate irregular data and
solutions, are usually preferred. Numerical techniques employing weak forms, such
as the Finite Element Method, have been developed with the essential property that
whenever a smooth classical solution exists, it is also a solution to the weak form
problem. Therefore, we lose nothing by reformulating a problem in a weaker way.
However, an important feature of such formulations is the ability to allow natural
and easy approximations to solutions in an energetic sense, which is desirable in
framework of mechanics.
9@ >
1 Throughout this chapter, we consider only static linear elasticity, at infinitesimal strains, and specialize
approaches later for nonlinear and time dependent problems.
31
32
9@
>
@
9 > 9 @ %> @
@
9
9
>
%
>
@
@
@
@
* *
+-"
%
&
- *
E
*
(
#
/&
#
E
0
&
(2.1)
This is
called a weak form because it does not require the differentiability of the
stress . In other words, the differentiability requirements have been weakened. It is
clear that we are able to consider problems with quite irregular solutions. We observe
33
that if we test the solution with all possible test functions of sufficient smoothness,
then the weak solution is equivalent to the strong solution. We emphasize that provided
the true solution is smooth enough, the weak and strong forms are equivalent, which
can be seen by the above constructive derivation. To see this a bit more clearly, we
consider a simple example.
2.1.1
An example
9 >
7
7 ' " 9 N>
7 7
7$ "
"
A B' 9 N>
A ' 9 N> ' 9 N>
' 9 N>
=' 9 N>
Let us define
a one-dimensional
continuous function
5
, on& a one-dimensional
domain,
.
Our
claim
is
that
,
, which implies
. This can be easily proven by contradiction. Suppose
at some point
. Since , there must exist a subdomain (subinterval), , defined
through ,
such that has the same sign as at point . Since is arbitrary,
we may choose to be zero outside
of
this interval,
and positive inside (Figure 2.2).
This would imply that
which is a contradiction. Now
select
. Therefore,
for example in one-dimensional infinitesimal
strain
linear
elasticity
the
equivalence
of weak and strong forms occurs if
.
Remark: For the general case of geometrical
and &material
nonlinearities, the
#
equivalence of weak and strong forms occurs if
.
r
v
0
34
2.1.2
Some restrictions
A key question is the selection of the sets of functions in the weak form. Somewhat
naively, the answer is simple, the integrals must remain
finite. Therefore the following
restrictions hold ( ),
,
and
, and govern the selection of the approximation spaces. These relations simply
mean that the functions must be square integrable. In order to make precise statements
one must have a method of book keeping. Such a system is to employ so-called
Hilbertian Sobolev spaces. We recall that a norm has three main characteristics
for
1"
" "
" 1"
,
"
if
and
such
that
and
are
(1)
any vectors
!
and only if
, (2) "
"
"
" and (3) "
" " , where
is a
scalar. Certain types of norms, so-called Hilbert space norms,
are
frequently
used
in
solid mechanics. Following standard notation, we denote
as the& usual space of
scalar functions with generalized partial derivatives of order
in
, i.e. square
1
integrable, in other words
if " "
@
9 N. > 9 N>
A
A
9 N>
. We define 9 N> 9 N> 9 N>8 as the space of vector-valued functions whose
components are in
, i.e.
9
N
>
Y
!
!
(2.2)
9 N> 9 N>8 . Using these definitions, a complete weak boundand we denote
ary value problem
can be written
follows. The data (loads) are assumed to be such
9 N> and
9 as> , but
9 N> without
that
less smooth9 Ndata
> andcan be considered
complications. Implicitly we require that
without con
&
&
&
"
&
&
&
tinually making such references. Therefore in summary we assume that our solutions
obey these restrictions, leading to the following infinitesimal strain linear elasticity
weak statement:
*
+-"
- *
*
(
#
/&
#
E
-
(2.3)
We note that if the data in (2.3) are smooth and if (2.3) possesses a solution that is
sufficiently regular, then is the solution of the classical linear elastostatics problem
in strong form:
@ Q9 @ >
9 @ >
"!
(2.4)
2.1.3
35
9
> 0
9 > 9 > 0 9 > 0
9 > 9 > 0 9 > 9 >
9 > 9 > 0 9 >
9 > 0 9 > 9 > 0
0 9 > 0 9 > 9 9 > 9 > >
9 > 9 >
(2.5)
9 > 9 > 9 > @
where we define the elastic potential
@
. This implies
0
9 9 > 9 >:> 7 9 > 9 >
(2.6)
"
"
"
"
D
where Equation 2.6 is known as the Principle of Minimum Potential Energy (PMPE).
In other words, the true solution possesses the minimum potential.
The minimum property of the exact solution can be proven by an alternative
technique. Let us construct a potential function, for a deviation away from the exact
solution , denoted
, where
is a scalar and is any admissible
variation
(test function)
. If we differentiate with respect to ,
, and set
, because
, we have
we know
that the exact
solution
is for
. This is sometimes referred to as
the Euler-Lagrange equation of the potential. Clearly, the minimizer of the potential
is the solution to the field equations, since it produces the weak formulation as a
result. This is a minimum since
. It is
important to note that the weak form, derived earlier, requires no such potential, and
thus is a more general approach than a minimum principle. Thus, in the hyperelastic
case, the weak formulation can be considered as a minimization of an potential energy
function. This is sometimes referred to as the Rayleigh-Ritz method.
>
@
2.1.4
$
9
@
>
36
+"
8K5
%
&
)5
5
$ -
*
8;:
E
*
8;:
8
(
#
/& #
*,%
&
8
8K:
*
(2.7)
This is called the complementary form of Equation 2.1. Similar restrictions are placed
on the trial and test fields to force the integrals to make sense, i.e. to be finite. Similar
boundedness restrictions control the choice of admissible complementary functions.
In other words we assume that the solutions produce finite energy. Despite the apparent simplicity of such principles they are rarely used in practical computations
because of the fact"that
it is very hard to find even approximate functions, , that
!
satisfy
.
5
&
"
% (
5
$ -
5
'
*
5
(2.8)
,
9
> 0
,9 %> ,9 > 0 ,9 > 0
,9 > ,9 %> 0 ,9 > ,9 %>
,9 > ,9 %> 0 ,9 %>
,9 > ,
0 9 %> 9 %>0
,
90 > 0 9 > 9,9 % > 9 %> >
9 > 9 %>
(2.9)
9 > ,9 > 9 >
0 9 9 > 9 %> > 7 9 > 9 >
(2.10)
"
where
we define
. Therefore,
"
37
9 > 9
>
0.
@
.0
@
(2.11)
3
Fundamental micro-macro
concepts
As stated in the introduction, it is clear that for the relation between averages to
be useful it must be computed over a sample containing a statistically representative amount of material. This requirement can be formulated in a very precise
mathematical way, which has a clear physical meaning. A commonly accepted
macro/micro
criterion
used
in effective
property calculations is the so-called Hills
condition,
. Hills condition (Hill [70], 1952) dictates the
size requirements on the RVE. The classical argument is as follows. For any perfectly bonded heterogeneous body, in the absence of body forces, two physically
important loading states
satisfy
Hills condition.
They are pure linear displacements
2
of the form:
(1)
1
or (2) pure tractions in the form
1
; where and are constant strain and stress tensors,
respectively.
Clearly, for Hills conditions to be satisfied within a macroscopic body
under nonuniform external loading, the sample must be large enough to possess small
boundary field fluctuations relative to its size. Therefore applying (1)- or (2)-type
boundary conditions to a large sample is a way of reproducing approximately what
may be occurring in a statistically representative microscopic sample of material in
a macroscopic body. Thus, there is a clear interpretation to these test boundary conditions. Our requirement that the sample must be large enough to have relatively
small boundary field fluctuations relative to its size and small enough relative to the
macroscopic engineering structure, forces us to choose boundary conditions that are
uniform. This is not optional. Explicitly,
to determine
six
linearly
, one specifies
independent
loading
of
the
form,
1
or
where
and
are symmetric second order strain and stress tensors,
with spatially constant components. Each independent loading state provides six
9 . >
0
9>
39
40
equations, for a total of 36, which are used to determine the tensor relation between
average stress and strain,
. If the effective response is assumed isotropic then
only
H
and
one
test
loading
(instead
of
usually
six),
containing
non-zero
dilatational
(
H
0
JS
), is necessary
(3.1)
We note that even if the aggregate response is not purely isotropic, one can interpret
the above expressions as generalizations of isotropic responses.
> -3-
> 131
> 434
1A4
>
-/4
>
>
%
%
%
%
-$1
%
%
-3 -$131
1313131
434131
-$ 13131
1A4131
-3 -3-$1
131@-$1
434B-$1
-$ 1@-$1
1A4B-$1
-3 -$1A4
13131A4
4341A4
-$ 131A4
1A41A4
-/4B-3-
-/4131
-/43434
-/4B-$1
-/41A4
-3 -3-/4
131@-/4
434B-/4
-$ 1@-/4
1A4B-/4
-3 -/434
131A434
4343434
-$ 1A434
1A43434
*
-3 -3-3131@-3
434B-3
-$ 1@-31A4B-3
-/4B-/4
-3- %
131 %
434 %
3
-$1 %
3
1A4
%
3
-/4
%
(3.2)
where
, and where and are the stress and strain tensor fields
within a microscopic sample of material, with volume . In mechanics literature,
such a sample is called a statistically representative volume element (RVE). In order
for such an analysis to be valid, i.e. to make the material data reliable, the sample
must be small enough that it can be considered as a material point with respect to the
size of the domain under analysis, but large enough to be a statistically representative
sample of the microstructure.
is exactly what appears in engineering books as
the properties of materials. A wide variety of microheterogeneous materials, such
as those shown in Figure I.2, can be treated by the general approach to be presented.
The usual choices for the six independent load cases are
=
*
CE
CE
=
CE
(3.3)
CE
41
TESTING PROCEDURES
where is a load parameter. Each independent loading state provides six equations,
for a total of 36, which are used to determine the tensor relation between average
stress and strain,
. For completeness we record a few related fundamental results,
which are useful in micro-macro mechanical analysis.
3.1.1
2
3
2
*
%
*
- * - *
- * - *
*
*
3
3
2
3
3
%
2
3
A6
8
=
8
A6
8
A6
8
*
- * - *
*
*
*
*
*
*
%
A61
*
(3.4)
42
9
!! >
where
is a tensor product of the vector
describes the displacement jumps in the interfaces between
only if the material is perfectly bonded, then
2
and vector .
and . Therefore,
(3.5)
Note that the presence of finite body forces does not effect this result. Also note that
the third line in Equation 3.4 is not an outcome of the divergence theorem, but of a
generalization that can be found in a variety of places, for example Chandrasekharaiah
and Debnath [20] or Malvern [118].
3.1.2
@ Q9
> 9 @ %>
Again
if we consider a body with
, then
. Therefore, substituting this yields
)
"! #%
"!
2
6
(3.6)
(3.7)
Note that debonding (interface separation) does not change this result.
3.1.3
9 % >
@
, then
Consider
a body
with
a perfectly
bonded
microstructure
and
%>
@9 >
!
and
2
If
@
1
and
!
, then
.
. Therefore since
Noting that
2
, then
Q9
@
, we have
. If
(3.8)
9 X>
@
, as before we have
43
2
09
>
>
5
$ -
%
5
1 $
5
$ -
$
5
!
>
1
%
2
2
>
(3.9)
$ -
5
(3.10)
we have
5
*
*
5
5
$ 3 % $
% $ % 3 % %
$
$
%
%
%
$ -
5
5
5
0
5
$ %
$ %
-
%
(3.11)
$ - $ %
%
(3.12)
where we emphasize
that
this
inequality means that the eigenvalues of the tensors
and
are non-negative. The practical outcome of the analysis is that bounds on effective properties are obtained. These bounds are commonly
known as the Hill-Reuss-Voigt bounds, for historical reasons. Voigt [183], in 1889,
assumed that the strain field within a sample of aggregate of polycrystalline material,
was uniform (constant), under uniform strain
exterior
loading. If the
constant strain
2
Voigt field is assumed
within
the
RVE,
,
then
,
which implies
. The dual assumption was made by Reuss [151], in 1929,
who approximated the stress
fields within the
aggregate
of
polycrystalline
material
.
, leading to
,
as uniform (constant),
"
"
"
"
44
(REUSS FIELD)
SPECIFIED
TRACTION
SPECIFIED
TRACTION
(VOIGT FIELD)
SPECIFIED
DISPLACEMENT
SPECIFIED
DISPLACEMENT
Fig. 3.2 Intuitive interpretations of the Reuss and Voigt fields with purely one dimensional
effects assumed.
3.3 OBSERVATIONS
These results have a clear interpretation. To see this, consider a 1-dimensional bar of
length composed of random particles. There are a total of bands,
dark bands
( particles) and white bands ( particles), each of length
(upper
structure in Figure 3.2). We apply uniform strains on the structure and obtain the
following two point boundary value problem
9 9 > Q 9 > >
9> 9>
(3.13)
9. >
(3.14)
. , and where is the volume fraction which equals
. This
where
is exactly the Reuss bound, which is not surprising since the state of stress is constant
throughout the rod. Alternatively consider
3.2. The state
/9 . the lower
> structure
in Figure
of strain is uniform and we have
, which is the
Voigt approximation. The interpretation is clear, the response is bounded from below
(softer) by springs (moduli) in series (constant stress) and above (harder) by springs
(moduli) in parallel (constant strain). The bounds provide a rough and quick way of
determining approximate aggregate responses of microheterogeneous materials. The
wideness of the bounds grows with volume fraction, for example illustrated for an
45
Improved bounds were developed in 1963 by Hashin and Shtrikman ([65], [66])
based on variational principles using the concept of polarization or filtering of
micro-macro mechanical fields. Based on these formulations they developed better
asymptotic bounds on effective properties. These bounds are sensitive to sample
size and are strictly valid only asymptotically useful when the sample size is infinite
relative to the microconstituent length scale. The Hashin-Shtrikman bounds are the
tightest possible bounds on isotropic effective responses, generated from isotropic
microstructure, where the volumetric data and phase contrasts of the constituents are
the only data known. The Hashin-Shrtikman principle represents a classical example
of the filtering of scales for materials with microstructure. It essentially involves
the Principle of Minimum Potential Energy (PMPE) written in terms of a filtered
variable that admits to a straightforward approximation of the internal fields. With
such an approximation
one can bound the macroscopic response.
One begins by
writing
, where
is spatially constant, and
, where
is
spatially nonconstant (heterogeneous). One defines polarization (filtered) variables,
1
,
and
, where
and
are
unknowns
in
a
filtered
variational
principle.
The
following
potential
is
constructed
"
"
9 >
where
"
"1
"
"
0.
!
"
">
"
0. 9 9 >
"
"
9
, @
"
"
>
!
and
">
1
"
(3.15)
"
"
"
"
9 >
"
9 >
9 >
46
"
"
>
0 "
9 9
>
(
(
9 . >
.
are the bulk and shear moduli for the phases, while(3.16)
W is
and
!
(
(
where
the phase 2 volume fraction. The original proofs, which are algebraically complicated, can be found in Hashin and Shtrikman [65] and [66]. We emphasize that in
the derivation of the bounds, the body is assumed to be infinite, the microstructure
isotropic, and that the effective responses are isotropic. Also, a further assumption
is that
and . We remark that the bounds are the tightest possible,
under the previous assumptions, when no geometric (micro-topological) information
is included.
3.4.2
0!+# %
- "! # %
2
;=
;=
6 1 0!$# %
> 0' #%
N >
;=
'
;=
$ -
>
;=
'
;=
-
> "'(#%
, which reduces to
2
By
(3.17)
2"' #%
where
2
2
N> B
(3.18)
.
is
"%
2
)
1 1
1 1 1
1 1 '
'
1 -
8
1 -
"
2
)
1 :
: 1 :
'
'
: 1 '
: -
: -
'
47
are known,
(3.19)
.
Clearly, the microstress fields are minimally distorted when
Remark: There has been no approximation yet. The burden in the computations
has shifted to the determination of . Classical methods approximate . For example,
the simplest approximation
is
, which is the Voigt approximation,
or for the Reuss
approximation
, where
.
'
'
9 9:9 > 9 9 > > > > > '
3.4.3
9 >
'
9 >
'
48
>
>
9 >
(3.20)
where is the far field uniform strain,
is the strain in the particle,
is the transformation strain and is the fourth-order Eshelby tensor which satisfies
. The Eshelby result, stated in a compact way, is:
and
are
constants in an isolated ellipsoidal particle under uniform far field loading.
3.4.4
Dilute methods
The use of the Eshelby result is straightforward as a method of determining approximate effective properties for regularly shaped particles. When the particle is a
sphere, is isotropic and the relations are relatively easy to write down. Breaking
the tensor relations into dilatational and deviatoric pieces yields,
one has
H
H
H
,
,
and
.
0
0
The constitutive relations are,
9 > , where
X , 587 587 ,
yields,
3 3
% ,
9
> and
and
,
.
The approximations allow the determination of the strains in the particles as a func
tion of the loading and geometry. Notice that the deviatoric and dilatational strain
components in the particle are the far field corresponding strain components multiplied by a factor composed by the corresponding components of the matrix material
divided by a convex combination of the matrix and particle materials. The transformation relations are tabulated for various simple particulate shapes in Mura [130].
It is important to realize that the stress fields in the matrix are not constant, and are
extremely complicated. Fortunately, in developing approximate expressions for the
effective response it unnecessary to know the fields in the matrix. Consequently, the
concentration tensor, under the non-interacting particle assumption, is isotropic and
can be written as
I
'
I
I
'
(3.21)
G9
> '
49
G9 >
JS
W9 >
(3.22)
Dilute approximations are usually only accurate at extremely low volume fractions.
3.4.5
Non-interaction of particulates is an unrealistic assumption for materials with randomly dispersed particulate microstructure at even a few percent volume fraction.
Weak interaction between particles, via a sensitivity to increased volume fraction,
involves slight modification of the
dilute method.
This involves assuming that
there
.
,
thus
implying
exists another tensor, such
that
be approximated.
. The tensor
must
There are two requirements: (1)
and (2)
. The
most widely used approach is that of Mori-Tanaka [128].
The
Mori-Tanaka
method
.
2
, thus implying
proceeds
by
constructing
a2tensor
such that
2
that
2
. The Mori-Tanaka method approximates by . The physical implications are that the particle sees a matrix material with an average stress
state provided by the average in the matrix. One can consider the Mori-Tanaka
as
one
possible
curve
fit
that
satisfies
the
two
mentioned
conditions,
i.e.
when
1
. The result is
and
when
9D >
P
" '
P
9
>
'
. '
9
>
9
> (3.23)
JS
X
where
,
X , 587 587
, )
, where
,
and
. The interaction, via a
9 9
> >
'
9 . > JGS
and where
9. >
I
(3.24)
. The approach is iden
where
tical to the dilute approximation, with the result being somewhat more complicated
50
A
I
v =1
2
v =0
2
expressions for the approximate effective property, however, which can be computed
in closed form in many cases. We refer the reader to the books of Mura [130], Aboudi
[1] and Nemat-Nasser and Hori [131]. The self-consistent method produces negative
effective bulk and shear responses for voids above volume fractions of 50 . For
rigid inclusions it produces infinite effective bulk responses for any volume fraction
and infinite effective shear responses above 40 . For proofs and discussions on
variations of this method, see Aboudi[1]. With these facts in mind, one can safely
employ such methods only at very low volume fraction levels.
Remark: For more indepth analyses, with extensions into nonlinear behavior,
using blending analytical, semi-analytical and numerical techniques, we refer the
reader to the extensive works of Llorca and co-workers: Segurado and LLorca [153],
Gonzlez and LLorca [56], Segurado et. al [154], Gonzlez and LLorca [57], LLorca
[111], Gonzlez, C. and LLorca [58], Poza and LLorca [148], LLorca and Gonzlez
[113], LLorca [114], LLorca [115].
Variational inequalities are now derived that govern the growth or decrease in system
energy due to the local stiffness reduction. With these inequalities, bounds can be
developed for the effective response for irregularly shaped particles by creating outer
51
240
220
200
180
REUSS
VOIGT
HASH/SHTRHASH/SHTR+
160
DILUTE
MORI-TANAKA
140
120
100
80
60
0
0.2
0.4
0.6
VOLUME FRACTION
0.8
1.2
0.4
0.6
VOLUME FRACTION
0.8
1.2
180
REUSS
VOIGT
HASH/SHTRHASH/SHTR+
DILUTE
140
MORI-TANAKA
160
120
100
80
60
40
20
0
0.2
Fig. 3.5 The predicted effective bulk ( ) and shear moduli ( ) for an Aluminum matrix
3
3
2 3
*
*
*
*
(
,
)/Boron particle (
,
).
52
MANUFACTURING
REALITY
LOWER
IDEALIZATION
UPPER
IDEALIZATION
Fig. 3.6 Upper and lower idealizations of shapes that can be manufactured.
and inner smooth envelopes, as shown in the Figure 3.6. In order to do this the
principle of virtual work and the complementary principle are employed.
Consider two symmetric positive definite material property (elasticity tensor) dis
tributions, and used in same boundary value problem.
The corresponding
stress and strain states using these materials are denoted
and
respectively. Consider the respective strain energies of both materials:
"
&
(
&
&
(
&
(
$
&
"
"%
&
0
&
Similarly, defining
,
(
&
&
(
0
&
(
$
, if
.
,
(
&
(
$
1 $
, one obtains, assuming, 9 >
Denoting
9 > 9 >
&
(
0
&
(
.
(3.25)
(3.26)
53
"
*
(
&
$ - 5
& (
% 1 $
(
&
&"
"
9 >
and thus, assuming
(
&
%1 $
%
$ - 5
& (
(
&
(
&
&
(
5
0
1 $
%
$
-
&
(
(
&
5
0
E
(3.27)
5
0
$
-
&
(
$
/
&
5
(
%
5
0
(3.28)
The general proofs are constructive, and we believe add extra insight the analysis to
follow later.
3.5.2
9 > 9 >
"
&
(
We have, denoting
*
(
$
&
&
&
(
&
&
/
(
&
*
&
/
(
&
/
(
&
&
(
(
(
&
(
&
1 $
%
&
(
(
&
(
(
&
&
/
&
(
(
&
(
,
,
(
&
&
(
&
(
&
&
(
0
(3.29)
0
.
(
&
(
&
(
(
"%
,
&
"
%
(
&
(
%
54
*
(
&
"
&
&
(
&
,
(
&
& (
& (
(
0
&
%
(
7
9
(3.30)
>
&
(
(
&
%1 $
%
&
(
Similarly, defining
and
(
, if
%1 $
H
&
(
&
(3.31)
(
&
(3.32)
9
> 9 %>
(3.33)
and we have
&
(
5
0
$ - )5
& (
$
-
&
(
&
(
&
(
5
&
(
"
$ & (
&
$ & (
&
&
5
&
(
&
&
(
&
(
&
(
5
$ -
5*
0
(
5
$ -
&
(
$ -
&
(
$ -
&
(
(
5
5
$ -
&
(
$ & (
$ & (
$
-
&
(
(
&
/
(
&
&
(
$
-
&
(
5
$ -
&
(
5
5
5*
0
$
-
&
(
5
(3.34)
55
9 >
&
5
Therefore
(
$
$ - )5
& (
&
(
implies
&
(
0
5*
$
&
5
(
%
$ -
&
(
5
0
(3.35)
Similar results, however for more restrictive (uniform) loading cases, and not in the
context of a microfailure analysis, can be found in Huet, Navi, and Roelfstra [79].
3.5.3
Under the special case of uniform test boundary loadings, one has
YN >
Y>
G
J ,S
JS
9
9
is assigned the real microstructure composed of irregular
Therefore, if
shapes,
, and represents a microstructure with a smoother particu
late geometry that envelopes the real particles
(Figure 3.6), denoted
, with corre
!
sponding effective property
, then
and
or " .
is assigned the real microstructure composed of irregular
Alternatively, if
represents a microstructure with a smoother par
shapes,
, and
ticulate geometry that is enveloped by the real particles (Figure
3.6), denoted ! ,
or
with corresponding effective property
, then
and
"
. Therefore, in total,
(3.36)
These relations, for uniform boundary conditions,appeare to have been first developed
in Huet et. al. [85], based on the results of Hill [74]. The result has been coined
by Huet et. al. [85] as the Hill Modification Theorem. Of critical importance is
the fact that one can safely use smooth idealizations to approximate rougher more
geometrically complicated shapes that really occur during manufacturing.
4
A basic finite element
implementation
Classical approximation techniques construct approximations from globally kinematically admissible functions. Two main obstacles arise (1) it may be very difficult
to find a kinematically admissible function over the entire domain and (2) if such
functions are found they lead to large, strongly coupled, and complicated systems
of equations. These problems have been overcome by the fact that local approximations, i.e. over a very small portion of the domain are possible that deliver adequate
solutions, and simultaneously lead to systems of equations which have an advantageous structure amenable to large scale computation by high speed computers. This
piece-wise or element-wise approximation technique has been recognized at least
60 years ago by Courant [25]. There have been a variety of such approximation methods to solve equations of elasticity. The most popular is the Finite Element Method
(FEM). The central feature of the method is to reduce the continuum field equations,
in a physically sound and systematic manner to an assembly of discrete subdomains
or elements. The process is designed to keep the resulting algebraic systems as
computationally manageable, and memory efficient as possible. The implementation, theory and application of FEM is a subject of immense literature. We in no way
will attempt to review this huge subject. For general references on the subject see the
standard books of Bathe [10], Becker, Carey and Oden[11], Hughes[92] and Szabo
and Babuska[172].
58
+-"
*
-
(
#
/&
#
- *
<*
-
0
*
+8
(4.1)
E
6
*
*
%
(4.2)
E
where
DE
"
DE
%
" ++
+
(4.3)
59
FEM APPROXIMATION
1
or
-
-
-
1
E
1
E
(4.4)
4
E
-
"
=
(4.5)
It is advantageous to write
"
1
A6
"
A6
0
Since
(4.6)
and
combination
"
we choose with the same basis, but a different linear
[ [ . ,Ifthen
we may write
4
"
"
"%
*
A6
%
A6
%
(4.7)
, therefore
(4.8)
60
One strength of the finite element method is that most of the computations can be
done in an element by element manner. We define the entries of
,
"!
;
[ [ ! +
(4.9)
and
;
[ +
;
[ +
4!
(4.10)
;
[ +
9 >
[ ; [ ! +
(4.11)
In order to make the calculations systematic we wish to use the generic or master
. Accordingly, we need the
element defined in a local coordinate system
following mapping functions,
coordinates to the real space coordi from
the(formaster
example trilinear bricks):
nates,
9 > 9 >
"%
"%
*
-
-
(4.12)
:
9
>
9
are true spatial
coordinates
of the ith node, and where [ >
where
9 9 $> W9 > W9 $>:> . These types of mappings are usu[
ally termed parametric maps. If the polynomial order of the shape functions is as high
4
-
MAPPED
ELEMENT
X2
1
MASTER
ELEMENT
X1
3
8
1
2
61
62
2
*
2
2
2
*
2
-
2
2
2
2
2
0
2
2
-
2
2
2
E
2
2
2
E
2
1
2
2
2
2
1
2
(4.13)
E
For trilinear elements: Here we have a nodal basis consisting of 8 nodes, and
since it is vector valued, 24 total degrees of freedom, or 3 shape functions for
each node.
[
We note that the s are never really computed, we actually start with the s.
Therefore in the stiffness matrix and righthand side element calculations, all terms
must be defined in terms of the local coordinates. With this in mind we lay down
some fundamental relations, which are directly related to the concepts of deformation presented in our discussion in continuum mechanics. It is not surprising that a
deformation gradient reappears in the following form:
"
- E
4
"
!
(4.14)
*
-
4
-
4
4
4
(4.15)
, are
, are
E
(4.16)
63
and
0
0
(4.17)
E
(4.18)
*
(4.19)
where
-3*
*
*
*
-/4
131
4B-
434
$ - *
"
!
1A4
E
41
-3-
1@-
-$1
=
1@4B-
-$1
131
41
-/4
(4.20)
1A4
434
With these relations, one can then solve for the components of
and
(4.21)
, via
We now need to express
in terms
9 [ 9 > > 9 [ 9 A 9 > A
9 > A 9 >:>
(4.22)
4.5 DIFFERENTIATION IN THE REFERENTIAL COORDINATES
64
(4.23)
(4.24)
E
(4.25)
(4.26)
-
(4.27)
(4.28)
E
1 This is for illustration purposes only. For computational efficiency, one should not program such operations in this way. Clearly, the needless multiplication of zeros is to be avoided.
[ is a
which in total is a 3 24 matrix. Therefore the product
the form, for the first eight columns
*
0
6
% $
E
""
E
(4.31)
(4.30)
E
(4.29)
% matrix of
6 6
6
65
%
(4.32)
E
and
*
6 6
*
% $
""
-
6
6
%
%
(4.33)
E
66
- + $>
0 10
> .
0 0
9 >
>
9
9
$>
> W9
>
*
-/4
2 If a direct storage of the finite element storage of the stiffness matrix were attempted,
stations.
(4.34)
(4.35)
2
memory would be required, which, for large problems is an impossibility for most work-
POST PROCESSING
67
X3
n
dA
X2
X1
Fig. 4.3 A surface element.
-
1
1
. or . . For the
(4.36)
1A4
E
plane
. or . .
(4.37)
-$1
E
$
68
-/4
-3
131
434
3
-$1
3
1A4
3
%
(4.38)
E
where the global coordinates must be transformed to the master system, in both the
deformation tensor, and the displacement representation. At each Gauss point, we
add up all eight contributions for each of the six components, then multiply by the
corresponding nodal displacements that have previously been calculated. The following expressions must be evaluated at the Gauss points, multiplied by the appropriate
weights and added together:
-
-
-
-
E
-
-
-
-
-
E
-
-
-
(4.39)
E
A .
where
+-"
%
&
*
- *
-
E
*
*
8
*
-
E
*
(
#
/& #
E
&
(
(4.40)
69
9 N>
9 N>
&
9 N>
9F
The critical point is that
. This inner approximation
allows
the
development
of
straightforward
subspatial
error
estimates. In most cases
&
&
and
coincide. We have for any kinematically admissible function
a definition of the so-called energy norm
9 N>
9 N>
1
"% - *
% (
&
- * -
5 5
9 >
(4.41)
C
7
9 >
9 >
**
E
'
> 9 >
9 >
9
9
sense:
With this we finally have
"
9 N>
7 >
9 N>
9 N>
- 9 .
9 > 9 >
9 N>
9 N>
-
(4.42)
. 0 Therefore
any member
the subspace
this ofrepresentation
9 > 9 > . Using
9 > , which implies
>
. We recall that
2 is bounded
; in the following
E
. 9 > . 9 >
'
"
"
(4.43)
This result holds locally as well, however with the constant and exponent being
different for each element.
70
TRUE
SOLUTION
RESIDUAL
ERROR
APPR.
SOL.
APPROXIMATION SPACE
Fig. 4.4 Orthogonality of the approximation error.
0
"
9 >
0 3
0
9 . . > & 9 .$> 9 . >
9 .$>
9 >
0
0 3 0
9 9 .$> 9 > > . > &
9 >
3 An operation such as the addition of two numbers, or multiplication of two numbers, is one operation
count.
71
as small as possible. Skyline solvers locate the uppermost nonzero elements starting from the diagonal and concentrate only on elements below the skyline. Frontal
methods, which are analogous to a moving front in the finite element mesh, perform
Gaussian elimination element by element, before the element is incorporated into
the global stiffness matrix. In this procedure memory is reduced, and the elimination process can be done for all elements simultaneously, at least in theory. Upon
assembly of the stiffness matrix and righthand side, back substitution can be started
immediately. If the operations are performed in an optimal order, it can be shown
that the number of operations behaves proportionally to
. Such a process, is, of
course, nontrivial. We note that with direct methods, zeros within the band, below
the skyline, and in the front are generally filled and must be carried in the operations.
In very large problems the storage requirements and the number of operation counts
can become so large that solution by direct methods is not feasible. The data structures, and I/O are also non-trivial concerns. However, we notice that a matrix/vector
multiplication involves
operation counts, and that a method based on repeated
vector multiplication, if convergent in less than iterations, could be very attractive.
This usually the premise in using iterative methods, such as the Conjugate Gradient
Method (CG). A very important feature of iterative methods, is that the memory requirements remain constant during the solution process. It is important to note that
modern computer architectures, are based on (1) registers, which can perform very
fast operations on computer words, but have virtually no memory capabilities (2)
cache, which slightly larger memory capabilities, with a slight reduction in speed, but
are thermally very hot, and are thus limited for physical as well as manufacturing
reasons (3) main memory, which is slower since I/O is required, but still within a
workstation and (4) disk and tape or magnetic drums, which are out of core, and thus
require a huge I/O component, and thus are very slow. Therefore, one point that we
emphasize is that advantage is taken of the element by element structure inherent
in the finite element method for data storage and matrix vector multiplication in the
CG method. The element by element data structure is also critical for the ability to
fit matrix/vector multiplications into the computer cache, which essentially is a low
memory/high floating point operation per second portion of the computer hardware.
Remark: One singularly distinguishing feature of iterative solvers is the fact that
since they are based on successive updates of a starting guess solution vector, they
can be given a tremendous head start by a good solution guess, for example, provided
by an analytical or semi-analytical solution. We now discuss minimum principles,
which play a key role in the construction of a certain class of iterative solvers valuable
in solving micromechanics problems.
0
4.9.1
By itself, the PMPE is a powerful theoretical result. However it can be used to develop
methods to solve systems of equations arising from a finite element discretization of
a infinitesimal strain linearly elastic structure. This result is the essence of the socalled Krylov
family of searches. Suppose we wish to solve
the discrete system
, .
is a symmetric positive definite
matrix,
is the
$
72
"!
of the potential is also the solution to the discrete system. A family of iterative
solving techniques for symmetric systems based upon minimizing by successively
updating a starting vector are the Krylov class. The minimization takes place over
vector spaces called the Krylov spaces. These methods are based on the hope that a
solution to a tolerable accuracy can be achieved in much less than
operations,
as required with most Gaussian-type techniques. The simplest of this family is the
method of steepest descent, which is a precursor to the widely used Conjugate Gradient
Method.
9 >
@
C @ C
$.; We seek
the successive iterates,
a relation
$; such
that
C
C
C
$
$
is a global
minimum.
Directly
we
have
$; $ $; $; , where
it was
assumed
that
+
"!
+* (
+* (
1,
1,
)&
)&
-!
.-!
-!
#!/-!0.
3
$ A $
9.
>
A $
'9 >
43
73
9 >
$
@
such that
. We seek
and the successive iterates, $
a
0
:
3
minimum.
is a global
search vector, $
is computed
iteration
. , awhere
The , first
0:3
$
by
the update vector is defined as
is
W5 , for - .
;. C The
coefficient
+
chosen
so that is
to
, i.e.
. Therefore, the value of which minimizes
0. 9 > ; 89 > 9 > ;
$
$
(4.45)
1023
.
is ( ),
. The solution steps
are:
+
+
+
! +
!#"$%
3
(
!
!#"$%
-
&
*
1
-
&
"%
2 3
0
$ -
'&
*
-
*
&
&
*
*
&
(
!#"$%
*
*
* * * *
!#"$%
"
(
!
*
'&
2 !#"$%
+
)&
)&
*
*
-
2
*
-!
-!
#!-!0
(4.46)
74
*
*
-
2
2
*
-
-
(4.47)
, where the are the diagonal entries of . In this case the resulting
terms in the preconditioned stiffness
matrix are unity on the diagonal. The off diagonal
terms,
are divided by
. There are a variety of other preconditioning
$ ?;)
*;) % % ?; % N8 %?; N ; N
%
.
4!
!
N ;
- +
E
techniques, of widely ranging expense to compute. For more details see Axelsson
[8]. It is strongly suggested to precondition the system. For example with the simple
diagonal preconditioner we obtain the following stiffness matrix
-
-
-
/
/ /
-
-
2
-
2
-
-
/
-
-
/ /
2
2
(4.48)
4.10
As we have mentioned earlier, the exterior point (penalty) method was used to enforce
displacement boundary conditions. in the case where a potential exists We can now
motivate this by an augmented potential
,
, whose variation is
>
9 N>
>
9 >
> 9
+-"
*
)5
(
#
/&
#
<*
-
75
8
0
+8
(4.49)
9
9>
if
, the feasible region.
is theminimizer
of
for weight
problem
9 2> 9
9 > 9 >
9 U> 9 >
9 > 9 >
9 > P
/
+
1
We have
following properties, where
is the
and
the true minimizer for the exact
9 >
9 >
9 >
9 > 9 >
9 >
9 >
+
+
>
+
(4.50)
The important point is that for increasing penalty weights, we are assured to converge
to a feasible minimum. In general one uses a series of weights, and stops at finitely
large, penalty values. There are a variety of minor variations to such approaches since
their introduction in the late 1960s, but the essential idea has remained unchanged.
For more details we refer the interested reader to reviews in Fiacco and McCormick
76
[31] or Luenberger [117]. For the sake of completeness, we derive some fundamental
results.
4.10.1.1
1. By definition:
-
-
-
0
0
-
"%
2. By definition:
- -
- -
-
-
(4.51)
0
and
. Adding the two previous results yields
.
3. By definition:
"
0
"
*
4. For each K,
"%
0
0
0
-
0
-
(4.52)
"
7
5. Utilizing the previous results, one can show that the method converges. Let - ,
, be a convergent subsequence of - , having limit . Therefore, by continuity of
* 5
we have 0-+-% . From the previous results
*
E
0 +-%
. There - - which
5implies
* 0-+-%
- *
0-+-%
E
which
implies
fore, E
*
. Since
, and therefore is feasible.
must be
- is continuous,
5
* 0-+-%
optimal since,
and
.
4.10.2
-
"
-
9>9
&>
77
9 2> 9 > 9 >
9 > 9 > 9 >
9 U> 9 > 9 >
9 > 9 > 9 > 9 >
9 > P " 9 > 9 >
/
+
+
+
+
(4.53)
1. By definition:
0
0
(4.54)
"
-
-
- -
- -
2. By definition:
- -
-
3. By definition:
-
-
"%
4. For each K:
-
-
-
-
- -
- - "
-
"
*
-
-
(4.55)
.
5. Utilizing the previous results, one can show that the method converges. Let - ,
, be a convergent subsequence of - , having limit . Then by continuity
*
of we have 0-+-% . From the previous results
5
0-+-%
*
E
. Therefore
5- E* - 0 +-%
0-+-%
*
.
E
. Since
5 is continuous
is finite, and therefore is feasible.
must be optimal since,
5
*
* 0 +-%
and by continuity
.
-
"
+
78
primary work concerning this approach is found in the classical monograph Nonlinear Programming: Sequential Unconstrained Minimization Techniques (SUMT), by
Fiacco and McCormick [31]. This work summarizes and extends a series of papers
by Fiacco and McCormick on the subject, and serves as a primary source of results
related to penalty and barrier methods. In addition it contains a detailed historical
survey of these methods.
5
Computational/statistical
testing methods
The amount of uncertainty in the effective property bounds, as well the magnitude of
the internal solution difference bounds, leads one to consider direct numerical simulation, whereby the effective responses can be obtained by volumetrically averaging
(post processing) numerical solutions of boundary value problems representing the
response of aggregate assemblages of heterogeneous material. Accordingly, in this
chapter we investigate topics related to the numerical simulation of the testing of
mechanical responses of samples of microheterogeneous solid materials formed by
aggregates of particulates suspended in a binding matrix. Consistent with what is
produced in associated manufacturing methods, the microstructures considered are
generated by randomly distributing aggregates of particulate material throughout an
otherwise homogeneous matrix material. Therefore, the resulting microstructures are
irregular and nonperiodic. A primary issue in testing such materials is the fact that
only finite sized samples can be tested, leading to no single response, but a distribution of responses. A technique employing potential energy principles is developed
to interpret the results of testing groups of samples. Three dimensional numerical
examples employing the finite element method are given to illustrate the overall analysis and computational testing process. The basis for this chapter follows from work
found in Zohdi and Wriggers [200].
80
X2
X1
X3
Fig. 5.1 A cubical sample of microheterogeneous material.
S=
@
9 N>
L M1HVHZJ V
9 N>
!
(5.1)
When we perform material tests satisfying Hills condition,
we
have,
in
the
case
of
displacement controlled tests (loading case (1))
and
or
for
1
traction controlled
tests (case (2)) H
and
. In either case we
!
consider
and that the material is perfectly
bonded.
However,
we note that
!
(1) Hills condition is satisfied with
(and no
debonding)
and
in
case (2) it is
!
satisfied even with debonding, however only if
. The boundary value problem
in Box 5.1 must be solved for each new sample, each possessing a different random
microstructure ( ). The solution is then post processed for the effective quantities.
It is convenient to consider the RVE domain as a cube, and we shall do so for the
remainder of the work.
NUMERICAL DISCRETIZATION
81
the microstructure with the finite element method, an unaligned or an aligned approach. We refer to an unaligned approach as one which does not require the finite
element boundaries to coincide with material interfaces when meshing the internal
geometry (Figure 5.2). This leads to material discontinuities within the finite elements. An aligned approach would impose that the element boundaries coincide
with material interfaces and therefore the elements have no material discontinuities
within them. There are advantages and disadvantages to both approaches. Unaligned
meshing has the advantages of rapid generation of structured internal meshes and
consequently no finite element distortion arising from the microstructure. This is
critical to computational performance if iterative solvers are to be used. The aligned
meshing usually will require less finite elements than the unaligned approach for the
same pointwise accuracy. However, the disadvantages are the mesh generation for
irregular microstructures in three dimensions. Even if such microstructures can be
meshed in an aligned manner, the finite element distortion leads to stiffness matrix ill
conditioning and possible element instability (shape nonconvexity). For numerical
studies comparing the meshing approaches, see Zohdi et. al [195]. Here our emphasis
is on admitting general irregular microstructures, and rapidly evaluating them during
the testing process, thus we have taken the unaligned approach, which we discuss in
more detail next.
5.2.1
Topological resolution
9>
compared to the length scales of the particulate matter and as a consequence that
there is at most one discontinuity within the element. However, this assumption
makes no difference at the implementation level. Integrating over a reference element,
82
9 >
we have
. We perform a straightforward Gauss-Legendre quadrature, with quadrature points, where points lie
before the discontinuity at . We assume that the continuous function, possibly a
polynomial,
can be integrated exactly, or nearly exactly, with standard quadrature
, where are the Gauss weights and where are
'9 > '9 >
0
. The remainder is
the Gauss point locations. We note the property
9
>
9
>
9 >
9 . > . We may write
the discontinuous part
9 >
9 > 9 >U 9 >
. . As a
+
! #"
in the interval
the dependence of the largest quadrature
weight,
3
9. In .order
. > , towithbound
" % (Gauss rules of
rule, we
least
squares
curve-fit
. )thewithGauss-Legendre
!
$
.
,
the following, PJ
with
2
'
(5.2)
NUMERICAL DISCRETIZATION
83
=1
=1
M GAUSS POINTS
M+1 GAUSS POINTS
/.
9 . $. > 9 . . > 9 . .$>
0 0 00
0 0 0
#
3 3 3
# # . 3W0
# # . 3
0 0 0
where
indicates a perfect regression value of the curve fit. Simple three
dimensional estimates can be made by applying this procedure in all three directions
on a reference element. For example, consider a 3-D step function discontinuity over
a reference finite element (
). Denoting
0 0 0
5.2.2
84
C
9
>
7, where is the (complete) polynomial
order of the finite element method used, is the regularity of the exact solution
"
and is a global constant dependent on the exact solution and the polynomial approximation, but independent of h, the maximum element diameter. Related forms
of this estimate hold locally, but with constants that are element dependent. The
smoothness of the solution is no better than
for elements containing material discontinuities. However, the solution can be quite smooth, i.e.
, for elements with no material discontinuities. For simplicity we employ the h-version finite element
method, i.e. successive
mesh subdi
vision using trilinear hexahedra (
), and therefore
in elements with
no discontinuities.
We recall
the well known property (PMPE), introduced earlier,
. By solving the boundary value problem as"
sociated for a given sample for
three
successively
finer
, with
meshes,
the following property:
,
we
can
set
up
the following system of equations for unknown constants , , and ,
7 . 9
7 . 9
>
9 9 > 9 >>
9 > 9
>
9 >
9 >
9
>
9 >
>
">
(5.3)
NUMERICAL DISCRETIZATION
85
J(u 1)
MESH=h 1
J(u )
h
J(u 2)
MESH=h 2
MESH=h 3
J(u 3 )
1/h
h1
J(u )
J(u 2)
J(u 3)
Fig. 5.5 Successively refined (embedded) meshes used to estimate the error.
where the exponents and are selected to reflect the estimated regularity of the
solution in the elements. In the
case of using trilinear hexahedra we are led to the
logical choice of exponents:
, representing elements with no material
discontinuities,
and
,
representing
elements with material discontinuities.
It is clear that
, and we can thus define the following quantity to monitor
the Galerkin error
9
">
9 9 > >
(5.4)
86
! .
%"$
%"$
!#"$%
"$
*
*<
1
*<
4
-
1
&
*
*
1
&
% (
3
"% *
1
% (
&
% (
"
"
&
(5.5)
These operations are performed for each sample, since they each have a different
random microstructure.
'
7 .
%
>
>
>
%
>
&
>
>
%
&
4
E
(5.6)
where
. In short, the rates of convergence between the averaged quantities
are much faster than between the unaveraged quantities. Consider a one-dimensional
example. Suppose the true
solution contained
in an element domain
containing ma
and
,
if
terial discontinuities is
if
, as shown in Figure 5.6. Now consider a field produced by a
linear finite element
approximation The field will be a purely linear function, which
we denote
. The difference between the true and the approximate solution
is
A #
A
# 9 F# >
87
.
"
Q
"
G
A
9.
"
Q
"
9 #
G >
> '
(5.7)
0 #
(5.8)
Therefore, we see that the rate of convergence is at least linear. However, this can
be increased further, for example via more sophisticated post processing extraction
techniques (see Szabo and Babuska [172]). Essentially the error in the element
averaged stress and strain fields scale at least linearly with element size.
1
, which implies
(1)VOIGT:
88
h
u =Dx
u=Bx+(A-B)x*
u=Ax
x
x*
MATERIAL 1
MATERIAL 2
(2)REUSS:
, which implies
(1)VOIGT:
(2)REUSS:
The Reuss solution, while statically admissible, is highly oscillatory in the displacement field variable and kinematically inadmissible. The Voigt assumption, which is
statically inadmissible and kinematically admissible, is not oscillatory in the displacement field variable. Therefore, from an iterative solver point of view, the Reuss field
assumption is not of much value as a starting vector for a displacement based method.
Furthermore, such guess cannot be projected onto the initial nodal values because it is
double valued at material discontinuities (not kinematically admissible). However, it
is important to note that if a complementary based numerical method were to be used,
where the primary variable is the stress, the Reuss guess would be advantageous due
to the smooth nature of stress field assumed. The Voigt (constant strain) assumption
produces a low frequency initial guess. Therefore, from an iterative solver point of
89
view, it is of value when using displacement based weak form such as the standard
FEM. Furthermore, such a guess can easily be projected onto initial nodal values, because it is single valued. The central point is that each Conjugate Gradient iteration
can be viewed as a microstructural corrector
to an initially statically inadmissible
should be used for the displacement
initial guess (Figure 5.7), and that
tests.
u=
.x
CORRECTIONS TO u=
.x
In a first set of tests, the number of particles contained in a sample were increased
holding the volume fraction constant. During the tests, we repeatedly refined the
mesh to obtain invariant macroscopic responses. A sample/particle size ratio was
used as a microstructural control parameter. This was done by defining a subvolume
, where
is the number of particles in the entire sample and
size
90
X2
X1
X
) sample. A generalized diameter was
where is the length of the (cubical
defined, , which was the diameter of the smallest sphere that can enclose a single
particle, of possibly non-spherical shape if desired. The ratio between the generalized
. For a variety of numerical tests,
diameter and the subvolume was defined by
discussed momentarily, the typical
mesh density to deliver invariant volumetrically
averaged responses was
trilinear finite element
(approximately
hexahedra
2200-3000 degrees of freedom) per particle. We used
, which resulted in
a (fixed) volume fraction of approximately 22 . The following particle per sample
sequence (Figure 5.10) was used to study the dependence of the effective responses on
the sample size: 2 (5184 DOF), 4 (10125 DOF), 8 (20577 DOF), 16 (41720 DOF), 32
(81000 DOF) and 64 (151959 DOF) particles. In order to get more reliable response
data for each particle number set, the tests were performed five times (each time
with a different particulate distribution) and the responses averaged. Throughout the
tests,
we considered
a single combined
boundary loading satisfying Hills condition,
,
. We tracked the strain energy, as well as
and , as defined in Equation (3.1). Table 5.1 and Figure 8.5 depict the dependency
of the responses with growth in particle number. Justified by the somewhat ad-hoc
fact that for three successive enlargements of the number of particles, i.e. 16, 32 and
4!
0:3
.-+ .
91
Fig. 5.9 6061 aluminum alloy reinforced with pitch-55 boron additives ( 250), reprinted
with permission of The Metalurgical Society, Warrendale, PA, USA.
16
32
64
Fig. 5.10 A series of test samples with increasingly more particles, but with the volume
fraction fixed.
0 0 0
64 particle samples, the responses differed from one another, on average, by less than
for further tests. We remark that we
1 , we selected the 20-particle
microstructures
applied a 2/5 rule,
i.e.
a
Gauss
rule
if there is no discontinuity in the
element, and a
rule if there is a discontinuity, which is consistent with the
earlier derivation in the work (Table ??). The microstructure, as seen by this mesh
density, is shown in Figure 5.12.
5.5.2
0 0 0
For further tests, we simulated 100 different samples, each time with a different
random distribution of 20 nonintersecting particles occupying 22
( ).
%
%
%
Consistent with
the previous tests mesh densities per particle, we used a
mesh (
trilinear hexahedra or 2344 DOF per particle, 46875 DOF per test
sample). The numerical error monitor, , which measures microscopic differences
92
PART
DOF
W (GPa)
2
4
8
16
32
64
0.595
0.472
0.375
0.298
0.236
0.188
5184
10125
20577
41720
81000
151959
0.001444
0.001408
0.001386
0.001375
0.001365
0.001358
(GPa)
(GPa)
98.2
97.3
96.5
96.2
95.9
95.7
46.7
44.3
43.2
42.5
41.6
41.4
Table 5.1 Results of successive sample enlargements. Five tests, each with a different random distribution, were performed at each sample/particulate size ratio level to obtain somewhat
representative data.
5184 DOF
d/L=0.595
(GPa)
48
10125 DOF
d/L= 0.472
(2)
46
20577 DOF
d/L= 0.375
41270 DOF
d/L= 0.298
2 =
(4)
44
(8)
81000 DOF
d/L= 0.236
(16)
(32)
42
(64)
151959 DOF
d/L= 0.188
40
50 60
10
20 30 40
NUMBER OF PARTICLES
Fig. 5.11 The values of the effective shear responses for samples containing increasingly
larger numbers of particles. One hundred tests were performed per particle/sample combination
and the results averaged.
0 0 0 0 0 0
. . .
0 0 0
0 0 0
%
%
(described in Box 5.5), was constructed for the each sample with a %
mesh
,
density
by
using
a
mesh
sequence
of
embedded
finite
element
meshes:
%
% (Figure 5.5). The %
%
% mesh was used in all
and %
final computations for each sample, with an accompanying computed each time.
The plots of the behavior of the various quantities of interest are shown in Figures 5.13-5.22. The averages, standard deviations and maximum/minimum of these
quantities are tabulated in Table 5.2. For the 100 sample tests, with 20 particles per
sample, the results for the effective responses were
Z.3
%
0 .3
.G.Q.
(5.9)
QUAN.
'
(GPa)
(GPa)
(GPa)
0.001373
96.171
42.350
0.0376
49.079
.
3
!
0.2025
0.4798
0.0045
1.5790
93
0.950
2.250
0.024
9
Table 5.2 Results of 100 material tests for randomly distributed particulate microstructures
(20 spheres). We note that for a zero starting guess for the iterative solver, the average number
8
*
of CG-iterations was 55, therefore using the initial Voigt (
) guess saved approximately
2 3
of the computational solution effort.
where and are the averaged effective responses from the 100 tests, and where the
lower and upper bounds are, respectively, the classical Reuss [151] and Voigt [183]
bounds. We also compared the computed results to the well-known Hashin-Shtrikman
bounds ([65], [66]) which are, strictly speaking, only applicable to asymptotic cases of
an infinite (sample length)/(particulate length) ratio and purely isotropic macroscopic
responses. The bounds were as follows:
3W0
33
%
%
0 .3
03
%
%
(
.
.
9
.
>
(
(
(
(5.10)
94
and
where
are the bulk and shear moduli for the matrix and particle
phases. Despite the fact that the bounds are technically inapplicable for finite sized
samples, the computed results did fall within them. The time to preprocess, solve
and postprocess each 20 particle finite element test took no more than one minute
on a single RISC 6000 workstation. Therefore, as before, 100 of such tests lasted
approximately 1.5 hours.
Remarks: A primary question is: "What other information can we extract from
the average of the responses of many samples? This is discussed next.
1. Step 1: Take the sample, and cut it into N pieces,
. The pieces
do not have to be the same size or shape, although for illustration purposes it
is convenient to take a uniform (regular) partitioning (Figure 5.23)
2. Step
2: Test each piece (solve the subdomain BVP) with the loading:
. The function
is the solution to the BVP posed over subsample
5
"
* *
$ -
* " *
*
%
&
% (
%
%
E
$ -
*
"%
*
%
- -
-
%
%
E
$ -
%
$ -
E
%
E
(5.11)
The same process can be done for traction test loading cases:
. The
effective material ordering, line three in Box 5.11, has been derived by Huet [83]. The
second line of Box 5.11, and generalizations to nonuniform loading, were developed
in Zohdi and Wriggers [203]. The proofs, which are constructive, and illustrative of
the main ideas, are provided next. They result from a direct manipulation of classical
energy minimization principles.
5.6.1
Consider a large sample whose domain consists of the union of many smaller domains,
, as depicted in Figure 5.23. The corresponding solution , denoted
95
the globally exact solution, is characterized by the following weak boundary value
problem
*
+"
- *
<*
(
#
&
#
*
-
*
(5.12)
Specific choices for , and will be given
Now consider the boundary
, as , momentarily.
of an individual subdomain
( is the total number of
subdomains)
S
@
9 >
9 >
9
N
>
L M1H V:HZJV
(5.13)
!
A specific choice for will also be given momentarily. The individual subdomain
solutions form an approximate solution to the globally exact problem, . This approximate solution is constructed by a direct assembly process
(5.14)
>
9 > , where 9 > 9 > 9 > . In other words, the true solution has
a minimum
By applying the PMPE, for the test loading
0
potential (PMPE).
, we
, , with the9 specific
> 9 > choice
9 > (kinematically
9 >:> 9 admissible)
.
obtain
The critical observation is that
when choosing 0
in Box 5.13, then ,
0
as defined in Box 5.14,
is also9 kinematically
admissible.
Therefore,
we have by direct
9 > 9 >:> 9 9 > 9 > >
.
expansion
"
1
Since
"
"
"
, it
96
9 ">
9
>
9
>
9
>
0
9 9 > 9 > >
(5.15)
90 >
By direct expansion we have
> . We have
09
0 by definition, 9 >
,
9
>
9 >
0
, and
, which implies
9 >
. By direct substitution this completes the first of the
9 >
"
"
5
"
5
assertions in Box 5.11. We can directly interpret the testing of many smaller samples
as simply the partitioning of a very large one which we cannot easily test (Figure
5.23). Therefore, for displacement tests, the averaged effective responses generated
will always bound the response of the very large sample from above. Therefore, the
average of the 100 sample tests provide us with tighter upper bounds on the response
of a very large sample. Therefore, by the previously proven results in Box 5.11, the
Reuss-Voigt bounds in Box 5.9 are tightened by the following factors
3
. . 3
.Q.G. .
03 3
JS
%
(5.16)
"
"
9 9
> 9 %> > 9 9 %> 9 > >
9
>
9
0
9 "> 9 %>
"
"
(5.17)
where
, being the stress
field produced by solving each subsample problem with the uniform stress boundary
conditions and forming
. By direct expansion we have
"
"
.
The complementary forms collapse to
,
and
7
is the subdomain complementary potential energy function for
, where
subdomain . By direct substitution this yields
0 >
9 %>
9
>
0 >
9 >
2
"
9
>
>
97
(5.18)
As for the primal (displacement) case, the second line of Box 5.18, and generalizations
to nonuniform loading, were developed in Zohdi and Wriggers [196]. The fourth line
has been derived in Huet [83] by other means.
5.7.0.1 Consequences/difficulties
with traction tests If the sample were
an RVE, we have
, then the preceding analysis yields the following
two sided ordering of approximate effective material responses,
(5.19)
>
We emphasize that
is an assumption, which may not be true for a
finite sized sample. Therefore, in theory, under the RVE assumption, traction tests
form lower bounds on the effective responses. However, traction tests pose great
difficulties, which are as follows:
1. Numerically pure traction boundary data cause rigid motions (singular FEM
stiffness matrices),
2. The
FEM is a method based upon generating kinematically admissible solutions
. The traction tests result is based upon the assumption that statically admissible trial field are generated. Statically admissible fields cannot be achieved
by a standard FEM approach,
3. True laboratory tests specifying the force on a sample are far more difficult
than specifying the displacements.
5.7.0.2 Isolating the subsampling error/numerical error orthogonality
According to the results in Box 5.11, we have the following normalized estimate:
* *
&
% (
/
$ %$
%
(5.20)
where, since we have used displacement controlled tests, we have used the Voigt
materials energy, which corresponds to assuming a constant strain throughout the
material equal to , to normalize the results.
98
@9
@
>
* *
1
9
N
>
@9 > @9
>
* * * *
- * * - * *
- * * - * *
! $ !
- * * - * *
* *
* *
% (
&
023
% (
&
7
% ( 0
&
% (
&
(5.21)
/
* *
*
C
/
* *
C
0
-
-
&
-
C
1
-
&
% (
(5.22)
%
(
and
. Therefore, the
where
expression in Box 5.22 indicates that the estimates made on the effective response
is an orthogonal sum of both the numerical and sampling error. Therefore, one can
isolate either the numerical or sampling error, if the other is known, or estimated, by
simply subtracting it from the the total expression (the lefthand side of Box 5.22).
Therefore, for example, approximating the numerical error by the error monitor, ,
we have
#
.
>
(5.23)
This quantity represents the isolated error in the internal fields induced by the partitioning or subsampling only.
99
We repeated the 100 sample tests procedure for samples containing significantly
higher volume fraction, approximately 32 . Unlike fiber-reinforced composites,
which can contain well over 50 volume fraction of fibers, particulate composites
usually contain no more than approximately 25 volume fraction of particulates.
Particulate volume fractions over 15 are already high in three dimensions. For the
relevant examples, 22 particulate volume fraction in three dimensions corresponds
roughly to 44
in two dimensions, while 32
in three dimension corresponds
roughly to 57
in two dimensions. Cross-sections of these volume fractions are
depicted in Figure 5.24. The results for the 32 case are tabulated in Table 5.3. The
averages for the effective properties of the samples were
33
. 0 3
0
. 0 3
(5.24)
where and are the averaged quantities from the 100 tests, and where the lower
and upper bounds are, respectively, the classical Reuss [151] and Voigt [183] bounds.
The Reuss-Voigt bounds in Box 5.24 are tightened by the following factors
3
.0 .
.
0 3 3 3
3 3
0 3
JS
%
.
(5.25)
#
.
03
>
.
Z3
(5.26)
33
.
3
. 0 3 .
.G. 3 .
%
%
(5.27)
100
QUAN.
'
(GPa)
(GPa)
(GPa)
0.001593
106.831
52.635
0.0523
48.950
.G. .
.
!
0.2505
0.5876
0.0044
1.716
1.350
3.095
0.0255
8
Table 5.3 Results of 100 material tests for randomly distributed particulate microstructures
(20 spheres, =0.85, or approximately 32 volume fraction).
'
(GPa)
(GPa)
(GPa)
0.001373
96.169
42.353
48.8984
0
0.1967
0.4647
1.7737
1.203
3.207
11
Table 5.4 Results of 512 material subdomains, each containing 20 randomly distributed
spheres for a total of 10240.
5.10
101
suppose we increase the number of particles per subsample even further, from 20 to
say 40 then 60, each time performing the 100 tests procedure. With this information
one could then possibly extrapolate to a (giant) sample limit. The results for the 40
and 60 particle cases are shown in Table 5.5 for 22 boron volume fraction. Using
these results, along with the 20 particle per sample tests, we have the following curve
fits
.
3 3
.
0
3 3
3Q0
where is the sample size, . is the diameter of the particles. Thus as
obtain estimates of
GPa,
GPa and
3Q0
0.
(5.28)
, we
GPa
as the asymptotic energy, effective bulk modulus, and effective shear modulus,
re
spectively. Indeed, judging from the degree of accuracy of the curve-fit, (
is perfect) the curve fit appears to be perfect for
. For
and , the slightly
less accurate reliability (regression values of
) is attributed to the fact that
absolute perfect isotropy is impossible to achieve with finite sized samples. In other
words the extrapolations using various samples exhibit slight isotropic inconsisten
cies. However, the energy , has no built-in assumptions whatsoever, thus leading to
the nearly perfect curve-fit. The monotonicity of the testing curves is to be expected,
and is explained further in the next chapter.
PART
DOF
40
40
40
40
0.2193
0.2193
0.2193
0.2193
98304
98304
98304
98304
60
60
60
60
0.1916
0.1916
0.1916
0.1916
139968
139968
139968
139968
QUAN.
'
(GPa)
(GPa)
(GPa)
'
(GPa)
(GPa)
(GPa)
.
0.0013617
95.7900
41.6407
60.3200
0.0013586
95.6820
41.4621
66.500
0.1413
0.3245
1.6302
3 3
0.1197
0.2801
1.9974
!
.
%
0 3
.
00
0.6600
1.590
7
0.6214
1.503
10
Table 5.5 Results of material tests for randomly distributed particulate microstructures for
*
100 (
, approximately 22 ) samples of 40 and 60 particles per sample.
102
5.11
It is possible to interpret the results in ergodic manner, which we now briefly discuss. In statistical mechanics a frequently invoked assumption is that of statistical
ergodicity. Importantly, in the context of material testing, Hills condition can be
interpreted as such an assumption. To see this, consider several bodies with the same
external geometry composed of the same material volume fractions but with different random microstructure. Let us focus on the same spot on each body (indexed
$
by
) and compute
, where N
is the number of macroscopic structures. The tensorial quantity,
, is called an
ensemble average (Figure 5.33). Now we perform another experiment. We have a
single body, and focus
on one spot,
but repeatedly
and enlarge the sample
compute
),
. This is our familiar
size (indexed by
(volumetric averaged)
effective
property.
A
classical
ergodicity
assumption is that as
that
. Therefore, volumetric averaging and ensemble averaging
yield the same result. In other words, an infinitely large samples volumetric average
must equal the ensemble average of infinitely many finite samples at a point, from
different bodies.
If we split the stress
and
strain fields into a purely fluctuating (zero mean) ( )
and average parts (
) we see by direct expansion:
- .
-+
0
+ 6.
02
9 >
! !
%> 9
>
"
"
. In other words, the product of two
The ergodicity assumption is that
purely fluctuating random fields is again purely fluctuating (Figure
5.34). The impli
cation is that as the sample becomes infinitely large that
is purely fluctuating.
This is exactly the implication of the Hill condition. This motivates the use of exterior
uniform loading for an infinitely large sample. Clearly, the partitioning, and the error
estimates, can be interpreted testing an ergodic assumption. However, the loadings
are still not rough enough, since it is clear that uniform loading is an idealization
and thus will only be present within the microstructure of a finite sized engineering
(macro)structure to an error. For more on ergodic hypotheses see the classical work
of Kroner [100].
103
104
0.001385
0.00138
0.001375
0.00137
0.001365
0.00136
0.001355
0
10
20
30
40
50
SAMPLE
60
70
-*
80
90
- *
100
25
SAMPLES
20
15
10
0.00136
0.00137
0.00138
0.00139
ENERGY (GPa)
-*
-*
Fig. 5.14 100 SAMPLES: The corresponding histogram for the variations in energy,
(GPa).
% %
105
96.8
KSTAR
96.7
96.6
96.5
96.4
96.3
96.2
96.1
96
95.9
95.8
95.7
0
10
20
30
40
50
SAMPLE
60
70
80
90
100
Fig. 5.15 100 SAMPLES: The bulk responses, , of a block with 20 randomly distributed
Boron spheres embedded in an Aluminum matrix. Each point represents the results of one test.
SAMPLES
20
15
10
95.75
96
96.25
96.5
Fig. 5.16 100 SAMPLES: The corresponding histogram for the variations in the effective
bulk responses, .
106
43.5
MUSTAR
43
42.5
42
41.5
41
0
10
20
30
40
50
SAMPLE
60
70
80
90
100
Fig. 5.17 100 SAMPLES: The shear responses, , of a block with 20 randomly distributed
Boron spheres embedded in an Aluminum matrix. Each point represents the results of one test.
20
SAMPLES
15
10
0
41
41.5
42
42.5
43
Fig. 5.18 100 SAMPLES: The corresponding histogram for the variations in the effective
shear responses, .
107
0.05
NUMERICAL ERROR
0.045
0.04
0.035
0.03
0.025
0
10
20
30
40
50
SAMPLE
60
70
80
90
100
Fig. 5.19 100 SAMPLES: The numerical error monitor of a block with 20 randomly
distributed Boron spheres embedded in an Aluminum matrix. Each point represents the results
of one test.
SAMPLES
20
15
10
0.025
0.03
0.035
0.04
0.045
Fig. 5.20 100 SAMPLES: The corresponding histogram for the variations in the numerical
error monitor .
108
52
51
50
49
48
47
46
45
0
10
20
30
40
50
SAMPLE
60
70
80
90
100
Fig. 5.21 100 SAMPLES: The Conjugate Gradient iterations of a block with 20 randomly
distributed Boron spheres embedded in an Aluminum matrix. Each point represents the results
of one test.
25
SAMPLES
20
15
10
46
48
50
52
Fig. 5.22 100 SAMPLES: The corresponding histogram for the variations in Conjugate
Gradient iterations needed for a solution.
109
X2
LARGE PROBLEM
STATISTICALLY
REPRESENTATIVE
SAMPLE
X1
k
PARTITIONED PROBLEM
"SUBSAMPLES"
Fig. 5.23 The idea of partitioning a sample into smaller samples or equivalently combining
smaller samples into a larger sample.
110
0.0014
ENERGY
0.001395
0.00139
0.001385
0.00138
0.001375
0.00137
0.001365
0.00136
0.001355
0.00135
0
100
200
300
SAMPLE
"%
400
-*
500
600
- *
140
130
120
110
SAMPLES
100
90
80
70
60
50
40
30
20
10
0.00135
0.00136
0.00137
0.00138
0.00139
ENERGY (GPa)
-*
-*
Fig. 5.26 512 SAMPLES: The corresponding histogram for the variations in energy,
(GPa).
% %
"
*
111
96.8
KSTAR
96.6
96.4
96.2
96
95.8
95.6
0
100
200
300
SAMPLE
400
500
600
120
110
100
SAMPLES
90
80
70
60
50
40
30
20
10
96
96.5
Fig. 5.28 512 SAMPLES: The corresponding histogram for the variations in the effective
bulk responses, .
112
44.5
MUSTAR
44
43.5
43
42.5
42
41.5
41
40.5
0
100
200
300
SAMPLE
400
500
600
160
140
120
SAMPLES
100
80
60
40
20
41
42
43
Fig. 5.30 512 SAMPLES: The corresponding histogram for the variations in the effective
shear responses, .
113
54
CG SOLVES
52
50
48
46
44
42
0
100
200
300
SAMPLE
400
500
600
Fig. 5.31 512 SAMPLES: The Conjugate Gradient iterations of a block with 20 randomly
distributed boron spheres embedded in an aluminum matrix.
110
100
90
SAMPLES
80
70
60
50
40
30
20
10
44
46
48
50
52
Fig. 5.32 512 SAMPLES: The corresponding histogram for the variations in Conjugate
Gradient iterations needed for a solution.
114
ENSEMBLE AVERAGING
MORE
BODIES
VOLUMETRIC AVERAGING
LARGER
SAMPLES
SAMPLE LENGTH
SAMPLE LENGTH
SAMPLE LENGTH
Fig. 5.34 An illustration of an ergodicity assumption. Essentially it states that the product
of two random purely fluctuating fields is also purely fluctuating and random.
6
Higher order statistics
, i=1, 2, ...N=samples)
-
"
*
(6.1)
9>
where
and
tribution, for example: (1)
expressed about the average and related to any other reference point, denoted here as
, using parallel axis type theorems. Using the notation in Box
6.1, let us define
. There are
useful properties associated with these relations, in particular a shifting property for
the standard deviation
115
116
"%
1
3
1
0
1
*
3
0
1
E
(6.2)
E
*
31
"
4
*
1
$
3
0
*
4
*
1
1
0
4
E
4
E
3
0
(6.3)
A4
-
3
*
3
0
A4
3
1
3
3
$
31
therefore,
$
-
1
0
3
1
*
4
$
(6.5)
We now proceed to bound the average, standard deviation and skewness associated
with the ensemble averaging of a population of samples.
(6.4)
E
Primal partitioning
Consider a (large) sample of material with the following general boundary value
representation
117
+"
*
-
-
*
*
(
#
&
#
8
*
-
(6.6)
Now partition the domain into S subdomains,
. The pieces do not have
to be the same size or shape, although for illustration purposes it is convenient to take
a uniform (regular)
partitioning
(Figure
6.1). Consider a kinematically admissible
function,
and
,
which
is projected onto the internal boundaries
(
) of the subdomains. Any subdomain boundaries coinciding with the exterior
surface retain their original boundary conditions (Figure 6.1). Accordingly,
we have
the following virtual work formulation, for each subdomain,
9 N>
+"
%
-
-
%
&
-
*
- *
5
E
<*
%
&
%
%
)(
*
*
(
8
0
(
#
/& #
-
(6.7)
The individual
subdomain solutions, , are zero outside of the corresponding sub
domain
. In this case the approximate solution is constructed by a direct assembly
process,
. The approximate
&
displacement field is in
, however,
the
approximate
traction
field is possibly
, will be given momentarily. It
discontinuous. Logical choices of , i.e.
>
118
@9 >
9 > @
the error in terms of
the potential energy,
@
0
9 , where
is any kinematically admissible function. This leads to
9 > 9 > > or 9 > 9 > , which0 is a form of the Principle
solution possesses a minimum
of Minimum Potential Energy. In other words, the true
9 9 > 9 > > . In the
potential. By direct substitution we have
, which is equivalent
with
special case that
to testing
9 each subsample
> , where
and
, then
"
6.2.2
>
"
@9
2
and
1"
Complementary partitioning
We can repeat the partitioning process for an applied internal traction set of tests. The
equivalent complementary form for the exact (undecomposed) problem is
+-"
8K5
*
)5
$ -
8K:
E
*
8;:
(
#
/& #
*,%
8
*
8;:
(6.8)
For the complementary problem, similar restrictions are placed on the solution and
test fields to force the integrals to make sense. In other words, we assume that solutions produce finite global energy. When employing the applied internal traction
approach, in order to construct approximate
solutions, a statically admissible func
, is projected onto the internal boundaries
tion, , with the property that
of the subdomain partitions. As in the applied displacement case, any subdomain
boundaries coinciding with the exterior surface retain their original boundary conditions. Accordingly, we have the
complementary virtual work formulation,
following
for each subdomain,
+-"
8 5
$ -
0
5
8;:
%
8;:
%
8;:
&
%
&
(
*
8K:
%
&
%
(
(
#
&
#
8
*
%
E
<*
(6.9)
The individual
subdomain solutions, , are zero outside of the corresponding
subdomain
. In this case the approximate solution is constructed by a direct
> 9
>
9
5 5
>
119
assembly process
The stress field is statically admissible, however, the approximate
displacement
field
, will be given
is possibly discontinuous. Logical choices of ,
momentarily. It should be clear that if
on the internal partition boundaries,
then the approximate solution is exact. We define the complementary norm
9 %>
9 %>
9 >
convenient to cast the error in terms of the potential complementary energy for the
,
case of linear elasticity, where
where is any statically admissible function. The well known
relationship,
for a
statically admissible function , is "
or
. This is a form of the Principle of Minimum Complementary Potential Energy.
In other words,
the true solution
possesses a minimum
complementary
potential.
Choosing
,
we
have
.
In
the
special
case
that
, which is equivalent
to
testing
each
subsample
with
,
"
,
where
9 >
and
6.2.3
>
9
>
(6.10)
9 >
9 >
where the
tensor inequality notation means, for example, that the difference ten
sor (
) is positive definite, etc. Since
, we also have
9 >
9 X>
. Alternatively, since
, then
. To
the knowledge of the author, the result in Box 6.10 was first derived in Huet [83],
however by other analysis techniques.
Remark: For isotropic responses, we have
6.2.4
(6.11)
9 9 > 9 >>
Since is kinematically admissible, we have "
. If
1
we
repartition
the
existing
subdomains
into
more
subdomains
(Figure
6.2),
and
use
for the local boundary conditions on the finer partition, upon solving the local
120
9 9 > 9 >>
"
"
1
"
(6.12)
This implies that the error monotonically grows for successively finer embedded partitions. Intuitively one expects this type of growth in the error, since one is projecting
more inaccurate data onto the interfaces. Simply stated, more embedded subdomains,
more error. Furthermore, the relationship is monotone. As in the displacement
controlled tests, for traction controlled tests we have
"
> 9
> 9
"
>
"
In terms
of effective properties, Equation 6.12 implies
>
>
>
(6.13)
"
. To streamline
.
$ -
$ -
(6.14)
The results of this section generalize and extend relations found in Huet [83],Hazanov
and Huet [68], Huet [91], Zohdi and Wriggers [196], Zohdi [201] and Zohdi et. al
[206].
Remark: For isotropic material responses we have
$ -
$ -
$ -
$ -
(6.15)
%
-5
Let us take any effective property, averaged over the subsample, denoted by ,
and correspondingly then is the average of all of the samples. Let
denote the
true effective property. Employing the notation
,
where is any arbitrary second order (strain) tensor.
9
>
121
6.3.1
$
$
6.3.2
$
$
$
$
$
(6.16)
E
1
$
$
0
0
$
(6.17)
$
$
$
1
122
and
1
1
$
$
(6.18)
$
$
$
$
$
$
$
$
(6.19)
Remark: In the case of isotropy, the moment results hold for the effective shear
and bulk moduli individually.
6.3.3
$
$
$
$
$
$
$
$
*
4
$
$
$
$
0
-
$
$
$
$
$
$
$
$
$
$
(6.20)
E
E
E
123
REMARKS
and as
$
$
*
*
$
4
$
4
$
$
0
-
-
$
0
$
3
3
$
-
(6.21)
$
$
$
$
$
$
$
$
(6.22)
The derived results allow one to bound, above and below, the unknown SRVE
response in terms of the ensembles averages. Related forms of the first order bounds
have been derived in various forms dating back to Huet [79], [80], [83], Hazanov and
Huet [68], Hazanov and Amieur [69] and Huet [90], [91], Zohdi et. al [194], Oden
and Zohdi [135], Zohdi and Wriggers [196],[203],[205], Zohdi [201] and Zohdi et.
al [206]. The second and third order bounds appear to have been unknown. Using
similar techniques, bounds on even higher order moments, such as the kurtosis (fourth
moment), which measures the peakness of the distribution, are possible.
6.4 REMARKS
The results derived here can be used in conjunction with a variety of methods to
perform large-scale micro-macro simulations. Noteworthy are the multiscale methods: Fish and Wagiman [32], Fish et. al [33], Fish and Belsky [34], Fish and Belsky
[35], Fish and Belsky [36], Fish et. al [37], Fish et. al [38], Fish and Shek [39],
Fish and Ghouli [40], Fish and Yu [41], Fish and Chen [42], Chen and Fish [21] and
Wentorf et. al [184], Voronoi cell methods: Ghosh and Mukhopadhyay [45], Ghosh
and Moorthy [51], Ghosh et. al [47], Ghosh and Moorthy [48], Ghosh et. al [49],
Ghosh et. al [50], Lee et. al [102], Li et. al [109], Moorthy and Ghosh [126] and
Raghavan et. al [149], transformation methods: Moulinec et. al [127] and Michel
et al. [124], partitioning methods: Huet [79], [80], [83], Hazanov and Huet [68],
E
$
$
$
$
3
$
3
$
$
$
4
$
124
Hazanov and Amieur [69] and Huet [90], [91] and the adaptive hierarchical modeling methods: Zohdi et. al [194], Oden and Zohdi [135], Moes et. al [125], Oden
and Vemaganti [136], Oden et. al [137] and Vemaganti and Oden [182] and finally
multipole methods adapted to such problems by Fu et. al [43]. Particularly, attractive are iterative domain decomposition type strategies, whereby a global domain is
divided into nonoverlapping subdomains. On the interior subdomain partitions an
approximate globally kinematically admissible displacement is projected. This allows the subdomains to be mutually decoupled, and therefore separately solvable.
The subdomain boundary value problems are solved with the exact microstructural
representation contained within their respective boundaries, but with approximate
displacement boundary data. The resulting microstructural solution is the assembly
of the subdomain solutions, each restricted to its corresponding subdomain. As in the
ensemble testing, the approximate solution is far more inexpensive to compute than
the direct problem. Numerical and theoretical studies of such approaches have been
studied in Huet [79], Hazanov and Huet [69], Zohdi et. al [194], Oden and Zohdi
[135], Zohdi and Wriggers [196],[203],[205], Zohdi [201] and Zohdi et. al [206].
Clearly, when decomposing the structure by a projection of a kinematically admissible function onto the partitioning interfaces, regardless of the constitutive law, the
error is due to the jumps in tractions at the interfaces (statical inadmissibility). If the
interfaces would be in equilibrium, then there would be no traction jumps. Therefore,
if the resulting approximate solution is deemed not accurate enough, via a-posteriori
error estimation techniques, the decoupling function on the boundaries of the subdomain is updated using information from the previously computed solution, and the
subdomains are resolved. Methods for updating subdomain boundaries can be found
in Zohdi et. al [206]. They bear a strong relation to alternating Schwarz methods (see
Le Tallec [105] for reviews) and methods of equilibration (see Ainsworth and Oden
[2]).
7
Domain decomposition
analogies and extensions
One can consider the multiple sample testing introduced in the last chapter as a type
of domain decomposition. In order to see this, we consider a partitioning approach
whereby a global domain, under arbitrary loading,is divided into nonoverlapping subdomains. On the interior subdomain partitions an approximate globally kinematically
admissible solution is projected. This allows the subdomains to be mutually decoupled, and therefore separately solvable. The subdomain boundary value problems are
solved with the exact microstructural representation contained within their respective boundaries, but with approximate displacement boundary data. The resulting
microstructural solution is the assembly of the subdomain solutions, each restricted
to its corresponding subdomain. The approximate solution is far more inexpensive
to compute than the direct problem. The work follows from results found in Zohdi
et al. [204].
+-"
)5
E
*
(
#
/& #
E
0
-
E
(7.1)
E
125
126
PROJECT A
KINEMATICALLY
ADMISSIBLE FUNCTION
where
+"
%
-
-
E
*
%
&
8
%
9 N>
*
(
%
&
)(
*
-
(
#
/& #
-
(7.2)
127
* "
*
0
*
-
%
*
1
%
9 N>
*
%
(7.3)
9 > 0
' '
'
'
128
DISCONTINUOUS TRACTIONS
- * *
5
5
*
- -
- -
-
/
-
5
8
+8.
-
5
* -
*
- * *
- * *
%
- -
- -
*
8B:
-
8
*
02
"7# !
-
(7.4)
=number of interior
subdomain interfaces. For the applied internal displacement case, the tractions may
suffer discontinuities at the interior subdomain boundaries (see Figure 7.2). In the
case of infinitesimal strain, linear elasticity, we have
129
* *
- * * *
#
" - * * - * *
- -
* *
% (
&
1
&
% (
8;:
(7.5)
9 > @
It is convenient to cast the error in terms of the potential energy for the case of
,
linear elasticity,
where is any kinematically admissible function. The well known relationship for
any kinematically admissible function is
"
"
9 >
(7.6)
which is the Principle of Minimum Potential Energy (PMPE). In other words, the
true solution possesses a minimum potential. Therefore,
since is kinematically
admissible, we immediately have "
. The critical
"
observation is that if we can bound
from below, then we can bound the error
from above. In other words, what we seek is
.
To bound
in terms of easily accessible quantities, we first calculate a computationally inexpensive, kinematically admissible, regularized test solution. The
regularized test solution, , is characterized by a virtual work formulation:
& *
+-"
5
9 >
9
*
9 9 > 9 >>
9 >
(
#
/& #
>
-
(7.7)
*
"
"
" .
, which implies
Our objective is to form an upper bound on "
in terms of , and
@
0
9 9 > 9 :> >
9 > 9 C
>
9 >
9 >
9 >
9 >
C
130
7.2.1
+-"
5
&
*
-
(
#
/&
#
E
*
&
8
8;5
%
5
5
&
$ -
*
8;:
8;:
8
&
(7.8)
. The equivalent
(
#
&
#
*,%
E
*
*
+-"
-
*
8;:
*
(7.9)
The solution to the constant coefficient problem, denoted the regular solution,
, is characterized by a virtual work formulation:
+-"
%
&
5
%
$ -
&
@
0
)5
8
-
*
(7.10)
5
8K:
8;:
&
E
*
&
(
#
/&
#
8B5
*
+-"
5
where
*
&
(
#
&
#
8B:
*
(7.11)
For the complementary problem, similar restrictions are placed on the solution and
test fields to force the integrals to make sense. In other words, we assume that solutions
produce finite global energy.
131
1
&
" - *
% (
-
&
* -
* *
3
3
(7.12)
E
"
*
2
3
*
*
3
-
8
(7.13)
5
% (
&
"
5
&
9 > 0. 9 > 9 > 0.
$ -
5
5
3
3
*
(7.14)
E
where
(7.15)
9 > 9
>
0.
@
.0
9
>
(7.16)
kinematically admissible
function,
we obtain
9 9
> , which
9
>
9
>
9 is>:> awhich
.
implies
0
>
9
>
. Combining
implies
If we choose
"
Also, choosing
"
"
*
*
* *
1
&
% ( 0
5
5
1
&
% ( 0
3
0
7
*
5
(7.17)
132
This estimate is an exact measure of this particular norm, and requires no computation of the exact microfield boundary value problem. If one wishes to isolate either the
primal or complementary norms, one must resort to two-sided bounding techniques.
Clearly, the primal norm is desirable in order to determine the starting vectors proxis kinematically admissible, from
imity to the exact fine-scale solution. Since
Equation 7.12, we immediately have
9 >
9 > 0.
9 > 0. 9 C
>
(7.18)
we
.
@
From Boxes (7.8) and (7.10),
@ , issoughtafter.
9
@
@
@
@
from both> sides yields
>
9
@
@
@
@
* *
- * * - * - * &
- * *
- *
- * * - * *
* *
- *
- *
% (
&
*
$ -
(7.19)
$ -
* *
1
&
% (
-*
C
&
- *
/
$ -
(7.20)
To derive this result we used the fact that a symmetric positive-definite matrix has
a unique square
Cauchy-Schwarz inequality. Note
root,
and
, the
that the
-bound depends only on
and . The process is repeated in
a similar manner to form a complementary upper bound:
5
5
1
&
% (
%
$ -
$ -
/
)5
&
K
$ -
$ -
)5
(7.21)
C
133
,
Analogous to the
-bound, the
-bound depends only on
. From Equation (7.17), lower primal and complementary bounds follow,
* *
5
5
&
*
3
*
% (
&
3
3
% (
0
*
*
3
*
5
5
5
5
0
3
*
* *
&
0
"
and
& (
$
% (
&
3
*
1
5
"
&)(
$
(7.22)
3
*
0
0
*
*
& (
$
& (
1
* *
1
5
&
% (
% (
&
&
& (
3
*
*
1
3
*
5
(7.23)
These two sided bounds hold for any loading, external geometry and pointwise
positive-definite microstructure. Related forms of such estimates can be found in
Zohdi [199].
7.2.2
* *
1
&
% (
-*
C
/
$ -
- * "
*
&
( 1
(7.24)
To derive this result we used the fact that a symmetric positive definite matrix has
a unique positive square
root,
Cauchy-Schwarz inequality.
and, theand
Note that the
-bound depends only on
. Therefore, using
Box 7.20 we have
, and thus
9 > 9 C
>
* *
* *
1
1@& &
&
% (
$ &
( (
*
3
9 > @
1
Therefore, in summary
3
1
E
*
&)(
% (
&
(7.25)
Remark I: Bounds of such type have been studied in Zohdi et. al [194], Oden
and Zohdi [135] and
Zohdi and Wriggers [196], however, they required that the decoupling solution be identical to
. Clearly this is unnecessary. In the preceding
bound, the tensor
did not have to be constant, and this has been exploited to
generate hierarchical micromechanical models in Zohdi et. al [194]. More general
134
theoretical aspects of such bounds, including their complementary (dual) formulation counterparts, can be found in Zohdi and Wriggers [196] and Zohdi [199]. Under
certain conditions, such bounds coincide with results found in Huet [78], [79].
Remark II: It is important to realize that the only approximation
in this entire
is an
estimate is "
. Thus the ratio
extremely good indicator of the quality of the estimate. Numerical and theoretical
studies of the proximity of to unity has been studied in Zohdi et. al [194], Oden
and Zohdi [135], Zohdi and Wriggers [196][200] and Zohdi [199]. It is clear that
is free to choose, provided it is symmetric and positive
the tensorial parameter
!
, in other words
,
definite. Thus, ideally, one would want to minimize
!
. Unfortunately, minimization of
is usually impossible,
since
" is unknown. However, another avenue tooptimize
bound
, is tothe
is possible. Formally, the process to obtain
the! optimal
choice,
maximize
"! . For example,
the lower bound
, in other words
if we consider a one-dimensional displacement controlled structure
C
*
7
(7.26)
E
&
*
&
% (
also maximizes
9>
A9 >
-
-
(. ) for
"
(7.27)
E
"
. This
value of
"!
102:3
. - + .
135
512 SUBDOMAINS
20 PARTICLES
PER SUBDOMAIN
MESH DENSITY
VARIABLE GAUSS RULES
Fig. 7.3 A large sample of Aluminum with 10240 embedded Boron particles. In reality the
2
2
2
, while the particles are approximately
sample is approximately
0.0035 mm in diameter.
::
(7.28)
0 0 0
136
same strain energy in each subdomain if the material had been uniform. 1 Therefore,
it is logical to (statistically) compare the solution behavior between the subdomains.
Throughout the tests a standard preconditioned Conjugate Gradient (CG) solver was
used. The primary premise for its (wide) use is that a solution, to tolerable accuracy,
operations, which is required with most
can be achieved in much less than
Gaussian-type techniques. For overviews of a variety of such methods see Axelsson
[8]. The CG method, is guaranteed to converge in iterations, provided the algebra is
performed exactly. At each iteration the computational cost is
operations, and
if the number of CG iterations is , then the total cost is
operations,
where typically
. Use of an iterative solver allowed the use of the vector as a starting
vector to speed up the solution process. In other words, a starting vector that captures
a-priori the long wave components (low frequency eigenmodes) of the solution is
advantageous. This increases the effectiveness of the CG searches for this class of
problems. A well known fact with regard to iterative solvers is the fact that they are
quite adept at capturing high-frequency responses. However, they typically may require many iterations to capture long-wave modes. For a discussion see Briggs [14].
For this decomposition, since the number of CG iterations to solve each subdomain
% (Table 5.4). Therefore, the cost to solve all of the subdomain
problem was
%
, as opposed to the direct cost of approximately
problems was
, where
. In this case the approximate cost savings are approxi
mately
. The
time to preprocess, solve and postprocess each 20 particle subdomain took no more
than one minute on a single RISC 6000 workstation. Clearly, the overall solution
process is trivially parallelizable.
We computed the following upper bound, which
coincided with the previous
chapters results, normalized by the energy of
, on the error
9 >
'
'
>
9
'
9 >
'
' '
* *
1
1
&
'
3
% (
&
1
% (
0.
2
stems from computing
where
!
5
(7.29)
% (
&
(7.30)
.
Remarks: In the general case, in order to determine the optimal regularization for
which
a given boundary value problem, one must search for the components of
minimize any one of the estimates derived earlier, which, for the sake of generality,
we denote by . This entails that boundary value problems must be solved repeatedly
to form, for example, a multivariate Newton-type search for the components of
1 Clearly,
137
.
"!
and must be determined numerically, for example using the finite element
method, to determine and its derivatives. As with most complicated systems, finite
difference approximations of the gradient and Hessian components are constructed
with respect to the search parameters by perturbing the search variables around a base
point. The reader is referred to Gill et. al [52] for details. The number of objective
function evaluations to construct the derivatives of numerically with respect to the
is triclinic, then there are up to
design variables can be large. For example, if
21 free constants, while for an isotropic material ther are only two free constants.
The construction of the discrete Hessian is the main expense, since the number of
objective functions to form it scales with the number of search variables as
.
There exist a variety of quasi-Newton methods, which approximate the Hessian in
order to reduce computational effort (see Gill et. al [52]). It is important to realize
, because
that these problems may possess multiple local minima with respect to
of the possibly nonconvex dependence of on
. To deal with this one should
restart the search from different starting guesses, to locate other potential minima, if
they exist. Alternatively, so-called GO (Global Optimization) techniques based upon
rapid, non-derivative stochastic function evaluation, may be useful alternatives. We
refer the reader to Horst and Tuy [76], Zhigljavsky [188] or Davis [27] for reviews.
we note that regardless of the search method, a restriction is that the tensor
Finally,
remain
positive definite. Clearly, for the class of problems under consideration,
solutions must be generated numerically, for example by the finite element method.
We now consider the effect of the use of the finite element method to generate a
subspatial approximation to
, denoted
denoted
. .
9 >
+"
*
- *
9 N>
*
-
*
*
&
9 N>
(
#
/& #
(7.31)
C
9 N>
, and thus
is kinematically
A critical point is that
admissible with respect to the true fine-scale problem. For the regularized and discrete
regularized solutions we have
* *
1
&
% (
3
*
(7.32)
E
and
138
* *
1
3
*
% (
&
*
*
(7.33)
* *
1
% (
&
* * * *
"
1 1
"
*
&
3
% ( 0
(7.34)
Clearly, the total difference is composed of two mutually orthogonal parts: (1) a
difference in scales and (2) a numerical error, introduced by spatial discretization
of the coarse scale problem. Formally speaking, estimates can be derived for the
complementary norm in a similar manner. However, there is a fundamental difficulty
with such an approach
space of admissible trial stress functions must satisfy
since the
!
equilibrium,
, and the test functions must be divergence free,
! . However, formally
proceeding we have
5
3
*
% (
&
5
*
5
(7.35)
E
and
5
1
5
% (
&
3
*
5
5
(7.36)
E
leading to
5
1
&
% (
5
3
" 1 &
1 "
1
&
% ( 0
(7.37)
Finally, by adding Equations 7.33 and 7.36 we obtain an exact mixed estimate for a
solution generated by a standard finite element method ( ) and a solution generated
by a method which generates a statically admissible solution ( )
* *
1
&
% ( 0
5
5
1
&
% (
3
*
0
(7.38)
139
+"
%
-
-
*
&
-
-
9 N>
9 N>
&
&
(
#
/& #
(7.39)
9 N>
&
. This inner approximation
A critical point is that
allows the development of a straightforward decomposition. Using a subspatial approximation, by direct expansion we have
*
- *
- *
*
- -
.
- * *
Subtracting
- *
*
*
-
- *
* *
* *
- * * - * *
- * * - * *
02
.
* * * *
0
$
(7.40)
- -
- *
- * *
2
0
% 8
- -
where, by Box 7.39, for
*
- -
%
*
- -
%
- -
*
- -
*
<*
(7.41)
- * *
(7.42)
E
* *
1
&
% (
* *
1
&
% ( 0
* *
1
&
% (
(7.43)
Therefore the estimate of the error, for example in Boxes 7.25 and 5.20 implicitly
contains the numerical discretization error. Clearly, the total error is composed of
140
9 >
9 >
;
.
;
$
$;
=
we have
. Therefore
the minimizer of the potential is also the solution to the discrete system. The
CG method is based upon minimizing by successively updating a starting vector.
Therefore, the substructuring method described in this
work can be considered as a
construction of an advanced initial starting guess, , to the solution of the global
problem formed by directly discretizing the entire body with no decomposition. If
we are to directly apply the CG method, one will reduce
, to the minimum
value for the corresponding global mesh discretization. Since a CG approach updates
all values in the entire domain simultaneously, via a global matrix-vector multiply,
each iteration can be thought of as providing global
transfer of information, i.e.
microstructural corrections to the initial solution , and thus the interfacial boundary
9 >
141
ITERATIVE EXTENSIONS
conditions. The minimum of the discrete potential is the global solution for the
given finite element discretization. However, instead of a direct application of the
, then
CG method, one can perform a set number of global CG iterations,
reevaluate the local boundary value problems with the new local boundary data. Per
subdomain we have
operation counts, where is the number of local
CG iterations for subdomain solution convergence. For simplicity, we have assumed
that one would use the CG method to solve each subdomain problem, and that
is approximately the same for each subdomain. Therefore, for total subdomains
we have
operation counts. Let us denote the number of times that
we globally iterate and resolve
the local problems
as, . Thus, in total, we have
. Therefore, a direct CG approach
and a projecting-global/local resolve approach compare as follows
9 >
9 >
9 9 > > 9 >
"
&
"
(7.44)
methods.
7.5.2
GLOBAL INTERFACE
PROBLEM IS SOLVED
142
+-"
*
-
5
-
&
(
DE *
&
(
#
/& #
(7.45)
)(
The new interfacial displacements are then computed, and the subdomain problems
are re-solved. The process is repeated until convergence. The entire interface problem
can be quite large. A less expensive approach, amenable to trivial parallel processing,
follows.
7.5.2.2 Local (nodal) equilibration
For local equilibration, one prescribes
(Figure
7.4), surrounding each interfacial
small non-intersecting
"nodal
domains",
( = number of interfacial nodes)
node
+-"
-
-
5
&
&
)(
(
(
#
/&
#
E
(7.46)
The new interfacial displacements are then computed, and the subdomain problems
are resolved. The process is repeated until convergence. The advantage of such an
approach is that the "nodal domains" can be processed independently of one another.
The disadvantage is that global equilibrium is not satisfied throughout the entire
interface. Either of the introduced approaches can be considered as a fixed-point
iteration, which we discuss next.
,9 >
102
/.
5
9 > 99 > 9
9 > 9 9 >>
9 >
9 >
> > 9 9 >:>
9 >
9 >
9 >
143
ITERATIVE EXTENSIONS
*
*
*
$ -
$ -
$ -
$ -
$ -
$ -
$ -
9
One
sees
that,
if
is
linear
and
invertible,
the
above
reduces
to
9 >>
9 > . Therefore, if the spectral radius of , i.e. the magnitude
of its largest eigenvalue, is less
" asthan unity .for each iteration , then for any
arbitrary starting solution
(7.47)
E1
E2
U(0)
U(L)
A 9 9 >
A >
9 >
102
2
3
1
- .
*
*
*
7
*
1
0
1
*
0
1
-
(7.48)
Since there is only a single one-dimensional interface, the global and local equilibration methods are
solution,
same. A simple starting value, that of the regularized
the
, where
is chosen. After some algebra we have,
, yielding
"
9 >
"
144
*
1
2
$ -
9.
1
0
$ -
E
(7.49)
1
2
> .
1
2
*
2
*
1
0
7
One sees that convergence occurs if
, which implies G . The rate of
convergence is linear and is controlled by the size of .
To illustrate the approach we compared it to classical a classical overlapping
Schwarz method (see Le Tallec [105]), which for this simple structure could be
written as
2
3
1
0
E
*
7
*
-
0
1
$
1
. .
0
1
E
*
(7.50)
Depicted in Figures 7.6-7.8 are the relative performances of both approaches
(equili
bration
and
overlapping
Schwarz).
The
parameters
were
,
GPa,
GPa. Each of the approaches iteratively improved the interfacial
data by balancing the jumps in the tractions via information exchange between subdomains. Clearly the overlapping Schwarz method attained a faster rate of convergence
since more information is provided via the fact that the entire extended subdomain
problem is solved during the iterative process. Generally, the local equilibration
method is less expensive to compute for three dimensional problems, however, as
illustrated by the preceding one dimensional example, it will probably exhibit slower
rates of convergence.
7.5.3
Remarks
Depending on the problem, one method may exhibit superiority over another in terms
of the overall cost for a desired solution accuracy. It is important to remark that, in
the general three dimensional case, for either the global/local CG approach or the
iterative equilibration appraoch, one can determine whether the solution is improving
by monitoring the potential of each iterate,
. A decreasing potential indicates
that the solution is improving since
and
"
is fixed. Clearly the error bound in Box 7.25 holds for the iteratively generated
kinematically admissible solutions, and is
* *
1
&
% (
3
*
9 >
3
9 9 > 9 >>
*
9 >
(7.51)
E
where
9
> 9:9
> @ >
ITERATIVE EXTENSIONS
9 9
> @ >
145
, and retain it for any subsequent
iterations, since it is iteration independent. As we have
indicated
earlier, the only
approximation in this entire estimate is "
, which is exact
for the previous one dimensional example, using the regularized parameter
Thus one should maximize
over
, via
"
* *
&
% (
* *
&
(7.52)
% (
E
146
0.5
EQUILIBRATION
OVERLAPPING SCHWARZ
0.45
0.4
NORMALIZED ERROR
0.35
0.3
0.25
0.2
0.15
0.1
0.05
0
0
10
15
20
ITERATIONS
25
30
35
40
0.5
EQUILIBRATION
OVERLAPPING SCHWARZ
0.45
0.4
NORMALIZED ERROR
0.35
0.3
0.25
0.2
0.15
0.1
0.05
0
0
"%
*
8
10
ITERATIONS
&
(
$
&
&
(
12
14
16
18
2
and
ITERATIVE EXTENSIONS
147
9e+08
EQUILIBRATION
OVERLAPPING SCHWARZ
8e+08
JUMP IN TRACTIONS
7e+08
6e+08
5e+08
4e+08
3e+08
2e+08
1e+08
0
0
10
15
20
ITERATIONS
25
30
35
40
9e+08
EQUILIBRATION
OVERLAPPING SCHWARZ
8e+08
JUMP IN TRACTIONS
7e+08
6e+08
5e+08
4e+08
3e+08
2e+08
1e+08
0
0
"
*
8
10
ITERATIONS
&
12
14
&
16
18
148
4e+06
EQUILIBRATION
OVERLAPPING SCHWARZ
3.5e+06
ERROR WORK
3e+06
2.5e+06
2e+06
1.5e+06
1e+06
500000
0
0
10
15
20
ITERATIONS
25
30
35
40
4e+06
EQUILIBRATION
OVERLAPPING SCHWARZ
3.5e+06
ERROR WORK
3e+06
2.5e+06
2e+06
1.5e+06
1e+06
500000
0
0
"
8
10
ITERATIONS
*
-
Fig. 7.8 "ERROR WORK"
*
*
2
overlap of
and BOTTOM for
&
12
&
14
16
18
. TOP for an
8
Nonconvex-nonderivative
genetic material design
Until this point in the analysis, we have considered the microstructure of the material as given data. It is important to realize that microstructural selections, such as
combinations of volume fraction, stiffness mismatches and particulate topology, are
usually the result of tedious trial and error laboratory experiments. In this chapter,
a computational strategy is developed to simulate and accelerate the associated trial
and error development of tailored dispersed-type materials. The objective is to develop a procedure to determine multiple possible microstructures that can deliver the
same prespecified effective linearly elastic response. The determination of multiple
possible microstructural combinations gives an engineer a wide variety of design
and manufacturing alternatives. However, there exist a variety of difficulties in the
computational design of macroscopic solid material properties formed by doping a
base matrix material with randomly distributed particles of different phases. Three
primary problems are (1) the wide array of free microdesign variables, such as particle topology, volume fraction and mechanical property phase contrasts, which force
associated objective functions to be highly nonconvex, (2) the associated objective
functions are not continuously differentiable with respect to design space, primarily
due to microscale design constraints, such as limits on the desired local stress field
intensities, and (3) the effective responses of various finite sized samples, of equal
volume but of different random distributions of the particulate matter, exhibit mutual
fluctuations, leading to amplified noise in optimization strategies where objective
function sensitivities or comparisons are needed. The effects in (3) become amplified
when computing design sensitivities or comparisons needed in optimization strategies, thus extremely large samples must be used to eliminate detrimental size effects.
The presented work concentrates on the parametrization of microscale parameters
149
150
S=10
S=2
S=1
S<1
;=
'
;=
;=
(8.1)
151
where
is a prespecified desired effective response,
is the effective response
produced by a trial microstructure, and where " " is an appropriate admissible norm
that is selected for the application at hand. A microstructural design can be defined
through an -tuple design vector, denoted
, for example
consisting of the following components: (1) the mechanical properties of the foreign
particulate matter (2) the volume fraction of the foreign particulate matter and (3) the
topology of the foreign particulate matter. Ellipsoidal shapes are qualitatively useful
since the geometry can closely represent a variety of particulate types, for example
platelets when the ellipsoids are oblate or needles (discontinuous fibers) when the
ellipsoids are prolate. Such shapes can be generalized by considering the following
(Figure 8.1):
0
where the
>
(8.2)
'
'
Particulate mechanical properties: for example, assuming local isotropy of the particles, the
bulk and shear moduli, 1 1 and : 1 (two variables).
"
"
(three vari-
,
4
Particulate orientation: for example, within the last decade there have viable been processing
methods developed to control the orientation of particulate matter by coating them with a conducting
liquid material and introducing them into the molten matrix material (three free variables, i.e. Euler
angles). Thereafter an electrical current is applied, forcing the particles to align themselves along
the field lines. This can produce globally anisotropic properties (see Michaud [124] for details).
Matrix mechanical properties: for example, if the matrix material is variable, assuming local
isotropy of the matrix material, 1 - and : - (two variables).
152
>
"!
Following
a standard
Newton-type multivariate search, a new design increment,
, for a microstructural
design vector, , is achieved by solving
, where
the following system,
),
is the Hessian matrix (
, is the gradient (
), with components
with components
and where
is the design increment (
), with components
. After the design
increment
has
been
solved
for,
one
then
forms an updated
design vector,
, and the process is repeated until "
.
Explicitly, the incremental system is
G
&
&
&
&
&
8.2.1
&
&
(
&
&
&
&
&
& (
&
(
&
& (
& (
& (
& (
(
(
(
(
& (
..
-
2
'
& (
&
&
&
&
(
(8.3)
A severe difficulty is that the system in Equation 8.3 becomes noninvertible throughout
the design space, due to the nonconvexity of the objective function . We illustrate
the problem of nonconvexity via a simple
one dimensional example. Consider a
simple one dimensional bar of length composed of random particles, i.e. strips in
one dimension. There are a total of
strips,
dark strips, each of thickness ,
and the white strips representing the rest of the material. The Youngs modulus
corresponds to the "particles", while corresponds the "matrix". Suppose
one
/#
,
of
such
a
structure
defined
by
wishes
to
design
an
effective
response,
5
two point boundary value problem,
. Consider
,
the following
, where is a constant. One finds that the effective response
,
is the harmonic average, which can be written as
9> 9 >
A 9
A >
where
of
and
(8.4)
(8.5)
153
MINIMIZATION METHODS
where
is a desired effective response. Following a standard Newton-type
multivariate search, a new design increment,
one would obtain the following Hessian
and
system for the two design variables,
=
&
(
&
(
&
(
*
&
(
&
(
(8.6)
&
(
1
However, this system becomes noninvertible throughout the design space, due to the
nonconvexity of the objective function . As an example see Figure 8.2.
COST FUNCTION
2.5
2
1.5
1
0.5
0
0.7
10
15
MISMATCH
20
25
30 0
0.1
8.2.2
0.2
0.8
0.6
0.5
0.4
VOLUME
FRACTION
0.3
2
*
and
2
Consider the deviation of the stress field from its volumetric average,
which leads to
0.9
(8.7)
Therefore
(8.8)
154
(8.9)
then the level of exceedance is incorIf the normalized deviation exceeds the
porated as a multilateral constraint to the macroscopic objectives by
"
8.2.3
"
C
"
"
if
where
be given shortly.
.
and
(8.10)
Independent of the problem with nonconvexity, due to the presence of design constraints, the objective may be nondifferentiable. For most complicated systems, usually finite difference approximations of the gradient and Hessian components are
constructed with respect to the design parameters. The finite difference size for the
approximate numerical derivatives, which is different for each component, is denoted
. In a practical setting, for example, for each variable, the numerical derivative
step sizes are scaled
current value of that variable, by a small num to the size of. the
ber
,
Numerically, the components of the gradient and
Hessian can be approximated by the following second order central finite difference
stencils such as
&
"! #!
#! #!
"! "!
! !
! !
#! #!
&
&
&
&
(8.11)
0
The number of objective
evaluations
to form the Hessian and
0 ofnecessary
. , wherefunction
gradient is
is the0 number
microstructural
design variables.
9 > objective evaluations
This stems from the fact that one needs
for the
off-diagonal terms of the Hessian, for the diagonal terms, and one evaluation
for the base point (the current design). Therefore even with a small number
of
0
design
variables
the
number
of
objective
function
evaluations
can
be
quite
large.
For
0
0 0 microstructural
0 variables introduced earlier, . , and one
example with
the 9 12
.
.
>
.
has
objective function evaluations per search step. It
'
is clear that the construction of the discrete Hessian is the main expense. There exist
155
% ' )( *
# &
%+ . '
# &
! !
! ! !/
,
-
0/1 324 ( 5 " )6 #
(
87 !
!9:
7 ! #
!;:
8
4 2 8 (<(
= ? >
#
>
#
=
& >
#
>
#
>
. @
(<( ( 4
87 4
-A@ >
0B1 ( 4 8 8" "
+ @ +
@ +
,
@ ,
@ ,
!C: (3(ED GF 4
3 !
0H1 3
JIK57 2 3I 4 8 # =
2
156
10
11
12
GLOBAL
MINIMUM
TWO OFFSPRING
GENE POOL
Fig. 8.3 LEFT: The class of objective functions of interest. MIDDLE: Genetic string
combinations. RIGHT: A loss of superior older genetic strings if the top parents are not
retained.
$
"
2
1 - 6
+
$ +
4B& -
6
4
1 1 6
+
$
"%
2
: - 6
8
1 It
-
$ 8
& -
1
$
/( & +
8 &4 +
198
$ +
"
)$' 1
(8.12)
"
(8.13)
: 1 6
8
$ 8
) ' 1
&+
6
8 &4 +
198
is remarked that if the function is allowed to be greater than unity, one can consider the resulting
convex combination (offspring) as a mutation.
157
A SEMI-ANALYTICAL EXAMPLE
where
and are the bulk moduli and
and
are the shear moduli of the respective phases (( ) and (
)), and where is the second phase volume
fraction. Such bounds are the tightest possible on isotropic effective responses, with
isotropic two phase microstructures, where only the volume fractions and phase contrasts of the constituents are known. As we have mentioned earlier, during effective
material design development, when selecting particulate micro-additives for a base
matrix, information about the changes in the otherwise (relatively) smooth internal
fields, corresponding to the matrix material alone, is valuable to characterize a new
tailored materials performance. One way to characterize the smoothness of the microscopic field behavior is via concentration tensors, which provide a measure of the
deviation away from
the
mean
fields
throughout the material. Consider the follow
! and (II)
ing identities: (I)
"# $
&%
"'(
")*
"#!*
"+ ,
. By direct manipulation
we obtain
-/.102
-5.02
-/.802
43
6
76
-/:702
-/:;02
43; =930>
6
76 ; =6>
-/:702
-5:702
-5:702
;= 3 >
' 6
6 6 ; = 6 >
-5:?0 2
; =3 6
76 ; =6' ; =<3+ >>=(>
2
2
2
2
where
6' ; =<3+ $ 3
A 76
B?C
E& F/G
=
)
;=
>
;=
'
3
;=
>
-5:?02
-5:702
2
(8.14)
(8.15)
6 7> =.>
;=
;=
$ 3 -/.802RQ;SUT
>
2
=
>
-5.102
-/.802
2
"+
K5M'P
(8.16)
H is known as the stress concentration tensor. Therefore, once either H or KVMWO are
known, the other can be determined. In the case of isotropy we may write
Q;SUT ) :6 : ' :X3
L6 1 ' 13
8 2
(8.17)
:6 ' :X3
76 1
1L6 ' 13
?6 :
7ZU[ "
]7ZU[ "
"^_
]"^/
\
where Y
and where Y
Clearly, the mi \ are minimally
)
a` . For. the
Y
Y
crostress fields
distorted
when
matrix, since
"# #
"
"
Pb
, therefore
b
5
1
.
02
-5.802
-5.802
-5.102
-/.102
' 6 =.>
' 6 =(>
(8.18)
2
2
2 =.>
43
43
Q;ST
Q;2 SUT
43
76
) '
+
8
Q;2 ST
43
?6
)'
8
Therefore for the deviation in the particulate stress fields away from the mean
(8.19)
158
`
(8.20)
Y
and
(8.21)
L
Y
!
`
(8.22)
and
`
% " ^ !" ^ 1 I % " ^ !" ^ !1
Y
" ^ " ^
I
Y
`
`
Y
(8.24)
Y
(8.23)
and
`
Y
Y
Y
`
Y
(8.25)
A SEMI-ANALYTICAL EXAMPLE
O
`&
O
O
`
159
`
P `
P `
P `
, (II) if
P
\ ,
where (I) if
P
, then \
, then \
'
, (IV) if
P
'
,
, then
, then
(III) if
P
, (VI) if
P
,
(V) if
P
, then
, then
, (VIII) if
`
(VII) if
P
, then
, then
. Here the design variables are
, and their constrained ranges
are P
,
, P
and ! P " # . There are
\
!
P+
&
We consider
matrix material (aluminum) of fixed material
a base
` values, 8
GPa and
GPa. The desired values are O
)) GPa, O
)
=0.5 and
GPa,
=0.5. The (constrained) design variables ranges are
5`
`
N`
`
P
,)
and
)
P
$
)
$
)
<
\
P
$
)
.
The
weights
were
set
to
<
`
)
. We used "
for the Hashin-Shtrikman bound combination. The number
of genetic strings was set to 1000, for ten generations, keeping the offspring of the
top 100 parents
after
` each generation. Three cases were considered: (I) Additionally
keeping top
)) parents after each generation, thus with 800 new genetic strings
`
infused and (II) Not keeping top
)) parents after each generation, thus with
900 new genetic strings infused.
Figure 8.2 depicts the results for several generations. After ten generations, a
dominant genetic has appeared for each approach ((I) and (II)). The minimization of
the cost function is guaranteed
to be monotone, if the top parents are retained, i.e.
% O
% O $ , where O $ and O are the best genetic strings from
%$'& (
*
.
/ 0 21 / 0
-&
)
&
0
0
160
SEARCH
K.P.C.
N.K.P.C.
K.P.N.C.
N.K.P.N.C.
1.972
2.172
2.377
2.507
4.755
5.730
6.753
7.408
0.3179
0.2771
0.2466
0.2311
0.0000000098
0.0000004874
0.0000000057
0.0000056610
Table 8.1 Top designs after 10 generations. K.P.C.=keeping parents with constraints,
N.K.P.C.=not keeping parents with constraints, K.P.N.C.=keeping parents with no constraints,
N.K.P.C.=not keeping parents with no constraints.
`
and respectively. There is no such guarantee if the top parents
generations
are not retained. While the nonretention of parents allows more newer genetic strings
to be evaluated in the next generation, numerical studies conducted thus far imply,
for sufficiently large populations, that the benefits of parent retention outweigh this
advantage, as well as any disadvantages of inbreeding, i. e. a stagnant population
with insufficient new genetic material. As the results illustrate, not retaining the
parents is suboptimal due to the possibility that inferior offspring will replace superior
parents. Furthermore, parent retention is computationally less expensive, since these
designs do not have to be reevaluated, although this was not a concern for the types
of simulations in this semi-analytical example.
an aluminum
(matrix)/boron
`
(
) ,
)
is
used as a stiffener for the aluminum matrix
, 1
). We used a moderate particulate volume fraction
(
of approximately 22 . The following particle per sample sequence (Figure 8.5) was
used to study the dependence of the effective responses on the sample size: 2 (5184
DOF), 4 (10125 DOF), 8 (20577 DOF), 16 (41720 DOF), 32 (81000 DOF) and 64
(151959 DOF) particles. A meaningful
parameter to track was the ratio of the diam
eter of the individual particles ( ) to the length of the sample ( ). Throughout the
tests, we considered
a single
satisfying Hills condition
4
combined
`boundary
` loading
(Hill [70]),
,
. We tracked the effective bulk
) ))
and shear moduli, O and O , respectively. At each sample size, size effects, i.e.
scatter in the effective responses, occur. To eliminate the effects of scatter, the tests
were performed 100 times for each sample size (each time with a different random
$
$'& (
161
0.018
KPC
NKPC
KPNC
NKPNC
0.016
0.014
FITNESS
0.012
0.01
0.008
0.006
0.004
0.002
0
1
5
6
GENERATION
10
0.12
KPC
NKPC
KPNC
NKPNC
0.1
FITNESS
0.08
0.06
0.04
0.02
0
1
5
6
GENERATION
10
Fig. 8.4 Generational values of (TOP) the best designs objective function and (BOTTOM)
the average of the best 10 designs objective functions.
particulate distribution) and the responses averaged. 2 Since the effective bulk and
shear responses behave in a quantitatively similar manner, for brevity, we show only
the effective shear responses. Figure 8.5 depicts the dependency of the responses
with growth in particle number per sample, keeping the volume fraction constant.
For example, the time to preprocess, solve and postprocess a ) particle sample finite
element test is roughly 10 seconds on a single workstation, using a research code
written by the author.3 For three successive enlargements of the number of particles,
i.e. 16, 32 and 64 particle samples, the responses differed from one another, on average, by less than 1 . Typically one will select reasonably large samples (for a
2 This
3 Of
162
given ) with a fixed number of particles, for example 20. However, the samples will
exhibit mutual fluctuations in their respective effective responses due to the various
random particulate realizations. A stabilization procedure is then applied, by which
a series of the samples are tested until the progressive ensemble average converges.
For example, consider a certain microstructural design specification ( ), and a process where a sample of finite size, with a random microstructure, is tested, and the
effective response recorded. Consider a repetition of the test for another equal sized
sample, with the same microstructural design vector, however with another random
microstructural realization. The tests are repeated, for more and more samples, until
the sequential
in the ensemble average falls below a given tolerance for further
` change
tests (
)
!$
/
$
$
$
(8.26)
However, one must also interatively enlarge the sample sizes. Therefore, one must
(1) for a given sample size, ensemble test the samples until stabilization and (2)
enlarge the sample (increase the number of particles with the volume fraction fixed)
and ensemble test the samples until stabilization (3) compare the results of (1) and
(2) and (4) if the difference is below a set tolerance then one may stop, however, if
the difference is above a tolerance the process (1)-(4) is repeated with larger samples.
From a practical point of view, adaptively selecting the number of samples needed
to stabilize the results is important since (1) it is impossible to know a-priori the
size for approximate stabilization of the samples, (2) it is impossible to know apriori how many samples to test for the ensemble average to stabilize and (3) it more
cost effective than simply taking a large (overkill) preset number of samples of a
large size. Therefore in Box 9.31, STEP 1.2, one must only replace COMPUTE
with ITERATIVELY ENLARGE AND ENSEMBLE-COMPUTE. This procedure
is quite effective in eliminating detrimental size effect noise.
8.6.1
KUM K M
KUM P .
The implication of
% O
O
O
O
O
% O
O
O
O
(8.27)
5184 DOF
d/L=0.595
48
10125 DOF
d/L= 0.472
163
(GPa)
(2)
46
20577 DOF
d/L= 0.375
41270 DOF
d/L= 0.298
44
2 =
(4)
(8)
81000 DOF
d/L= 0.236
(16)
(32)
42
(64)
151959 DOF
d/L= 0.188
40
50 60
10
20 30 40
NUMBER OF PARTICLES
43.5
MUSTAR
43
42.5
42
41.5
41
0
10
20
30
40
50
SAMPLE
60
70
80
90
100
Fig. 8.5 TOP: The values of the effective shear responses for samples containing increasingly
larger numbers of particles. One hundred tests were performed per particle/sample combination
and the results averaged. BOTTOM: 100 SAMPLES: The shear responses, , of a block with
20 randomly distributed boron spheres embedded in an aluminum matrix. Each point represents
the results of one test.
164
TRACTION TESTS
WITH LARGER SAMPLES
DISPLACEMENT TESTS
WITH LARGER SAMPLES
E*
D
D
E* E *
E*
E* +
D
E*
Fig. 8.6 Two sided envelopes for the infinitely sized samples objective function.
1
/
O
O, O
O
) ,
) and
where
the function
O
O
) . Generally,
% O
with
.
Referring
to
Figure
8.6,
we
see
that
if
,
then
O
O
O
O varies
% O , while if O
O , then % O
% O . If O
O
O
%
% O
O , then there is an indefinite relationship between
O and
O . For the
K5M O
KVM O and
tensorial analogue, the above results directly imply that, with KVM O
O
KVM
,
1
!"#$&%!')(! +*
,
.-0/ !1" , 1 2'3(546#7&%!')(! +8
(8.28)
O
O
O
9
If KVM O 9
, then there is an indefinite relationship between
5
K
M
N
K
M
V
K
M
/ /
8.6.2
The implication of
1
Remark I: It is clear that, in the case of displacement controlled tests, since the
ensemble-generated effective responses are stiffer than the true effective response,
they achieve the desired response K M O with microstructural designs that are, casually
9
SEARCH TYPE
K. P.
5.540
6.349
K. P. I. P.
4.728
N. K. P.
3.720
N. K. P. I. P.
3.730
AR
0.358
0.183
1.373
4.759
0.341
0.213
7.670
0.385
0.206
5.144
0.344
0.205
165
NUMERICAL IMPLEMENTATION
5.155
7.055
7.901
.00032
1.178
6.210
6.210
6.210
.00130
1.379
3.528
5.653
4.606
.00073
1.208
5.950
5.950
5.950
.00263
Table 8.2 Top designs and average of the top 6, after 10 generations. From top to bottom:
(1) keeping parents and with an nonisotropic polynomial order (2) not keeping parents and
with an nonisotropic polynomial order (3) keeping parents and with an isotropic polynomial
order (4) not keeping parents and with an isotropic polynomial order.
speaking, softer than they should be. For the case of traction controlled tests,
since the ensemble-generated effective responses are weaker than the true effective
response, they achieve the desired response KVM O
with microstructural designs that
are stronger than they should be. Mathematically speaking, the preceeding two
statement can be represented by
9
;/
= = = - / = =
- A/ B? C D *
= ;A/ = B? C = D 8
(8.30)
B?C
7
!"#%$%&('#)&(*,+-#/.%0214365
7
B7C
(8.31)
!")#)$8&9':#)&(*8+;#<'=2>?"@$2A
( ( (
CB
CB
166
0.07
0.06
FITNESS
0.05
0.04
0.03
0.02
0.01
0
1
5
6
GENERATION
10
0.18
KEEP PARENTS/NONISOTROPIC S
KEEP PARENTS/ISOTROPIC S
NOT KEEP PARENTS/NONISOTROPIC S
NOT KEEP PARENTS/ISOTROPIC S
0.16
0.14
0.12
FITNESS
0.1
0.08
0.06
0.04
0.02
0
1
5
6
GENERATION
10
Fig. 8.7 Top design (TOP) and top six average designs (BOTTOM) after 10 generations.
experiments. In other words, the same final designs occurred using finer meshes.
To illustrate the search process, continuing with 20 particle subsamples, the effective response produced by a sample containing approximately 22 boron spheres
in an aluminum matrix ( =25.9 GPa =77.9
The effec GPa) was firstcomputed.
and O
. Our objective
tive response was approximately O
was to find alternative
microstructures
which could deliver the same effective response ( O
and O
), while obeying the stress perturbation
constraints, to a specified tolerance.4 We considered an objective function of the
following form:
+9
the tests, we considered a single combined boundary loading satisfying Hills condition,
" # $! % & .
2
, !
4 Throughout
A A
167
NUMERICAL IMPLEMENTATION
B?C
!"#%$%&('#%&9*,+;#
7
.%02143 5
7
B7C
! "#)$8&('#)&(*,+-#
'=2>?"@$ 5
. .
.
.
!
A
B?C
D
+-#%$%& +;>,1
'! &(&)=2>8':'
With this in mind, the algorithm was started away from the original spherical aluminum/boron
design location,
however, still prescribing the same objective: O
and O
. The matrix material was fixed to be aluminum,
however, all other design parameters, with the exception of the particle orientations, since isotropic objectives were
sought,
` were allowed to vary. The following
weights were used:
`
. The following exponents were used
in Equation 8.32: !
. The constraints on the design
space were: (1)
5`
`
N`
`
,
(2)
)
P
$
)
)
P
$
` ) , (3)
5`
`
`
"%$
)
#"%$ P
"&$ $ ) , (4) (' P
'
' $ ) and (5)
.
The
volume
fraction
was
controlled
via a par)
)
*)P
)
) $
ticle/sample size ratio (one variable), defined by a subvolume size +(,.2
-0/ 1436 14351 ,
where 7 is the number of particles
in
the
entire
sample
and
where
is
the
length
B B
of the (cubical) sample,
. A generalized diameter is defined, , which
is the diameter of the smallest sphere that can enclose a single particle of possibly
non-spherical shape. The ratio between the generalized diameter and the subvolume
[
is one design parameter defined by ) ,. -0/ 8 9 . The number of genetic strings was set
to 20, for ten generations keeping the
offspring of the top 6 parents. Two cases
were
considered: (1) Keeping top
parents
and
(2)
Not
keeping
top
parents
and also keeping the polynomial order the same for all three axes and allowing all axes
to vary. It appears that even for isotropic overall responses, allowing the polynomial
order of the axes to vary appears to minimize the objective even further. Table 8.2 and
Figure 8.7 depict the results. As mentioned earlier, retaining the parents generates a
better set of designs at the end
of the multiple generation cycle. The total number of
% ` (B % : =< , where is the number of generations,
global evaluations is ;:
<
: is the total number of genetic strings in the population, and if the number of
parents kept after each generation. The minimization of the cost function is guaranteed to be monotone, if the top parents are retained. For the best design, generated
when retaining the parents and with nonisotropic topological exponents, 146 genetic
strings were tested after 10 generations. A total 1664 samples (each containing 20
particles) were tested to stabilize the ensemble averaging process, for an average of
11.8 with samples per string. The cuboid type microstructures that occur are similar
to microstructures generated by Vigdergauz ([192], [193]) as well as by Torquato and
Hyun [179], however for somewhat different objective functions in two dimensions
for periodic media. Clearly, the rounding of the corners of the particles of the cuboid
microstructure (Figure 8.8) is a product of the stress field constraints.
+9
-$
)
+9
(8.32)
168
8
8 8
8
Fig. 8.8 LEFT: The original spherical microstructure:
,
,
(volume fraction: 6
),
,
. RIGHT: A general alternative microstructure
(to spheres) produced by minimizing the perturbation in the stresses within the material while
maintaining the same effective response.
9
Inelastic responses
169
170
INELASTIC RESPONSES
9.1 INTRODUCTION
The focus of the presentation is primarily on the numerical and algorithmic aspects
of the solution to a class of time-dependent inelastic finite strain processes involving
simultaneous damage and plasticity in solids possessing randomly distributed particulate microstructure. The model problem considered is closely related to models found
in Huet [81]-[86], Huet et. al [87] and Huet [88]-[91]. Following the usual approach,
the spatial discretization of the heterogeneous microstructure is achieved by the finite
element method, while finite differences are used for the temporal discretization. For
this class of problems, in order to accurately capture the microstructure, one must use
extremely fine finite element meshes. Schemes based on attempts to solve the entire
system simultaneuosly (monolithically), then applying Newton-type algorithms, are
not robust due to the possiblity of a zero, or near zero, tangents that occur when
describing a weakening material. For example, consider a material law of the form
and is` a continuity
KNM 'I , where KVM is the virgin undamaged material,
(isotropic damage) parameter
(Kachanov
[95]),
where
)
indicates an
`
initial state, )
and
takes on different values
) . The scalar function
throughout the body, dictated by the evolution law. This constitutive law possesses
KNM I
KVM I , -0/ KNM
I . In this case,
a tangent of the form
KVM
can lose positive definiteness when the change in is sufficiently large, which
in turn will lead to an indefinite-type system of algebraic equations. This one primary
reason why explicit-type schemes enjoy wide usuage for complicated phenomena
involving damage.
One can interpret solution techniques of so-called "staggering-type" used in multifield simulation processes, whereby, within a time step, each field equation or evolution law is solved individually, allowing only the primary field variable to be active,
as a type of explicit approach, if the process is not recursive. In explict staggering
schemes, after the solution of each field equation, the primary field variable is updated, and the next field equation is addressed in a similar manner. In the standard
approach, after this process has been applied, only once, to all of the field equations,
the time step is incremented and the procedure is repeated. The classical solution
process is nonrecursive, and is highly sensitive to the order in which the field variables are staggeredly solved. The order of staggering is usually selected based upon
somewhat ad hoc arguments pertaining to which field drives the other. For example for a lightly coupled thermo-mechanical problem, within a time step, one might
first solve for the thermal field, using the displacement field from the previous time
step as given data, thereafter using the solved for thermal field as a given load in the
balance of momentum to solve for an updated value of the displacement field. Thereafter, the time step would be incremented, and the process repeated. For accurate
numerical solutions, such approaches require small time steps, primarily because the
staggering error accumulates with each passing increment. For details, see Park and
Felippa [145], Zienkiewicz [190], Schrefler [152], Lewis et al. [107] and Doltsinis
[28]. A particularly lucid review can be found in Lewis and Schrefler [108]. A further primary problem is when there are multiple fields with complicated coupling,
171
A MODEL PROBLEM
\
A structure which occupies an open bounded domain in
$ , with boundary
, is considered. The boundary consists of
on which the displacements
are
prescribed and a part Z on which tractions are prescribed. The mechanical properties
of the heterogeneous
material are characterized by a spatially varying elasticity tensor
\ \
KVM
$ 3 and various evolution (rate) parameters for describing inelastic strains
and damage in the material. KVM is assumed to be symmetric bounded positive definite
tensor-valued functions. For reasons of clarity, strong forms are used to derive the
governing equations, possibly assuming more regularity than warranted. Afterwards,
only the weak forms, which produce solutions which coincide with strong forms,
when the solutions are smooth enough, are employed.
172
INELASTIC RESPONSES
9.2.1
We first discuss infinitesimal strains and then a finite strain analog. To a first approximation the constitutive relationship can be written as KVM I
, where
is the Cauchy stress. The symbol is used for the inelastic strains. Specifically, we
describe the material changes (damage) and plastic strains via evolution laws of the
following form1:
A B7C D -
+*
*
- ; -
! , +*
A
B7C
D
" # $ - " Q ST "' & )( " &+*-,
& Q;ST + *
A
B7C
D
%
(9.1)
.0/1
.0/1
.0/1
.0/1
^
, 3
-0/ 2
^
, 3
-0/ 2
4^ [ Z6587:9
^
I
\
I
1 4^ [ Z6587:9
'
')
,
\ \O
)
\
ZU[
\
')
ML
1 The
field
173
A MODEL PROBLEM
9.2.2
A geometrically-nonlinear extension
):
< H
A B?C D
-
+*
- ; -
+ , +*
A
B?C
D
" $ - "
Q ST " &
( " & *-,
& Q;SUT +*
B?C
D
A
%
(9.2)
where
, ^ ZU,[ ^4 [ Z , -0^ / = ABA @?? ABA , ZU[ \ C ^ D$E F ,. -0/ = < , = ^ and = < being
\IH , P
material constants,
P , 4 [ Z P
^
4 [ Z P with flow activation conditions specified as specified previously where
,
are referential coordinates and are current coordinates. The
indicates
symbol
differentiation with respect to the current configuration. Such
#
a law is frame indifferent under rigid body rotations and translations. Clearly,
is objective as are the scalar-based evolution laws for and . By construction,
the geometrically nonlinear formulation matches the geometrically
linear case
for
M
infinitesimal deformations. If one adheres to the split
, then M
, where M
. The Eulerian spilt is closely
"$#
H
H
< # #
<
related to the well-known split of Green and Naghdi ([59], [60]), M # ,. -0/ M
M ,
where M , M # and M
are the total, elastic and plastic Green-Lagrange strains, has
been used. Casey [19] justifies the Green-Naghdi split as an approximation valid for
small elastic and moderate plastic strains. Computational aspects of such strain splits,
in the context of pure elastoplasticity, are discussed in Simo and Ortiz [167] and Simo
[168]. We remark that M
is
not a true elastic strain, except in very special cases.
One can simply consider M
M as an internal parameter used in a constitutive law,
which is not intended to have any kinematical meaning at finite strains. The Eulerian
2 As
with
174
INELASTIC RESPONSES
and
F
-
-
-
<
(9.3)
which collapses to a central difference-like stencil of
1 $
,
P Z $
when the time step size is uniform. For the evolution equations, consistent with the
fully staggered solution approach we freeze the and , using the most current
state variable values, and integrate analytically. Additionally, the geometric configuration of the system is frozen during each equation solve, and is updated only at the
end of each individual system iteration. This is essentially an updated Lagrangian
formulation, where all variables are referred to the last calculated configuration as opposed to a total Lagrangian formulation where all variables are referred to the initial
175
configuration. In this particular case, the last calculated configuration is the previously computed one within the staggering scheme. Employing weak formulations,
algorithmically the staggering scheme is as follows:
!#"%$
&('*)+-,/.0 21 #
!3435!1.!% "
&('*)+67 1 8 9(.! #:./;
<
= ">
==
=
?
= " *@ >
>
= =F
% <
= "> %
%
= ? %
= " % @ % = F
F
ED
=
?BA
= " A % @ > %
C
C
F F D ?
= F F
?
KML >O P
=
GH >
=JI
"N
&('*)+
9-MOQ9 2RS;3# 54J
.T
5U V I P
= JWXZY
= P
= F [ Y
= "\
^]7_O`MaJb/adceb*fhg8WjiJY
= g F [ Y
=
(
= lnm g
=joqp r $ s lnm P
= ltm P
= /uwv lnm P
= 2x
= !yz
= P
= v g z (
=}| P <P v g z
(
F
F F~
=t{
=t{
= vg z
= v g zO"$
(
( [
=
=t
F
GH x
= I
" KML A C
=
F F P
= P
= F F
=
&('*)+ -M3 H 3#539 1 ;3# 2
F F P
= F F
= u;
&('*)+754( 3# 4;;
H #" 1-
&('*)+-754( 3# 4
H 3#
n %7-"% .0 2(9R( #h
"k
(9.4)
Here
is the space of admissible trial functions, while
is the space of admissible
test functions. For most loading cases and data these spaces will correspond to
.
In an abstract setting, one can consider the following active set solution strategy
where the underlined variable is momentarily active,the corresponding field equations
solved, the active variable updated, and the process repeated for the next field equation:
S7
7
A
M
M4-}
-.8
s
7
M }
j} -
d
7
M
^
A
A
A
(9.5)
A
A in the form presented
A
A
A to algebraic
A
Writing the system
leads
systems which are symmetric and positive definite. Therefore, somewhat standard iterative solvers such as
the preconditioned Conjugate Gradient Method, can be used. Such solvers are highly
advantageous since any previous solution, from a previous time step or staggered
iteration can be used as the first guess in the solution procedure, thus providing a
head start in the solution process.
176
INELASTIC RESPONSES
It is advantageous to write
this in the
form
(9.6)
(9.7)
(9.8)
$
0 0
where,
if
as
L
(9.9)
for each iteration , then 0 L
for any arbitrary starting
solution
A
. If
is differentiable,
we
may
write
! = " #$
(9.10)
= "
= 5
0 13 2 = 4
5=
Therefore, unconditional convergence is attained if for 0 ,
!
!
!
& #$
% %
(9.11)
67
$ 8 , 0 .
9 0
177
9 0
9 = 0 0
<
6 0
0 0
9 0
(9.12)
where
9
,. -0/
0 1 2
5=
|
Equivalently, one can write
9 < 9 9 ~
4
= . As
(9.13)
mentioned at the outset of this work, one immediately sees a fundamental difficulty,
due to the possiblity of a zero, or near zero, tangent when employing a Newtons
can lose positive
method to a system describing a weakening material, since
definiteness when the change in is sufficiently large, which in turn will lead to an
indefinite-type system of algebraic equations. Therefore, while Newtons method
usually converges at a faster rate than a direct fixed point iteration, quadratic as
opposed to superlinear, its convergence criteria is less robust than the presented fixedpoint algorithm, due to its dependence on the gradients of the solution. In this work,
since we consider materials which experience damage and plasticity, under dynamics
conditions, it is unlikely that the gradients of remain positive definite and thus we opt
for the more robust gradient-less staggering scheme. A further issue complicating
the use of Newton-type schemes for simulation microheterogeneous solids is the
low regularity of the the operator with respect to , thus taking gradients highly
unattractive and in many cases impossible.
9.4.1
For the class of coupled systems considered in this work the coupled
operators
spectral radius is directly dependent on the time step discretization . We consider
a simple example which illustrates the essential concepts. Consider coupling of a
second-order system and two first order systems
;
*
;
*
(9.14)
9 ,
178
INELASTIC RESPONSES
,
< 1
< 9
and 1
9
4
)
)
<1
$
9
$
$ 1 <1
1
(9.15)
where is a time increment counter. For a recursive staggering scheme of Jacobitype, where the updates are made only after one complete iteration, considered here
only for algebraic simplicity, one has3
)
<1 0
31 2 4
0
$
$
0
$
$
$
)
)
0 4
132
)
The eigenvalues of
132
1
<1
1
0
0
$
$
0
$
-form yields
0
<1 0
$
1 $
<1 $
4 1
(9.16)
1
0
$
$
9
are 4 9
1
$ 1 <1
0
31 2
1
4
0
<1 0
1
0
$
$
$
(9.17)
operator
grows quasilinearly with the time step size, specifically, superlinearly as
9
. Following Zohdi [208], a somewhat less algebraically complicated example
illustrates a further characteristic of such solution processes. Consider the following
example of reduced dimensionality, namely a coupled first-order system
)
and
) . When discretized in time with a backward Euler scheme and
repeating the preceding procedure one obtains the following -form
<
<
)
132
)
4
3 A Gauss-Seidel-type
1
0
<1 0
!
0 132 <1 4
"
1 #
<1 # 0
(9.18)
approach would involve using the most current iterate. Typically, under very general
conditions, if the Jacobi method converges, the Gauss-Seidel method converges at a faster rate, while if
the Jacobi method diverges, the Gauss-Seidel method diverges at a faster rate. The Jacobi method is
easier to address theoretically, thus it is used for proof of convergence, and the Gauss-Seidel method at the
implementation level.
179
; +,
- +,
+,
0 132 4
+,
0 - 132 4 ;
; 888
(9.19)
and
; ,
- +,
+,
0 - 31 2 4
+,
0 12 4
; 888
(9.20)
As pointed out in Zohdi [208], the time step induced restriction for convergence
matches the radius of analyticity of a Taylor series expansion of the solution, which
converges in a ball of radius from the point of expansion to the nearest singularity,
around the previous time increment solution. In other
words, the limiting step size
is given by setting the denominator to zero,
! , which is in agreement
with the condition derived from the analysis of the eigenvalues of .
Generally speaking, if the recursive process is not employed, i. e. an explicit
scheme, the staggering error can accumulate relatively rapidly. However, an overkill
approach involving very small time steps, smaller than needed to control the discretization error, simply to suppress a nonrecursive staggering process error, is computationally inefficient. Therefore, the objective of the next section is to develop
a strategy to adaptively adjust, in fact maximize, the choice of the time step size
to control the staggering error, while simultaneously staying below a critical time
step size needed to control the discretization error. An important related issue is to
simultaneously minimize the computational effort involved. The number of times
the multifield system is solved, as opposed to time steps, is taken as the measure of
computational effort, since within a time step, many multifield system re-solves can
take place.
9.4.2
<
The type of contraction condition discussed is sufficient, but not necessary, for convergence. In order to construct an adaptive staggering strategy, we modify an approach
in Zohdi [208] originally
developed for thermochemical multifield problems, one ap
proximates #"
$ , where one
estimates the error within an iteration to behave
$ &%
according to
, where % is the initial staggering error
'% ,
and is a function intrinsic to the system. Our target or ideal condition is to meet an
error tolerance in a given number of iterations,
more, and not less. One
writes
)(*,not
+
54
z
this in the following approximate form,
-$
,
where
is the
%
/.1032
number of desired iterations. Therefore, if the error tolerance is not met in a desired
0
7 $
0
180
INELASTIC RESPONSES
number of iterations, the contraction constant is too large. Accordingly, one can
solve for a new smaller step size, under the assumption that is constant,
#
##
(*,+
C =z
C =
(9.21)
The assumption that is constant is not overly severe, since the time steps are to be
recursively refined and unrefined. Clearly, the expression in Equation 9.21 is used
4
for time step enlargement,
if convergence is met in less than iterations. One sees
(* +
4
that if % z %
and
, then the expression in Equation 9.21 collapses
to a
4
ratio of the error tolerance to the achieved level of iterative error after
iterations,
(*,+
=
= z C z , and thus the step size will be scaled by the ratio of the error
to the tolerance. We first define the normalized
error,
within each time step (
)
#
,
(9.22)
0
, -0/
(9.23)
:
u@ $ C = z
@ =$ C =
@
,. -0/
(9.24)
"!#
(
=<O
%$
! &N('*)(,+-/.
01-32/-5467!#80159". #
015>3?!#7-7!@2!A. #
;:
$ #
) *C C
B
&
=<O
=P
0159D7!#D.
019DL,M.
0F,32/,N4O7!#D019". #
015>3?!#7-7!@2!A. #
301GQ/N87!#;019
# ) HB $*C C #
!
5
;: z
(9.25)
NUMERICAL EXPERIMENTS
181
8
8
8
Material Property
(GPa)
(GPa)
#4
< # 4
#4
=
= <
Matrix
Particles
78
26
-0.1, -0.05, -0.01
-0.1, -0.05, -0.01
0.0001, 0.00005, 0.00001
100
100
2700
230
172
-0.2, -0.1, -0.02
-0.2, -0.1, -0.02
0.00005, 0.000025, 0.00005
300
300
2330
182
INELASTIC RESPONSES
<
7
(9.26)
8
<
<
NUMERICAL EXPERIMENTS
183
450
0.9
400
0.8
350
0.7
300
(MPa)
0.6
<>
<>
0.5
0.4
250
200
150
0.3
100
0.2
50
0.1
11-COMP
22-COMP
33-COMP
0
0
10
20
30
40
TIME (SEC)
50
60
70
10
20
30
40
TIME (SEC)
50
Fig. 9.2 For the strongest damage and plasticity rates (Table 9.1). LEFT: The volumetric
average of the degradation versus time. RIGHT: The volumetric average of the normal stresses
versus time.
60
70
184
INELASTIC RESPONSES
100
90
0.95
0.9
12-COMP
23-COMP
32-COMP
70
60
0.85
t (SEC)
<>
(MPa)
80
50
40
0.8
0.75
0.7
0.65
30
0.6
20
0.55
10
0.5
0
10
20
30
40
TIME (SEC)
50
60
70
10
20
30
40
TIME (SEC)
50
60
70
60
70
450
0.9
400
0.8
350
0.7
300
(MPa)
0.6
<>
<>
Fig. 9.3 For the strongest damage and plasticity rates (Table 9.1). LEFT: The volumetric
average of the shear stresses versus time. RIGHT: The adapted time step sizes versus time.
0.5
0.4
250
200
150
0.3
100
0.2
50
0.1
11-COMP
22-COMP
33-COMP
0
0
10
20
30
40
TIME (SEC)
50
60
70
10
20
30
40
TIME (SEC)
50
Fig. 9.4 For the middle damage and plasticity rates (Table 9.1). LEFT: The volumetric
average of the degradation versus time. RIGHT: The volumetric average of the normal stresses
versus time.
185
MULTIFIELD EXTENSIONS
110
100
0.95
0.9
12-COMP
23-COMP
32-COMP
80
70
t (SEC)
<>
(MPa)
90
60
50
40
0.85
0.8
0.75
30
0.7
20
10
0.65
0
10
20
30
40
TIME (SEC)
50
60
70
10
20
30
40
TIME (SEC)
50
60
70
60
70
Fig. 9.5 For the middle damage and plasticity rates (Table 9.1). LEFT: The volumetric
average of the shear stresses versus time. RIGHT: The adapted time step sizes versus time.
600
0.9
500
0.6
0.5
(MPa)
<>
0.7
400
<>
0.8
300
11-COMP
22-COMP
33-COMP
200
0.4
100
0.3
0.2
0
0
10
20
30
40
TIME (SEC)
50
60
70
10
20
30
40
TIME (SEC)
50
Fig. 9.6 For the weakest damage and plasticity rates (Table 9.1). LEFT: The volumetric
average of the degradation versus time. RIGHT: The volumetric average of the normal stresses
versus time.
- ;
-
(9.27)
186
INELASTIC RESPONSES
140
1.015
120
1.01
12-COMP
23-COMP
32-COMP
80
1.005
t (SEC)
<>
(MPa)
100
60
1
0.995
40
0.99
20
0
0.985
0
10
20
30
40
TIME (SEC)
50
60
70
10
20
30
40
TIME (SEC)
50
Fig. 9.7 For the weakest damage and plasticity rates (Table 9.1). LEFT: The volumetric
average of the shear stresses versus time. RIGHT: The adapted time step sizes versus time (no
adaptation was necessary).
which was introduced earlier. We now procede to explicitly identify each of the
terms in Equation 9.27.
9.6.1
<
We first discuss infinitesimal strains and then a finite strain analog. A simple classical
choice for the stored energy is
,. -0/
, where
denotes the infinitesimal strain,
the inelastic (eigen-) strains, such as thermal or
plastic strains, and denotes the heat capacity per unit mass. To a first approximation
,
the thermo-mechanical constitutive relationship can be written as
, where is the Cauchy stress,
is the coefficient (matrix in the
anisotropic case) of thermal expansion, and is the reference temperature at which
no thermal strains occur. The symbol is used for the sum of all inelastic strains.
With
, the following balance of energy can be written
<
(9.28)
4 This
J
and
H .
0 1 2 4
60
70
MULTIFIELD EXTENSIONS
9.6.2
187
A geometrically-nonlinear extension
As before, a relatively straightforward extension to the infinitesimal deformation constitutive laws is to employ the Eulerian (or Almansi) strain tensor
and
$ , and
. In light of the previously mentioned deformation ranges under consideration, namely small elastic deofrmations and moderate
inelastic strains, we make the following simple constitutive assumption
H
Therefore, since
-
-$
-
;
-
- ; 8
and thus
(9.29)
, we have
-$ ; ; ;
0
1 2
4
- 0 |
-
31 2
- ; ~ 4 8
<
{
{
(9.30)
Multifield staggering
188
INELASTIC RESPONSES
!#"%$
&('*)+-,/.0 21 #
!3435!1.!% "
&('*)+67 1 8 9(.! #:./;
<
= ">
==
= ?
= " @ >
>
= =F
% <
= "> %
%
= ? %
= " % @ % = F
?BA
= " A % @ > %
F
D ?
==
C
C
F F D
F F
?
KML 8v
= $ /, A
=
x
= I
"
C
KML >O
= P
=
>
= I
"N
=
" {
= <
=
]/_d`7ab/aOcQb*f-W
= F [
= "$
(
= l m v
= v l m
= z F (
= {
=
=
= z "
= =
= = =
F (
= {
z (
= {
<
z
v }zO
= z (
(
[
=
= {
=
|
=
(
<A
x <
;
= s A
= 4x
= ~ z
=
| A = 4x
= < = A = 2x
=
(
d
~ z
=
|
l m <P
= s
= d A
= 8x
= ! z
(
~
=
=
<
=
|
=
=
8x
A = 8x =
A
(
= {{
=
;
s
; ~ z
&('*)+MOQ9 2RS;3# 54J
.T
WXZY
= P
= F [ Y
= "\
^ ]7_O`MaJb/adceb*fhg8WjiJY
= g F [ Y
= "k
5U V I P
= J
(
= l m g
=jo $ s l m P
= l m P
= u v l m P
= 2x
= y z
= P
= v g z (
=}| P <P v g z
(
F
F F~
t
=
{
=t{
= vg z
= v g zO"$
(
( [
=
=
F
KML vO
= $ /, A
=
GH x
= I
"
C
&('*)+-M3 H 3#539 1 ;3# 2
F F P
= P
= F F
=
F F
=
= F F
=
Y
0
F F P
= F F
= u;
F F
= F F
= u
&('*)+754( 3# 4;;
H #" 1-
&('*)+!-754( 3# 4
H 3#
n %7-"% .0 2(9R( #h
KML >O
= P
= 0
GH >
= I
"N
&('*)+
9-M3n. H 1 / ;
{
&('*)
(9.31)
189
MULTIFIELD EXTENSIONS
Here and
are spaces of admissible trial functions, while + and
are
spaces of admissible test functions. For most loading cases and data these spaces
and . In an abstract setting, one can consider the following
will correspond to
active set solution strategy where the underlined variable is momentarily active, the
corresponding field equations solved, the active variable updated, and the process
repeated for the next field equation:
S7
7
7
7
A A
A A
A A
7
7
A
A
4-j
d
s
^
A A A s
7
A A A A A
A
d
A
- 8
-} -
4j
M
As before, we first define the normalized errors, within each time step (
,
7
}
(9.32)
(9.33)
, -0/
:
, -0/ :
%
(9.34)
Here, a general formulation has been written for a more general set of variables,
, -0/
which will
the
violation $
be
introduced later. One then determines
maximum
"
and a minimum scaling factor 7
from
where
, -0/
u $ C = z
@
@ = =
C
@ $
(9.35)
190
INELASTIC RESPONSES
M %$
,>-"!#
(
%<O
%<O
%P
01-32/,N4O7!#DA 019". #
015>3?!#7,7!@2,!A. #
019 7!#D.
,>-"?!#5 5
0F-59"L3ME.
: :
#
) *C C
HB
01-3238,5467!#80F-59D. #
013/!#7,7!@2,!A. #
-01GG/N87!#80F-59
! &N
#
) HB *C C
) -+,5 ?.
z
z
: :
A
&
(9.36)
10
Closing comments
191
192
CLOSING COMMENTS
11
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