Documenti di Didattica
Documenti di Professioni
Documenti di Cultura
Theory Manual
Contributors
Steve Maas (steve.maas@utah.edu)
Dave Rawlins (rawlins@sci.utah.edu)
Dr. Jeffrey Weiss (jeff.weiss@utah.edu)
Dr. Gerard Ateshian (ateshian@columbia.edu)
Contact address
Musculoskeletal Research Laboratories, University of Utah
72 S. Central Campus Drive, Room 2646
Salt Lake City, Utah
Website
MRL: http://mrl.sci.utah.edu
FEBio: http://febio.org
Forum
http://mrlforums.sci.utah.edu/forums/
Development of the FEBio project is supported in part by a grant from the U.S. National
Institutes of Health (R01GM083925).
Table of Contents
Table of Contents .............................................................................................................. 2
Chapter 1. Introduction ................................................................................................... 6
1.1. Overview of FEBio .............................................................................................................. 6
1.2. About this document ............................................................................................................ 6
Chapter 2. Continuum Mechanics .................................................................................. 8
2.1. Vectors and Tensors ............................................................................................................. 8
2.2. The Directional Derivative ................................................................................................ 11
2.3. Deformation, Strain and Stress .......................................................................................... 12
2.3.1. The deformation gradient tensor ................................................................................. 12
2.3.2. Strain ........................................................................................................................... 13
2.3.3. Stress ........................................................................................................................... 13
2.4. Hyperelasticity ................................................................................................................... 14
2.4.1. Isotropic Hyperelasticity ............................................................................................. 15
2.4.2. Isotropic Elasticity in Principal Directions ................................................................. 16
2.4.3. Nearly-Incompressible Hyperelasticity ...................................................................... 17
2.4.4. Transversely Isotropic Hyperelasticity ....................................................................... 18
2.5. Biphasic Material ............................................................................................................... 20
2.5.1. Governing Equations .................................................................................................. 20
2.6. Biphasic-Solute Material ................................................................................................... 22
2.6.1. Governing Equations .................................................................................................. 22
2.6.2. Continuous Variables .................................................................................................. 25
2.7. Triphasic and Multiphasic Materials ................................................................................. 26
2.7.1. Governing Equations .................................................................................................. 27
2.8. Mixture of Solids ............................................................................................................... 30
2.9. Equilibrium Swelling ......................................................................................................... 32
2.9.1. Perfect Osmometer...................................................................................................... 33
2.9.2. Cell Growth................................................................................................................. 33
2.9.3. Donnan Equilibrium Swelling .................................................................................... 34
2.10. Chemical Reactions ......................................................................................................... 36
2.10.1. Solid Matrix and Solid-Bound Molecular Constituents............................................ 36
2.10.2. Solutes ....................................................................................................................... 37
2.10.3. Mixture with Negligible Solute Volume Fraction .................................................... 38
2.10.4. Chemical Kinetics ..................................................................................................... 38
Chapter 3. The Nonlinear FE Method .......................................................................... 40
3.1. Weak formulation for Solid Materials ............................................................................... 40
3.1.1. Linearization ............................................................................................................... 40
3.1.2. Discretization .............................................................................................................. 41
3.2. Weak formulation for biphasic materials ........................................................................... 44
3.2.1. Linearization ............................................................................................................... 44
3.2.2. Discretization .............................................................................................................. 46
3.3. Weak Formulation for Biphasic-Solute Materials ............................................................. 48
3.3.1. Linearization of Internal Virtual Work ....................................................................... 50
Chapter 1. Introduction
1.1. Overview of FEBio
FEBio is an implicit, nonlinear finite element solver that is specifically designed for applications
in biomechanics. It offers analyses, constitutive models and boundary conditions that are relevant
for this particular field. This section describes briefly the available features of FEBio. A more
detailed overview of features can be found in the Users Manual.
FEBio supports two analysis types, namely quasi-static and quasi-static poroelastic. In a quasistatic analysis the (quasi-) static response of the system is sought; inertial terms are ignored. In a
quasi-static poroelastic analysis a coupled solid-fluid problem is solved. The latter analysis type
is useful for modeling tissues that have high water content and the explicit modeling of fluid
movement relative to the solid phase is important.
Several nonlinear constitutive models are available to allow the user to model the often
complicated biological tissue behavior. Several isotropic constitutive models are supported such
as Neo-Hookean, Mooney-Rivlin, Veronda-Westmann, Arruda-Boyce and Ogden. These models
have a nonlinear stress-strain response. In addition to the isotropic models, there are several
anisotropic models available. These materials show anisotropic behavior in at least one preferred
direction and are useful for modeling biological tissues such as tendons, muscles and other
tissues that contain fibers. FEBio also contains a rigid body material model, which can be used to
model rigid structures whose deformation is negligible compared to the deformable geometry.
Biological tissues can interact in very complicated ways. Therefore FEBio supports a wide range
of boundary conditions to model these interactions. These include prescribed displacements,
nodal forces, and pressure forces. Deformable models can also be connected to rigid bodies so
that the user can model prescribed rotations and torques. Rigid bodies can be connected with
rigid joints. Even more complicated interactions can be modeled using FEBios contact
interfaces. The user can choose between different types of contact interfaces, such as sliding
interfaces, tied interfaces and rigid wall interfaces. A sliding interface is defined between two
surfaces that are allowed to separate and slide across each other but are not allowed to penetrate.
The rigid wall interface is also similar to the sliding interface, except that one of the contacting
surfaces is a movable rigid wall. As of version 1.2, there is an implementation of a sliding
interface that allows for fluid flow crossing the contact interface. The tied interface is similar to
the sliding interface, but in this case, the surfaces are not allowed to slide or separate. In addition,
the user may specify a body force which can be used to model the effects of gravity or base
acceleration.
add features to the code, and this manual, which describes the theory behind most of the FEBio
algorithms.
The purpose of this manual is to provide theoretical background on many of the algorithms that
are implemented in FEBio. In this way the user can develop a better understanding of how the
program works and how it can be used to create well defined biomechanical simulations. The
authors have tried to be as detailed as possible to make the text coherent and comprehensible, but
due to the complexity of some of the topics, some descriptions only skim the surface. Many of
the theoretical ideas discussed in this manual can and have filled entire bookshelves. The
explanations contained herein should be sufficient to give the reader a basic understanding of the
theoretical developments. References to textbooks and the primary literature are provided for
further reading.
Chapter 2 starts with a brief overview of some of the important concepts in continuum
mechanics. Readers who are already familiar with this field can skip this chapter, although the
material may be useful to get familiar with the notation and terminology used in this manual.
Chapter 3 describes the nonlinear finite element method. It also explains the Newton-Raphson
method, which is the basis for most implementations of the nonlinear finite element method. A
more specialized version of this algorithm, the BFGS method, is described as well since it is used
in FEBio.
In Chapter 4 the different element types that are available in FEBio are described in detail.
FEBio currently supports 3D solid elements, such as the linear hexahedral, pentahedral and
tetrahedral elements, as well as quadrilateral and triangular shell elements.
Chapter 5 contains a detailed description of the material models in FEBio. Most of these models
are based on hyperelasticity, which is introduced in chapter 2. Several transversely isotropic
materials are described as well. This also discusses the biphasic material and its implementation
in FEBio.
Chapter 6 describes the basics of the theory of contact and coupling. In FEBio the user can
connect the different parts of the geometry in a variety of ways. There are rigid interfaces where
a deformable model is attached to a rigid model, rigid joints where two or more rigid bodies
connect, and sliding interfaces where two surfaces are allowed to separate and slide across each
other but are not allowed to penetrate. The various contact and coupling algorithms are discussed
as well together with their implementation in FEBio.
uv =
ui vi .
(2.2)
u2 v3 u3v2
u =
v u3v1 u1v3 .
u1v2 u2 v1
(2.3)
ui v j .
( u v )ij =
(2.4)
Note that vectors are also known as first order tensors. Scalars are known as zero order tensors.
The outer product, defined by equation (2.4), is a second order tensor.
Second order tensors are denoted by bold, capital letters, e.g. A. Some exceptions will be made
to remain consistent with the literature. For instance, the Cauchy stress tensor is denoted by .
However, the nature of the objects will always be clear from the context. The following
operations on tensors are defined. Assume A and B are second-order tensors.
tr=
A I=
: A Aii .
(2.5)
(2.6)
ij .
In general the components of tensors will change under a change of coordinate system.
Nevertheless, certain intrinsic quantities associated with them will remain invariant under such a
transformation. The scalar product between two vectors is such an example. The double
contraction between two second-order tensors is another example. The following set of
invariants for second-order tensors is commonly used:
I1 = tr A,
1
2
( tr A ) tr A 2 ,
2
I 3 = det A.
=
I2
(2.7)
(2.11)
w2 w1
0
(2.12)
(2.13)
(2.14)
10
A11
A
22
A
[ A ] = A33 .
12
A23
A13
(2.15)
Higher order tensors will be denoted by bold, capital, script symbols, e.g. . An example of a
third-order tensor is the permutation tensor ijk , whose components are 1 for an even permutation
of (1, 2,3) , -1 for an odd permutation of (1, 2,3) and zero otherwise. The permutation symbol is
useful for expressing the cross-product of two vectors in index notation:
ijk u j vk .
(2.16)
( u v )i =
An example of a fourth order tensor is the elasticity tensor which, in linear elasticity theory,
relates the small strain tensor and the Cauchy stress tensor = : .
Higher order tensors can be constructed from second order tensors in a similar way as second
order tensors can be constructed from vectors. If A and B are second order tensors, then the
following fourth order tensors can be defind by requiring that the following must hold for any
second order tensor X :
(2.17)
( A B) : X =
(B : X) A ,
( A B ) : X = A X BT ,
( A B ) : X =A XT BT ,
( A B ) : X= 12 ( A X B + A X
T
(2.18)
(2.19)
BT ) .
(2.20)
A ik B jl ,
( A B )ijkl =
(2.22)
( A B)
(2.23)
( A B )=
ijkl
ijkl
=
Ail B jk ,
1
( Aik B jl + Ail B jk ) .
2
AT = : A .
where = I I and = I I . The components are given by:
(2.24)
(2.25)
11
ijkl = ik jl ,
ijkl = il jk .
(2.26)
d
f (x + u) .
(2.27)
d =0
The quantity x may be a scalar, a vector or even a vector of unknown functions. For instance,
consider a scalar function f ( x ) , where x is the position vector in 3 . In this case the directional
derivative is given by:
Df ( x ) [u ]
=
d
d
Df ( x ) [u ]
=
=
f (x + u)
=0
f
ui
xi
(2.28)
=f u .
Here, the symbol (del) depicts the gradient operator.
The linearization of a function implies that it is approximated by a linear function. Using the
directional derivative, a function f can be linearized as follows:
f ( x + u ) f ( x ) + Df ( x ) [u ] .
(2.29)
The directional derivative obeys the usual properties for derivatives.
(a) sum rule: If
f= f1 + f 2 , then
Df
=
( x ) [u] Df1 ( x ) [u] + Df 2 ( x ) [u ] .
(2.30)
f= f1 f 2 , then
Df ( x ) [u=] f1 ( x ) Df 2 ( x ) [u ] + f 2 Df1 ( x ) [u ] .
(2.31)
Df ( x ) [u ] = Dg ( h ( x ) ) Dh ( x ) [u ] .
(2.32)
12
The displacement map u is defined as the difference between the spatial and material
coordinates:
x= X + u ( X ) .
(2.34)
The deformation gradient is defined as
.
(2.35)
F=
X
0 = J .
Here
(2.37)
When dealing with incompressible and nearly incompressible materials it will prove useful to
separate the volumetric and the deviatoric (distortional) components of the deformation gradient.
,
Such a separation must ensure that the deviatoric part of the deformation gradient, namely F
does not produce any change in volume. Noting that the determinant of the deformation gradient
must therefore satisfy,
gives the volume ratio, the determinant of F
13
= 1.
det F
(2.38)
2.3.2. Strain
The right Cauchy-Green deformation tensor is defined as follows:
(2.41)
C = FT F .
This tensor is an example of a material tensor and is a function of the material coordinates X.
The left Cauchy-Green deformation tensor is defined as follows:
(2.42)
b = FFT .
This tensor is an example of a spatial tensor and is a function of the spatial coordinates x. The
implementation of the updated Lagrangian finite element method used by FEBio is described in
the spatial configuration.
The left and right deformation tensors can also be split into volumetric and deviatoric
components. With the use of,(2.39) the deviatoric deformation tensors are:
T
F
=
=
C
F J 2/3C ,
=
T J 2/3b .
=
b FF
(2.43)
The deformation tensors defined above are not good candidates for strain measures since in the
absence of strain they become the identity tensor I . However, they can be used to define strain
measures. The Green-Lagrange strain tensor is defined as:
E
=
1
(C I ) .
2
(2.44)
This tensor is a material tensor. Its spatial equivalent is known as the Almansi strain tensor and is
defined as:
=
e
1
I b 1 .
2
(2.45)
In the limit of small displacement gradients, the components of both strain tensors are identical,
resulting in the small strain tensor or infinitesimal strain tensor:
T
1 u u
=
+
(2.46)
.
2 x x
Note that the small strain tensor is also the linearization of the Green Lagrange strain,
DE [u ] = FT F .
(2.47)
2.3.3. Stress
The traction t on a plane bisecting the body is given by,
14
t= n ,
(2.48)
where is the Cauchy stress tensor and n is the outward unit normal vector to the plane. It can
be shown that by the conservation of angular momentum that this tensor is symmetric ( ij = ji )
[3]. The Cauchy stress tensor, a spatial tensor, is the actual physical stress, that is, the force per
unit deformed area. To simplify the equations of continuum mechanics, especially when working
in the material configuration, several other stress measures are often used. The Kirchhoff stress
tensor is defined as
= J .
(2.49)
The first Piola-Kirchhoff stress tensor is given as
(2.50)
P = JF T .
Note that P, like F, is not symmetric. Also, like F, P is known as a two-point tensor, meaning it
is neither a material nor a spatial tensor. Since we have two strain tensors, one spatial and one
material tensor, it would be useful to have similar stress measures. The Cauchy stress is a spatial
tensor and the second Piola-Kirchhoff (2nd PK) stress tensor, defined as
(2.51)
S = JF 1F T ,
is a material tensor. The inverse relations are:
=
1
1
1
T
=
,
PF
=
,
FSFT .
J
J
J
(2.52)
In many practical applications it is physically relevant to separate the hydrostatic stress and the
deviatoric stress of the Cauchy stress tensor:
(2.53)
= + p1 .
Here, the pressure is defined as p =
tr = 0 .
1
tr . Note that the deviatoric Cauchy stress tensor satisfies
3
The directional derivative of the 2nd PK stress tensor needs to be calculated for the linearization
of the finite element equations. For a hyperelastic material, a linear relationship between the
directional derivative of S and the linearized strain DE [u ] can be obtained:
DS [u ]= : DE [u ] .
(2.54)
Here, is a fourth-order tensor known as the material elasticity tensor. Its components are
given by,
S IJ
4 2
=
=
,
(2.55)
IJKL
EKL CIJ CKL
where is the strain-energy density function for the hyperelastic material. The spatial
equivalent the spatial elasticity tensor can be obtained by,
cijkl =
1
FiI FjJ FkK FlL IJKL .
J
(2.56)
2.4. Hyperelasticity
When the constitutive behavior is only a function of the current state of deformation, the material
is elastic. In the special case when the work done by the stresses during a deformation is only
dependent on the initial state and the final state, the material is termed hyperelastic and its
behavior is path-independent. As a consequence of the path-independence a strain energy
15
function per unit undeformed volume can be defined as the work done by the stresses from the
initial to the final configuration:
t
(F ( X) , X) =
P ( F ( X ) , X ) : F dt .
(2.57)
t0
P : F .
(2.58)
Or alternatively,
PiJ =
FiJ .
i , J =1
P (F ( X) , X) =
(2.59)
iJ
( F ( X ) , X )
.
(2.60)
F
This general constitutive equation can be further simplified by observing that, as a consequence
of the objectivity requirement, may only depend on F through the stretch tensor U and must
be independent of the rotation component R. For convenience, however, is often expressed as
2
a function of =
C U=
FT F . Noting that
1
is work conjugate to the second PiolaC=E
2
Kirchhoff stress S, establishes the following general relationships for hyperelastic materials:
1 S:C
, S (C ( X) =
=
.
(2.61)
=
:C
, X) 2 =
C
2
C E
(2.63)
As a result of the isotropic restriction, the second Piola-Kirchhoff stress tensor can be written as,
I1
I 2
I 3
2
2
=
+2
+2
S=
.
C
I1 C
I 2 C
I 3 C
(2.64)
The second order tensors formed by the derivatives of the invariants with respect to C can be
evaluated as follows:
I 3
I1
I 2
I1I C ,
I 3C1 .
=
=
=
I,
C
C
C
(2.65)
Introducing expressions (2.65) into equation (2.64) enables the second Piola-Kirchhoff stress to
be evaluated as,
(2.66)
S= 2 {( 1 + I1 2 + I 2 3 ) ) I ( 2 + I1 3 ) C} + 3C2 ,
where
16
I = / I1 , 2 = / I 2 , and 3 = / I 3 .
The Cauchy stresses can now be obtained from the second Piola-Kirchhoff stresses by using
(2.52):
(2.67)
= 2 {( 1 + I1 2 + I 2 3 ) ) b ( 2 + I1 3 ) b 2 } + 3b3 .
i2
= Ni Ni Ai ,
C
(2.68)
where the N i are the eigenvectors of C . It follows that the second Piola-Kirchhoff stress may
be represented as
3
S = Si A i ,
(2.69)
i =1
where
Si = 2
.
i2
(2.70)
(2.71)
where i, j , k form a permutation over 1, 2, 3 . Then it can be shown that the material elasticity
tensor is given by
3
2
=
4 2 2 Ai Ai
i i
i =1
2
+ 4 2 2 ( Ai A j + A j Ai )
i = 1 j = i +1 i j
3
+ 2
i = 1 j = i +1
Si S j
i2 j2
(A A
i
(2.72)
+ A j Ai ) .
When eigenvalues coincide, LHospitals rule may be used to evalue the coefficient in the last
term,
17
2
Si S j
2
lim =
2 2 2 4 2 2 2 2 .
2j i2
i
j
i
j
j j
(2.73)
The double summations in (2.72) are arranged such that the summands represent fourth-order
tensors with major and minor symmetries.
In the spatial frame, the Cauchy stress is given by
3
= i ai .
(2.74)
ai = n i n i ,
(2.75)
i =1
where
and n=
i
( F Ni ) i
i =
i
.
J i
(2.76)
2
=
i ai ai
c J 1i2
2
i
i =1
i = 1 j = i +1
i j
2
( ai a j + a j ai )
i j
(2.77)
j2 i i2 j
+ 2
( ai a j + a j ai ) .
i2 j2
i = 1 j = i +1
3
=
S 2
+ pJC1 ,
C
(2.78)
) is the deviatoric strain energy function and p is the hydrostatic pressure. The
= (C
where
presence of J may seem unnecessary, but retaining J has the advantage that equation (2.78)
remains valid in the nearly incompressible case. Further, in practical terms, a finite element
analysis rarely enforces J = 1 in a pointwise manner, and hence its retention may be important
for the evaluation of stresses.
The process of defining constitutive equations in the case of nearly incompressible
hyperelasticity is simplified by adding a volumetric energy component U ( J ) to the distortional
(C) :
component
(C) + U ( J ) .
(C) =
(2.79)
18
The second Piola-Kirchhoff tensor for a material defined by (2.79) is obtained in the standard
manner with the help of equation (2.64).
S=2
C
dU J
= 2
+2
(2.80)
C
dJ C
= 2
+ pJC1 ,
C
where the pressure p is defined as
p=
dU
.
dJ
(2.81)
An example for U that will be used later in the definition of the constitutive models is
U (J ) =
1
2
( ln J ) .
2
(2.82)
The parameter will be used later as a penalty factor that will enforce the (nearly-)
incompressible constraint. However, can represent a true material coefficient, namely the
bulk modulus, for a compressible material that happens to have a hyperelastic strain energy
function in the form of (2.79). In the case where the dilatational energy is given by (2.82), the
pressure is
p =
ln J
.
J
(2.83)
Equation (2.80) can be further developed by applying the chain rule to the first term:
=
S pJC1 + J 2/3 Dev S ,
(2.84)
S = 2 ,
C
(2.85)
1
( ) : C ) C1 .
(
3
(2.86)
=
pI + dev .
where
2
= F F T .
J C
(2.87)
(2.88)
19
by a unit vector field a ( ( X ) ) . In general, the fibers will also undergo length change. The fiber
stretch, , can be determined in terms of the deformation gradient and the fiber direction in the
undeformed configuration,
a= F A .
(2.89)
Also, since a is a unit vector,
(2.90)
2 = A C A .
The strain energy function for a transversely isotropic material, ( C, A, X ) is an isotropic
function of C and A A . It can be shown [3] that the following set of invariants are sufficient
to describe the material fully:
(2.91)
1
2
I1 =
tr C, I 2 =
( tr C ) tr C2 ,
I3 =
det C =
J 2,
I 4 = A C A, I 5 = A C 2 A .
The strain energy function can be written in terms of these invariants such that
( C, A, X ) =
( I1 ( C ) , I 2 ( C ) , I 3 ( C ) , I 4 ( C, A ) , I 5 ( C, A ) ) .
(2.92)
(2.93)
I i
S 2= 2
=
.
(2.94)
C
i =1 I i C
In the transversely isotropic constitutive models described in Chapter 5 it is further assumed that
the strain energy function can be split into the following terms:
( C, A ) = 1 ( I1 , I 2 , I 3 ) + 2 ( I 4 ) + 3 ( I1 , I 2 , I 3 I 4 ) .
(2.95)
contribution from interactions between the fibers and matrix. The form (2.95) generalizes many
constitutive equations that have been successfully used in the past to describe biological soft
tissues e.g. [6-8]. While this relation represents a large simplification when compared to the
general case, it also embodies almost all of the material behavior that one would expect from
transversely isotropic, large deformation matrix-fiber composites.
20
according to
x = ( X ,t ) .
(2.96)
For the purpose of finite element analyses, the motion of the solid matrix, = s , is of particular
interest.
The governing equations that enter into the statement of virtual work are the conservation
of linear momentum and the conservation of mass, for the mixture as a whole. Under quasistatic conditions, the conservation of momentum reduces to
(2.97)
div + b =
0,
where is the Cauchy stress for the mixture, is the mixture density and b is the external
mixture body force per mass. Since the mixture is porous, this stress may also be written as
=
pI + e ,
(2.98)
where p is the fluid pressure and is the effective or extra stress, resulting from the
deformation of the solid matrix. Conservation of mass for the mixture requires that
(2.99)
div ( v s + w ) =
0,
e
t is the solid matrix velocity and w is the flux of the fluid relative to the solid
where v =
matrix. Let the solid matrix displacement be denoted by u , then v s = u .
To relate the relative fluid flux w to the fluid pressure and solid deformation, it is
necessary to employ the equation of conservation of linear momentum for the fluid,
s
w grad p + wb w + p dw =
0,
where
(2.100)
fluid density, b w
momentum exchange between the solid and fluid constituents, typically representing the
frictional interaction between these constituents. This equation neglects the viscous stress of the
w 1
21
second order, symmetric tensor k is the hydraulic permeability of the mixture. When combined
with Eq.(2.100), it produces
(2.101)
w =k ( grad p Twb w ) ,
which is equivalent to Darcys law. In general, k may be a function of the deformation.
22
pI + , where I is the identity tensor and e is the stress arising from the
stress tensor =
strain in the porous solid matrix. Because it is porous, the solid matrix is compressible since the
volume of pores changes as interstitial fluid enters or leaves the matrix. Under the conditions
outlined above, the balance of linear momentum for the mixture reduces to
e
div =
grad p + div e =
0.
(2.102)
Similarly, the equations of balance of linear momentum for the solvent and solute are given by
(2.103)
0,
w grad w + f ws ( v s v w ) + f wu ( v u v w ) =
u grad u + f us ( v s v u ) + f uw ( v w v u ) =
0,
where is the apparent density (mass of per volume of the mixture), is the mechanochemical potential and v is the velocity of constituent . f is the diffusive drag tensor
between constituents and representing momentum exchange via frictional interactions,
which satisfies f = f . An important feature of these relations is the incorporation of
23
momentum exchange term between the solute and solid matrix, f us ( v s v u ) , which is often
neglected in other treatments but plays an important role for describing solid-solute interactions
[13, 15, 16]. These momentum equations show that the driving force for the transport of solvent
or solute is the gradient in its mechano-chemical potential, which is resisted by frictional
interactions with other constituents.
The mechano-chemical potential is the sum of the mechanical and chemical potentials. The
chemical potential of represents the rate at which the mixture free energy changes with
increasing mass of . The mechanical potential represents the rate at which the mixture free
energy density changes with increasing volumetric strain of . In a mixture of intrinsically
incompressible constituents, where the volumetric strain is idealized to be zero, this potential is
given by
( p p0 ) / T , where T
(mass of
per volume of
),
From classical physical chemistry, the general form of a constitutive relation for the chemical
potential is
=
0 ( ) + ( R / M ) ln a [17], where R is the universal gas constant, is the
absolute temperature, M is the molecular weight (invariant) and a is the activity of
, where
c0 is the solute concentration in some standard reference state (an invariant, typically
When accounting for the fact that the solute volume fraction is negligible compared to the
solvent volume fraction [17, 20], the general expressions for and
1
w
=
0w ( ) + w ( p p0 R c ) ,
w
T
R
c
( ) +
ln
,
=
M c0
u
u
0
(2.104)
24
where is the osmotic coefficient (a non-dimensional function of the state), which deviates
from unity under non-ideal physico-chemical behavior. Therefore, a complete description of the
physico-chemical state of solvent and solute requires constitutive relations for and the
effective solubility = / , which should generally depend on the solid matrix strain and the
solute concentration.
It is also necessary to satisfy the balance of mass for each of the constituents. In the absence of
chemical reactions, the statement of balance of mass for constituent reduces to
+ div ( v ) =
0.
(2.105)
t
The apparent density may be related to the true density via = T , where is the volume
fraction of
in the mixture. Due to mixture saturation (no voids), the volume fractions add up
s , w ), it follows
+w =
1 . Since T of an incompressible constituent is invariant in space and
time, these relations may be combined to produce the mixture balance of mass relation,
div ( v s + w ) =
0,
(2.106)
where
=
w w ( v w v s ) is the volumetric flux of solvent relative to the solid. The balance of
mass for the solute may also be written as
( w c )
0,
+ div ( j + wc v s ) =
(2.107)
t
where
=
j wc ( v u v s ) is the molar flux of solute relative to the solid. This mass balance
relation is obtained by recognizing that the solute apparent density (mass per mixture volume) is
related to its concentration (moles per solution volume) via u =
(1 s ) Mc w Mc . Finally, it
can be shown via standard arguments that the mass balance for the solid matrix reduces to
rs
= ,
J
s
(2.108)
where r is the solid volume fraction in the reference state, J = det F and F= I + Grad u is the
deformation gradient of the solid matrix.
s
Inverting the momentum balance equations in (2.103), it is now possible to relate the solvent and
solute fluxes to the driving forces according to
d
w =k Tw grad w + Mc grad u ,
d0
(2.109)
M w
c
u
j = d c grad + w .
d0
R
where d is the solute diffusivity tensor in the mixture (solid+solution), d 0 is its (isotropic)
is the hydraulic permeability tensor of the solution
diffusivity in free solution; k
25
(solvent+solute) through the porous solid matrix, which depends explicitly on concentration
according to
1
1 R c
d
k =
(2.110)
k + w I ,
d
d
0
0
where k represents the hydraulic permeability tensor of the solvent through the solid matrix.
The permeability and diffusivity tensors are related to the diffusive drag tensors appearing in
(2.103) according to
k = ( w ) ( f ws ) ,
2
d 0 R wc ( f uw ) d 0 I ,
=
1
(2.111)
d R wc ( f us + f uw ) ,
=
1
though these explicit relationships are not needed here since k , d and d 0 may be directly
specified in a particular analysis. Since the axiom of entropy inequality requires that the tensors
f be positive semi-definite (see appendix of [21]), it follows that d 0 must be greater than or
equal to the largest eigenvalue of d . Constitutive relations are needed for these transport
properties, which relate them to the solid matrix strain and solute concentration. Note that the
relations in (2.111) represent generalizations of Darcys law for fluid permeation through porous
media, and Ficks law for solute diffusion in porous media or free solution.
and
must be continuous [20, 23], implying that these mechano-chemical potentials may be
prescribed as boundary conditions. However, because of the arbitrariness of the reference states
0w , 0u , p0 and c0 , and the ill-conditioning of the logarithm function in the limit of small solute
26
concentration, the mechano-chemical potentials do not represent practical choices for primary
variables in a finite element implementation. An examination of (2.104) also shows that
continuity of these potentials across an interface does not imply continuity of the fluid pressure
p or solute concentration c . Therefore, pressure and concentration are also unsuitable as nodal
variables in a finite element analysis and they must be replaced by alternative choices. Based on
the similar reasoning presented by Sun et al. [24], an examination of the expressions in (2.104)
shows that continuity may be enforced by using
p =p R c,
(2.112)
c
c = ,
where p
is the effective fluid pressure and c is the effective solute concentration in the mixture.
Note that p
represents that part of the fluid pressure which does not result from osmotic effects
(since the term R c may be viewed as the osmotic pressure contribution to p ), and c is a
straightforward measure of the solute activity, since a = c / c0 . Therefore these alternative
variables have clear physical meanings.
u
( w c )
t
(2.113)
0,
+ div ( j + w c v s ) =
where
w =k grad p + R d grad c ,
d0
c
j= d w grad c + w ,
d0
(2.114)
1 R c
d
k =
k + w
I .
d0 d0
27
deformable biological tissues whose solid matrix may be charged and whose interstitial fluid
may contain any number of charged or neutral solutes. When mixture constituents are
electrically charged, the response of the tissue to various loading conditions may encompass a
range of mechano-electrochemical phenomena, including permeation, diffusion, osmosis,
streaming potentials and streaming currents. To better understand multiphasic materials, the
reader is encouraged to review the descriptions of biphasic (Section 2.5) and biphasic-solute
materials (Section 2.6).
pI e .
(2.115)
1
Tw
p p R c ,
0
(2.116)
where 0w is the solvent chemical potential in the solvent standard state, is the absolute
temperature, Tw is the true density of the solvent (which is invariant since the solvent is assumed
intrinsically incompressible), p is the fluid pressure, p0 is the corresponding pressure in the
standard state, R is the universal gas constant, is the non-dimensional osmotic coefficient,
and c is the solution volume-based concentration of solute . The summation is taken over all
solutes in the mixture. The mechano-electrochemical potential of each solute is similarly given
by
R z Fc
c
0
0 ln ,
(2.117)
M R
c0
where M is the molar mass of the solute, is its activity coefficient, is its solubility, z is
its charge number, and c0 is its concentration in the solute standard state; Fc is Faradays
constant, is the electrical potential of the mixture, and 0 is the corresponding potential in
the standard state.
In these relations, and are functions of state that describe the deviation of the
mixture from ideal physico-chemical behavior; represents the fraction of the pore volume
which may be occupied by solute . The standard state represents an arbitrary set of reference
conditions for the physico-chemical state of each constituent. Therefore, the values of 0w ,
28
div v 0 ,
t
(2.119)
where is the apparent density and v is the velocity of that constituent. For solutes, the
apparent density is related to the concentration according to 1 s M c , where is
s
the volume fraction of the solid. When the solute volume fractions are negligible, it follows that
1 s w , where w is the solvent volume fraction. The molar flux of the solute relative to
the solid is given by j wc v vs , where v is the solute velocity. Using these relations,
the mass balance relation for the solute may be rewritten as
1 Ds
J wc div j 0 ,
J Dt
(2.120)
where D s Dt represents the material time derivative in the spatial frame, following the solid;
J det F , where F is the deformation gradient of the solid. This form of the mass balance for
the solute is convenient for a finite element formulation where the mesh is defined on the solid
matrix.
The volume flux of solvent relative to the solid is given by w w vw vs , where vw is the
solvent velocity. When solute volume fractions are negligible, the mass balance equation for the
mixture reduces to
(2.121)
div vs w 0 .
Finally, the mass balance for the solid may be reduced to the form D s J s Dt 0 , which may
be integrated to produce the algebraic relation s rs J , where rs is the solid volume
fraction in the stress-free reference state of the solid.
Differentiating the electroneutrality condition in (2.118) using the material time
derivative following the solid, and substituting the mass balance relations into the resulting
expressions, produces a constraint on the solute fluxes:
(2.122)
div z j 0 .
s ,w
29
s ,w
(2.124)
which represents the effective solute concentration. In the last expression, is the partition
coefficient of the solute, which is related to the effective solubility and electric potential
according to
z F
c
exp
(2.125)
.
R
Physically, since R s , w c is the osmotic (chemical) contribution to the fluid pressure, p
may be interpreted as that part of the total (mechano-chemical) fluid pressure which does not
result from osmotic effects; thus, it is the mechanical contribution to p . Similarly, the effective
solute concentration c represents the true contribution of the molar solute content to its
electrochemical potential.
When using these variables instead of mechano-electrochemical potentials, the
momentum equations for the solvent and solutes may be inverted to produce the following flux
relations:
w k gradp R d gradc ,
(2.126)
s ,w d 0
and
c
w
j d gradc w ,
d0
(2.127)
where
d
c
k k1 R
I d
w s ,w d0
(2.128)
is the effective hydraulic permeability of the solution (solvent+solutes) in the mixture. The
momentum equation for the mixture is
div 0 .
(2.129)
30
where F is the deformation gradient of constituent and n is the number of solid constituents
in the mixture. Though the solid constituents are constrained to move together, their deformation
gradients are not necessarily the same, depending on how the various solid constituents of a
constrained mixture were assembled [25].
With no loss of generality, it may be assumed that the strain energy density of the mixture is the
summation of the strain energy densities of all the constituents,
(1)
(n)
(1)
(n)
F ,, F , r ,, r
)=
( F( ) ,, F( ) , ( ) ,, ( ) ) ,
n
=1
(2.131)
Now, as a special case, we may assume that the simplest form of the constitutive relation for a
mixture of constrained solids is
1
n
1
n
F ( ) ,, F ( ) , r( ) ,, r( ) =
( F , r ) .
n
(2.132)
=1
This special form assumes that there are no explicit dependencies among the various solid
constituents of the mixture. Thus, depends only on the deformation gradient and mass
content of .
Furthermore, if we assume that F = F for all (implying no residual stresses in the solid
mixture), then the general form for further reduces to
( F, ) .
=1
(2.133)
31
constituent. The fact that also depends on r implies that the material properties appearing
in the constitutive relation for are dependent on the mass content of solid in the mixture.
For nearly-incompressible solids, using a reasoning similar to that which led to (2.133), the
uncoupled strain energy density for the solid mixture may be of the form
( F , ) ,
=
U (J )+
r
n
=1
(2.135)
is the distortional energy
32
=
pI + e ,
(2.136)
where p is he fluid pressure and is the stress in the solid matrix resulting from solid strain.
When steady-state conditions are achieved, the fluid pressure p results exclusively from
osmotic effects and ambient conditions (i.e., it does not depend on the loading history). Thus, in
analogy to (2.112), p = p + Rc where p
is the mechanical pressure resulting from ambient
conditions and Rc is the osmotic pressure resulting from the osmolarity c of the solution.
e
The osmotic pressure p may produce swelling of the solid matrix, which is opposed by the
solid matrix stress. This becomes more apparent when considering, for example, the case of a
traction-free body. The traction is given by t= n , where n is the unit outward normal to the
boundary. When t = 0 , the relation of (2.136) produces p =n
osmotic pressure p is balanced by the swelling solid matrix.
The interstitial osmolarity (number of moles of solute per volume of interstitial fluid) may be
related to the solute and solid content according to
c=
cr
,
J rs
(2.137)
cr is the number of moles of solute per volume of the mixture in the reference
s
configuration, r is the volume fraction of the solid in the reference configuration, and
s
J = det F is the relative volume of the porous solid matrix. Neither cr nor r depend on the
where
solid matrix deformation, thus (2.137) provides the explicit dependence of c on J . This
relation shows that the osmolarity of the interstitial fluid is dependent on the relative change in
volume of the solid matrix with deformation. Effectively, under equilibrium swelling conditions,
the term pI in (2.136) represents an elastic stress and may be treated in this manner when
analyzing equilibrium swelling conditions.
Since p also depends on the osmotic coefficient, if we assume that depends on the solid
strain at most via a dependence on J , we may thus state generically that p = p ( J ) under
equilibrium swelling. It follows that the elasticity tensor for
is
33
dp
c = p + J I I + 2 pI I + c e ,
dJ
(2.138)
=
p R
c* .
s
J r
(2.139)
(1 ) c
The reference configuration (the stress-free configuration of the solid) is achieved when J = 1
and p = 0 , from which it follows that cr=
s
r
*
0
(2.140)
=
1 ,
p R c*
*
s
J r c
and this expression may be substituted into (2.138) to evaluate the corresponding elasticity
tensor.
A perfect osmometer is a porous material whose interstitial fluid behaves ideally and whose solid
matrix exhibits negligible resistance to swelling ( e 0 ). In that case p = 0 and (2.140) may
be rearranged to yield
J = (1 rs )
c0*
+ rs .
*
c
(2.141)
This equation is known as the Boyle-vant Hoff relation for a perfect osmometer. It predicts that
variations in the relative volume of such as medium with changes in external osmolarity c* is an
*
affine function of c0 c , with the intercept at the origin representing the solid volume fraction
and the slope representing the fluid volume fraction, in the reference configuration.
FEBio implements the relation of (2.140) for the purpose of modeling equilibrium swelling even
when solid matrix stresses are not negligible. The name perfect osmometer is adopted for this
model because it reproduces the Boyle-vant Hoff response in the special case when e = 0 .
34
to the osmolarity of the intracellular space. The resulting mechano-chemical gradient drives
solvent into the cell as well, contributing to its volumetric growth.
Cell growth may be modeled using the perfect osmometer framework by simply increasing the
mass of the intracellular solid matrix and membrane-impermeant solute. This is achieved by
using (2.139) to model the osmotic pressure and allowing the parameters r and cr (normally
constant) to increase over time as a result of growth. Since cell growth is often accompanied by
cell division, and since daughter cells typically achieve the same solid and solute content as their
s
parent, it may be convenient to assume that r and cr increase proportionally, though this is not
an obligatory relationship. To ensure that the initial configuration is a stress-free reference
configuration, let cr= (1 rs ) c* in the initial state prior to growth.
s
=
c
( c ) + ( 2c )
F
* 2
(2.142)
where c* is the salt concentration in the bath. Alternatively, we note that the osmolarity of the
bath is c * = 2c* . Though this expression may be equated with (2.137), the resulting value of cr
is not constant in this case, since ions may transport into or out of the pore space; therefore that
relation is not useful here.
However, since the number of charges fixed to the solid matrix is invariant, we may manipulate
(2.137) to produce a relation between the fixed charge density in the current configuration, c F ,
F
1 rs F
cr .
(2.143)
J rs
Now the osmotic pressure resulting from the difference in osmolarity between the porous
medium and its surrounding bath is given by
2
1 rs F
* 2
*
=
p R
c
+
c
c
.
(2.144)
(
)
J rs r
This expression may be substituted into (2.138) to evaluate the corresponding elasticity tensor.
cF =
35
When the osmotic pressure results from an imbalance in osmolarity produced by a fixed charge
density, it is called a Donnan osmotic pressure. The analysis associated with this relation is
called Donnan equilibrium.
36
+ div ( v ) =
,
t
(2.145)
Where is the volume density of mass supply to resulting from chemical reactions with all
other mixture constitutents. Since mass must be conserved over all constituents, mass supply
terms are constrained by
= 0 .
(2.146)
D s r
+ J div m =
r ,
Dt
(2.148)
s
Where D ( ) / Dt represents the material time derivative in the spatial frame, following the solid,
J = det F , where F is the deformation gradient of the solid matrix; r is the apparent density
r J=
, r J .
=
(2.149)
Since is the mass of in the current configuration per volume of the mixture in the
reference configuration (an invariant quantity), this parameter represents a direct measure of the
mass content of in the mixture, which may thus be used as a state variable in a framework
that accounts for chemical reactions. A distinction is now made between solid and solute species
in the mixture, since they are often treated differential in an analysis.
D s r Dt = r .
(2.150)
This representation makes it easy to see that alterations in r can occur only as a result of
chemical reactions (such as synthesis, degradation, or binding). In contrast, as seen in (2.148),
alterations in r for solutes or solvent ( ) may also occur as a result of mass transport into
37
or out of the pore space of the solid matrix. Therefore, r is the natural choice of state variable
for describing the content of solid constituents in a reactive mixture.
s
When multiple solid species are present, the net solid mass content may be given by r =
s
whereas the net mass supply of solid is r =
rs = r / T ,
(2.151)
where T is the true density of solid constituent (mass of per volume of ). According
to (2.149), it follows that the solid volume fraction in the current configuration is given by
1 rs M
where M is the molar mass of (an invariant quantity) and 1 r represents the referential
volume fraction of all fluid constituents (solvent + solutes) in a saturated mixture. Based on the
kinematics of the continuum, the fixed charge density in the current configuration is
1 rs F
F
c =
cr .
(2.153)
J rs
s
2.10.2. Solutes
and
=
c
=
, c
s
(1 ) M
via
.
(1 s ) M
(2.154)
(2.155)
38
where it may be noted that m = M j . Combining these relations with (2.148)-(2.149) produces
the desired form of the mass balance for the solutes,
s
s
1 D J (1 ) c
(2.156)
+ divj =
(1 s ) c .
J
Dt
This form is suitable for implementation in a finite element analysis where the mesh is defined
on the solid matrix.
(invariant for intrinsically incompressible constituents), and taking the sum of the resulting
expression over all constituents produces
div v = / T .
(2.157)
This mass balance relation for the mixture expresses the fact that the mixture volume will change
as a result of chemical reactions where the true density of products is different from that of
reactants. Indeed, assuming that T is the same for all would nullify the right-hand-side of
(2.157) based on (2.146). We now adopt the assumption that solutes occupy a negligible volume
v v
+w,
where
=
w w ( v w v s ) is the volumetrix flux of solvent relative to the solid. Thus, the mixture
mass balance may be reduced to
div v s + w =
/ T .
(2.158)
r
=
c =
, c
s
J r M
r
.
( J rs ) M
(2.159)
39
,
R
(2.160)
c = ,
(2.161)
=
P R .
(2.162)
Thus, formulating constitutive relations for c is equivalent to providing a single relation for
( , F, c ) . When the chemical reaction is reversible,
,
R
(2.163)
the relations of (2.161)-(2.162) still apply but the form of would be different.
Using the relations of (2.154), (2.159) and (2.161), it follows in general that
= (1 s ) M , so that the constraint of (2.146) is equivalent to enforcing stoichiometry,
namely,
M = 0 .
(2.164)
(2.165)
s
s
1 D J 1 c
+ div j =
1 s .
J
Dt
40
Here, v is a virtual velocity and d is the virtual rate of deformation tensor. This equation is
known as the spatial virtual work equation since it is formulated using spatial quantities only.
We can also define the material virtual work equation by expressing the principle of virtual work
using only material quantities.
(3.2)
vdA 0 .
=
W S : E dV f0 vdV t 0 =
V
Here, f0 = Jf is the body force per unit undeformed volume and t 0 = t ( da / dA ) is the traction
vector per unit initial area.
3.1.1. Linearization
Equation (3.1) is the starting point for the nonlinear finite element method. It is highly nonlinear
and any method attempting to solve this equation, such as the Newton-Raphson method,
necessarily has to be iterative.
To linearize the finite element equations, the directional derivative of the virtual work in
equation (3.1) must be calculated. In an iterative procedure, the quantity will be approximated
by a trial solution
k .
Linearization of the virtual work equation around this trial solution gives
W (k , v ) + D W (k , v ) [u ] =
0.
(3.3)
The directional derivative of the virtual work will eventually lead to the definition of the stiffness
matrix. In order to proceed, it is convenient to split the virtual work into an internal and external
virtual work component:
=
D W ( , v ) [u ] D Wint ( , v ) [u ] D Wext ( , v ) [u ] ,
(3.4)
where
(3.5)
Wint ( , v ) = : ddv ,
v
and
(3.6)
41
The result is listed here without details of the derivation see [1] for details. The linearization of
the internal virtual work is given by
T
(3.7)
D Wint ( ,
=
v ) [u ] d : c : dv + : ( u ) v dv .
v
Notice that this equation is symmetric in v and u . This symmetry will, upon discretization, yield
a symmetric tangent matrix.
The external virtual work has contributions from both body forces and surface tractions. The
precise form of the linearized external virtual work depends on the form of these forces. For
surface tractions, normal pressure forces may be represented in FEBio. The linearized external
work for this type of traction is given by
v
x u
1
u d d
D Wextp ( , v )=
[ u ] p v +
2 A
(3.8)
x
u
v
1
p
v +
u d d .
2 A
Discretization of this equation will also lead to a symmetric component of the tangent matrix.
FEBio currently supports gravity as a body force, f = g . Since this force is independent of the
geometry, the contribution to the linearized external work is zero. Another type of body force
implemented in FEBio is the centrifugal force. For a body rotating with a constant angular speed
, about an axis passing through the point c and directed along the unit vector n , the body
force is given by
(3.9)
(3.10)
3.1.2. Discretization
The basis of the finite element method is that the domain of the problem (that is, the volume of
the object under consideration) is divided into smaller subunits, called finite elements. In the case
of isoparametric elements it is further assumed that each element has a local coordinate system,
named the natural coordinates, and the coordinates and shape of the element are discretized
42
using the same functions. The discretization process is established by interpolating the geometry
in terms of the coordinates
shape functions:
Xa of the nodes that define the geometry of a finite element, and the
n
X = N a (1 , 2 , 3 ) X a ,
(3.11)
a =1
i are
x ( t ) = N a xa ( t ) .
(3.12)
a =1
Quantities such as displacement, velocity and virtual velocity can be discretized in a similar way.
In deriving the discretized equilibrium equations, the integrations performed over the entire
volume can be written as a sum of integrations constrained to the volume of an element. For this
reason, the discretized equations are defined in terms of integrations over a particular element e.
The discretized equilibrium equations for this particular element per node is given by
W ( e) ( , N a v ) = v a Ta( e) Fa( e) ,
where
( )
T=
a
e
N dv , and
a
e
v( )
=
Fa( )
e
(3.13)
N a fdv +
e
v( )
(3.14)
N a tda .
e
v( )
The linearization of the internal virtual work can be split into a material and an initial stress
component [1]:
T
e
, v ) [u ] d : c : dv + : ( u ) v dv
D Wint( ) (=
e
e
v( )
v( )
(3.15)
(e)
(e)
= D Wc ( , v ) [u ] + D W ( , v ) [u ] .
The constitutive component can be discretized as follows:
e
D Wc( ) ( , v ) [=
u ] v a BTa DBb dv ub .
(3.16)
(e)
The term in parentheses defines the constitutive component of the tangent matrix relating node a
to node b in element e:
e)
(3.17)
K (c , ab
= BTa DBb dv .
e
v( )
Here, the linear strain-displacement matrix B relates the displacements to the small-strain tensor
in Voigt Notation:
n
= Baua .
a=1
(3.18)
43
N a / x
0
0
Ba =
N a / y
0
N a / z
0
0
N a / y 0
N a / z
0
.
N a / x 0
N a / z N a / y
N a / z
0
(3.19)
The spatial constitutive matrix D is constructed from the components of the fourth-order tensor
using the following table; D IJ = cijkl where
I/J
1
2
3
4
5
6
i/k
1
2
3
1
2
1
j/l
1
2
3
2
3
3
(3.20)
e
v( )
(3.21)
where,
=
K (p ,)ab =
k (p ,)ab , k (p ,)ab
e
N
x N a
1
p
N b b N a d d
2 A
N
x N a
1
+ p
N b b N a d d .
2 A
(3.22)
44
( grad v
total traction on the surface b , and wn= w n is the component of the fluid flux normal to b ,
with n representing the unit outward normal to b . da represents an elemental area of b . In
this type of problem, essential boundary conditions are prescribed for u and p , and natural
boundary conditions are prescribed for t
and
3.2.1. Linearization
Since the system of equations in Eq.(3.24) is highly nonlinear, its solution requires an
iterative scheme such as Newtons method. This requires the linearization of W at some trial
solution ( ks , pk ) , along an increment u in
s and an increment
p in
W + D W [ u ] + D W [ p ] =
0,
p,
(3.25)
=
W Wext Wint ,
where
=
Wint
(3.26)
: d dv + ( w grad p p J J ) dv ,
s
(3.27)
(3.28)
D W=
int [ u ]
45
d
b
: c : dv + : ( gradT u grad v s ) dv
b
p
div udv
t
grad p (k : ) ( grad p Twb w ) dv
(3.29)
where c is the fourth-order spatial elasticity tensor for the mixture and
=
( grad u + gradT u ) 2 . Based on the relation of Eq.(2.98), the spatial elasticity tensor
may also be expanded as
c = c e + p ( I I + 2I I ) ,
(3.30)
where c e is the spatial elasticity tensor for the solid matrix [27]. It is related to the material
elasticity tensor e via
(3.31)
J 1 ( F F ) : e : ( FT FT ) ,
ce =
S E where E
where F is the deformation gradient of the solid matrix, =
e
Lagrangian strain tensor and S is the second Piola-Kirchhoff stress tensor, related
Cauchy stress tensor via e= J 1F S e FT .
Similarly, k is a fourth-order tensor that represents the spatial measure of the
change of permeability with strain. It is related to its material frame equivalent via
J 1 ( F F ) : : ( FT FT ) ,
k=
e
is the
to the
rate of
(3.32)
where =
K E and K is the permeability tensor in the material frame, such that
1
=
k J F K FT . Since K and E are symmetric tensors, it follows that k and exhibit two
minor symmetries (e.g., k jikl = kijkl and ijlk = ijkl ). However, unlike the elasticity tensor, it is
not necessary that these tensors exhibit major symmetry (e.g.,
The directional derivative of
Wint
along p is given by
(3.33)
Note that letting p = 0 and p = 0 in the above equations recovers the virtual work relations for
nonlinear elasticity of compressible solids. The resulting simplified equation emerging from
Eq.(3.29) is symmetric to interchanges of u and v s , producing a symmetric stiffness matrix
in the finite element formulation [1]. However, the general relations of Eqs.(3.29) and (3.33) do
not exhibit symmetry to interchanges of ( u, p ) and ( v s , p ) , implying that the finite
element stiffness matrix for a solid-fluid mixture is not symmetric under general conditions.
The directional derivatives of the external virtual work
Wext
and
v tnn da ,
s
tn , where t = tnn ,
(3.34)
46
D Wextt [ =
u]
v s tn g1
u
u da
,
g2 1
2
g1 g 2
(3.35)
0,
D Wextt [ p ] =
where
x
=
, 1, 2
=
g
(3.36)
(3.37)
For a prescribed normal effective traction tn , where t =( p + tne ) n and p is not prescribed,
e
then
=
Wexte
v s ( p + tne ) n da ,
(3.38)
and
u
u da
v s ( p + tne ) g1 2 g 2 1
,
b
g1 g 2
u ]
D Wexte [=
D W
e
ext
[ p ] = b v
(3.39)
p n da.
wn= w n ,
Wextw = p wn da ,
(3.40)
and
w
D Wext
=
[ u ]
D W
w
ext
p wn n g1
u
u da
,
g2 1
2
g1 g 2
0.
[ p ] =
b
Finally, for a prescribed external body force, recognizing that =
that the body forces b s and b w do not depend on p ,
D ( Wextb ) [ u ]
=
(3.41)
v (
s
0
D ( Wextb ) [ p ] =
s b s + wb w
and assuming
(3.41)
3.2.2. Discretization
Let
=
vs
=
N a v a , p
N p ,
=
a 1=
a 1
=
u
N u ,
=
p
(3.42)
N p ,
b
b
=
b 1=
b 1
47
()
ne nint
e
W J [ v
=
Wint
=e 1 =
k 1
a =1
rau
pa ] p ,
ra
(3.43)
(e)
ne is the number of elements in b , nint
is the number of integration points in the e th
element, Wk is the quadrature weight associated with the k th integration point, and J is the
where
Jacobian of the transformation from the spatial frame to the parametric space of the element. In
the above expression,
(3.44)
rau = N a rap= w N a N a div( v s )
u
and it is understood that J , ra and ra are evaluated at the parametric coordinates of the k th
integration point.
Similarly, the discretized form of
(e)
=
D Wint
where
ne nint
W J [ v
e =1 k =1
K uu
ub
k up
ab
ab
pa ] pu
,
pp
kab pb
b =1 k ab
a =1
(3.45)
K uu
N a c N b + ( N a N b ) I
ab =
N a N b ( s b s + wb w ) + Twb w N b ,
k up
ab = N b N a ,
=
k abpu ( N a k N b ) ( p Twb w )
1
N a N b
t
+ Tw ( b w N b + N bT b w ) k N a ,
(3.46)
kabpp = N a k N b ,
and t is a discrete increment in time. In a numerical implementation, it has been found that
=
Wext
and
W J [ v
=e 1 =
k 1
a =1
rau
pa ] p ,
ra
(3.47)
48
()
ne nint
e
=
D Wext
W J [ v
k
e =1 k =1
a =1
K uu
ub
k up
ab
ab
pa ] pu
,
pp
kab pb
b =1 k ab
m
(3.48)
where
g1 g 2 .
J=
In this case,
traction
(3.49)
tn as given in (3.34)-(3.35),
rau tn=
=
N a n, rau 0,
uu
K=
tn N a
ab
N
N
1
up
b1 g 2 b2 g1 , k=
0,
ab
(3.50)
pu
k ab
0=
=
, kabpp 0,
N
N
1
b1 g 2 b2 g1 , k up
ab = N a N b n,
e
K uu
ab =( p + t n ) N a
(3.51)
pu
k ab
0=
, kabpp 0.
=
wn as given in (3.40)-(3.41),
, rau wn N a ,
=
rau 0=
, k up
=
K uu
0=
0,
ab
ab
k abpu = wn N a
(3.52)
N
N
1
n b1 g 2 b2 g1 , kabpp = 0.
J
(3.53)
W = v div dv + p div ( v + w ) dv + c
+ div ( j + w c v s ) dv ,
b
b
b
t
where v is the virtual velocity of the solid, p is the virtual effective fluid pressure, and c is
the virtual molar energy of the solute. b represents the mixture domain in the spatial frame and
dv is an elemental mixture volume in b . In the last integral of W , note that
( w c )
1 Ds
w
s
+ div ( c v ) =
J w c ) ,
(3.54)
(
t
J Dt
49
where
( D J / Dt ) .
s
f in the
Using the
divergence theorem, the virtual work integral may be separated into internal and external
W
contributions, =
=
Wint
=
W
ext
with
p D s J
c D s
s
dv
p
dv
c
J w c ) dv,
:
grad
grad
d
w
j
(
b
b
b
J Dt
J Dt
( v t + p w
Wext
=
ds
(3.55)
+ c jn ) da,
( grad v + grad
To solve this nonlinear system using an iterative Newton scheme, the virtual work must be
linearized at trial solutions, along increments in u , p
and c ,
W + D W [ u ] + D W [ p ] + D W [ c ] 0 ,
(3.56)
where, for any function f ( q ) , Df [ q ] represents the directional derivative of f along q [1].
To operate the directional derivative on the integrand of
integrals from the spatial to the material domain [1]:
J Grad c c ( J w c ) dV , (3.57)
B
B
B
t
where B represents the mixture domain in the material frame, dV is an elemental mixture
volume in B , and
S J F 1 F T ,
=
E =FT d s F,
=
Wint
S : E dV + W Grad p p t dV +
W J F 1 w,
=
(3.58)
J J F 1 j.
=
The second Piola-Kirchhoff stress tensor S , and material flux vectors W and J , are respectively
related to , w and j by the Piola transformations for tensors and vectors [1, 29]. Substituting
(3.58) into (2.114) produces
Grad p + R J 1C D Grad c ,
W =K
d0
(3.59)
w
c 1
J= D Grad c + J C W ,
d0
and D are the material representations of the permeability and diffusivity tensors,
where K
and d via the Piola transformation,
related to k
50
J F 1 k F T ,
K
=
(3.60)
=
D J F 1 d F T .
The linearization of
Wint
is provided below. In consideration of the dearth of experimental data relating and to the
complete state of solid matrix strain (such as C ), this implementation assumes that the
dependence of these functions on the strain is restricted to a dependence on the relative volume
J = ( det C ) . Furthermore, it is assumed that the free solution diffusivity
the strain.
1/2
d 0 is independent of
The linearization of Wext is described in Section 3.3.2. Following the linearization procedure,
the resulting expressions may be discretized by nodally interpolating u , p
and c over finite
elements, producing a set of equations in matrix form, as described in Section 3.3.2.
The formulation presented in this study is implemented in FEBio by introducing an additional
module dedicated to solute transport in deformable porous media. Classes are implemented to
describe material functions for e , k , d (and d 0 ), and , which allow the formulation of
any desired constitutive relation for these functions of C and c , along with corresponding
derivatives of these functions with respect to C and c . The implementation accepts essential
boundary conditions on u , p
and c , or natural boundary conditions on t , wn and jn ; initial
conditions may also be specified for p
and c . Analysis results for pressure and concentration
may be displayed either as p
and c , or as p and c by inverting the relations of (2.112).
( FdV )[=q]
B
DF [ q ] dV
=
fdv .
(3.61)
For notational simplicity, the integral sign is omitted and the linearization of each term is
f dv .
presented in the form DF [ q ] dV =
Linearization along u
The linearization of the first term in Wint along u yields
3.3.1.1.
u ] dV
( S : E ) [ =
where
d s : c : + : ( gradT u grad v ) dv ,
c = c e ( p + R c ) ( I I 2I I ) R c J
( )
II ,
J
(3.62)
(3.63)
51
S e
c =
J (F F) : 2
: ( FT FT ) .
C
1
(3.64)
(3.65)
where
wu J 1F DW [ u ] =
k : grad p + R d grad c
d0
R 2 ( J )
R
d grad c
k J
u
I
k (d : ) grad c ,
div
2
(
)
J
d0
d0
(3.66)
with
1
K
k=
J (F F) : 2
: ( FT FT ) ,
C
(3.67)
D
1
T
T
d =
J (F F) : 2
: (F F ) ,
C
representing the spatial tangents, with respect to the strain, of the effective permeability and
solute diffusivity, respectively. These fourth-order tensors exhibit minor symmetries but not
major symmetry, as described recently [21]. Since K is given by substituting (2.114) 3 into
k
= 2 k I 2k I k k : g ,
where
g 2 ( k 1 I 2k 1 I ) ( k 1 k 1 ) : k
=
+
d
R c
J
w I I
d 0 J d 0
1
R c
I I 2I I d
w
d0
d0
and
k=
J 1 ( F F ) : 2
(3.68)
Wint
K
: ( FT FT ) .
C
(3.69)
(3.70)
linearizes to
1
J
D p [ u ] dV =
p div u dv ,
t
t
(3.71)
52
J
1
( J J t ) ,
t t
(3.72)
and t represents the time increment relative to the previous time point. The next term is given
by
D ( J Grad c ) [ u ] dV = grad c ju dv ,
(3.73)
where
c
DJ [ u ] J
ju J 1F =
( div u ) d + d : w grad c + w
d0
J
(3.74)
s
c
c
+d ( div u ) grad c + ( 2 ( div u ) I ) w + d wu .
d0
d0
Using a backward difference scheme for the time derivative, the last term is
w
( J w c )
c ( J )
[ u ] dV
(3.75)
D c
c div u dv .
=
t
t
J
3.3.1.2.
Linearization along
grad
D W Grad p p
p
dV
p
grad p dv ,
k
[
]
( J w c )
c
[ p ] dV = grad c d k grad p dv .
D J Grad c c
t
d0
(3.76)
(3.77)
(3.78)
Linearization along c
The linearization of the first term in Wint along c yields
3.3.1.3.
( c )
) [ c ] dV =
D (S : E
div v dv ,
c cc : d R
c
(3.79)
S T
c = J 1F
F
c
(3.80)
where
e
represents the spatial tangent of the stress with respect to the effective concentration. The next
term is
D ( W Grad p ) [ c ] dV= grad p wc dv ,
(3.81)
where
53
wc J 1F DW [ c ] = c k c grad p + R d grad c
d0
R k c d + dc grad c + d grad c ,
d0
d0
c d 0
and
K
k c = J F
FT
c
1
(3.82)
(3.83)
is the spatial tangent of the effective hydraulic permeability with respect to the effective
concentration.
The next term reduces to
J
D p [ c ] dV =
0.
t
D ( J Grad c ) [ c ] dV = grad c jc dv ,
(3.84)
(3.85)
jc J 1F DJ [ c ]
c
d + d c w grad c + w
=c
d0
c
c
wd grad c + d wc ,
d0
and
dc = J 1F
D T
F
c
(3.86)
(3.87)
is the spatial tangent of the diffusivity with respect to the effective concentration.
The last term is
( J w c )
w ( c )
c dv ,
c [ =
D
c ] dV c
t
t c
where we similarly used a backward difference scheme to discretize the time derivative.
(3.88)
54
in the case when t , wn or jn are prescribed, the linearization may be performed by evaluating
the integral in the parametric space of the boundary surface b , with parametric coordinates
( 1 , 2 ) . Accordingly, for a point x ( 1 , 2 ) on b , surface tangents (covariant basis vectors)
are given by
x
=
g =
, ( 1, 2 )
n=
(3.89)
g1 g 2
.
g1 g 2
(3.90)
The directional derivative of Wext may then be applied directly to its integrand, since the
parametric space is invariant [1].
If we restrict traction boundary conditions to the special case of normal tractions, then
t = tn n
tn is the prescribed normal traction component. Then it can be shown that the
linearization of Wext along u produces
where
u ]
D ( Wext ) [=
u
( t v + w p n + j c n ) g
b
+ g1
u 1 2
d d .
2
(3.92)
0 and D ( Wext ) [ c ] =
0.
The linearizations along p and c reduce to zero, D ( Wext ) [ p ] =
3.3.3. Discretization
To discretize the virtual work relations, let
(3.93)
v =
N v
, u =
N u ,
a
a
=
a 1=
b 1
p =
N a p a , p =
m
N a ca ,
c =
N p ,
b
N c ,
=
a 1=
b 1
where
=
a 1=
b 1
c =
p and c ;
is the number
55
Wint
Wint = Wk J
,
(3.94)
v a p a ca rau
=e 1 =
=
k 1
a 1
r p
ac
ra
(e)
where ne is the number of elements in b , nint is the number of integration points in the e th
element, Wk is the quadrature weight associated with the k th integration point, and J is the
Jacobian of the transformation from the current spatial configuration to the parametric space of
the element. In the above expression,
rau= grad N a ,
1 J
,
(3.95)
J t
1
rac =
J w c ) ,
j grad N a N a
(
J t
u
p
c
and it is understood that J , ra , ra and ra are evaluated at the parametric coordinates of the
k th integration point. Since the parametric space is invariant, time derivatives are evaluated in
s
a material frame. For example, the time derivative D J ( x, t ) / Dt appearing in (3.55) becomes
w grad N a N a
rap =
Wk J
,
(3.96)
up
uc
u
v a p a ca K uu
k
k
k 1
a 1=
b 1
=e 1 =
=
b
ab
ab
ab
k pu k pp k pc p
ab
ab
ab
b
cu
cp
cc
k ab kab kab cb
where the terms in the first column are the discretized form of the linearization along u :
grad N a c grad N b + ( grad N a grad N b ) I ,
=
K uu
(3.97)
ab
D Wint
=
pu
k ab
=( w bu ) grad N a + N a qbpu ,
(3.98)
k cu
( jbu ) grad N a + N aqbcu ,
ab =
(3.99)
where
(3.100)
jub =J
56
w
c
c
w
d grad c + w grad N b + grad c + w d grad N b
d0
d0
J
c
c
+ s ( d grad c ) grad N b + 2 ( grad N b w ) d ( d w ) grad N b + d w ub ,
d0
d0
q bpu =
q = c
cu
b
1
grad N b ,
t
( J w )
J
(3.101)
(3.102)
qbpu .
(3.103)
The terms in the second column of the stiffness matrix in (3.96) are the discretized form of the
linearization along p :
k up
ab = N b grad N a ,
(3.104)
(3.105)
kabcp =
c
d0
grad N a d k grad N b .
(3.106)
The terms in the third column of the stiffness matrix in (3.96) are the discretized form of the
linearization along c :
( c )
(3.107)
grad N a ,
k uc
ab = N b c grad N a R
c
=
k
grad N a w
pc
ab
c
b,
(3.108)
=
k grad N a j + N q
cc
ab
c
b
c
a b,
(3.109)
where
N bk c grad p + R d grad c
w bc =
d0
R k N b d + dc grad c + d grad N b ,
d0
d0
c d 0
c
c
=
jbc N b
d + dc w grad c + w + d w grad N b + w bc ,
c
d0
w ( c )
q = Nb
.
t c
c
b
The discretization of
Wext
d0
(3.110)
(3.111)
(3.112)
57
( )
ne nint
e
Wk J
=e 1 =
=
k 1
a 1
v a p a ca N a tnn
N w
a n
N a jn
Wext
=
(3.113)
=
D Wext
W J v
k 1
=e 1 =
a 1=
b 1
=
,
p a ca K uu
0 0 ub
ab
k pu 0 0 p
ab
b
cu
k ab 0 0 cb
(3.114)
where
N
N
tn N a b1 g 2 b2 g1 ,
=
K uu
ab
N
N
wn N a b1 g 2 b2 g1 n,
k abpu =
N
N
jn N a b1 g 2 b2 g1 n.
k cu
ab =
(3.115)
(such that
58
+ p div v s + w dv
b
1 Ds s w
J c + divj + z divj dv ,
s
Dt
s ,w
s ,w
(3.116)
where v is the virtual velocity of the solid, p is the virtual effective fluid pressure, and c
is the virtual molar energy of solute . Here, b represents the mixture domain in the spatial
frame and dv is an elemental volume in b . Applying the divergence theorem, W may be split
W
into internal and external contributions to the virtual work, =
p D s J s
Wint = : D dv + w grad p s
dv
b
b
J
Dt
c D
+ j grad c s
J s w c ) dv
(
b
J Dt
s,w
grad c
s,w
(3.117)
z j dv ,
s,w
and
Wext = v t + p wn + c jn + z jn da .
b
s,w
s,w
In these expressions,
D
=
( grad v + grad v ) / 2 ,
T
(3.118)
cF +
0.
z c =
(3.119)
s ,w
In the special case of a triphasic mixture, where solutes consist of two counter-ions ( =+, ),
this equation may be solved in closed form to produce
59
1 R
2 z c
=
, =+, ,
ln
2
2
z Fc c F c F + z + c + c
4
Only the positive root is valid in the argument of the logarithm function.
( )
Wint
u ] dV
( S : E ) [ =
where
( )(
)(
(3.120)
along u yields
d s : c : + : ( gradT u grad v ) dv ,
(3.121)
( )
II,
c = c p + R c ( I I 2I I ) R c J
(3.122)
S e
c =
J (F F) : 2
: ( FT FT ) .
C
e
(3.123)
(3.124)
where
wu J k : grad p + R d grad c
d0
(3.125)
k R J
( div u ) d + ( 2 d + d : ) grad c
d0
d0
J d 0
with
1
K
k=
J (F F) : 2
: ( FT FT ) ,
C
(3.126)
d =
J 1 ( F F ) : 2
: ( FT FT ) ,
C
representing the spatial tangents, with respect to the strain, of the effective permeability and
solute diffusivity, respectively. These fourth-order tensors exhibit minor symmetries but not
major symmetry, as described recently [21]. Since K is given by substituting (2.114) 3 into
k
= 2 k I 2k I k k : g ,
where
(3.127)
60
g 2 ( k 1 I 2k 1 I ) ( k 1 k 1 ) : k
=
c
d
J
I
d 0
J w
d0
c
1
I I 2I I d
+ R
w
d0
d0
+ R
and
k=
J 1 ( F F ) : 2
Wint
(3.128)
K
: ( FT FT ) .
C
(3.129)
linearizes to
1
J
D p [ u ] dV =
p div u dv ,
t
t
(3.130)
( J J t ) ,
t t
(3.131)
w
c
ju J F =
DJ [ u ] J
( div u ) d + d : grad c + w
d0
J
c
c
s
+ d ( div u ) grad c + ( 2 ( div u ) I ) w + wu
d0
d0
(3.133)
and t represents the time increment relative to the previous time point. The next term is given
by
(3.132)
D ( J Grad c ) [ u ] dV= grad c ju dv ,
where
where
c
w.
d 0
Using a backward difference scheme for the time derivative, the last term is
w
( J w c )
c ( J )
[ u ] dV
=
D c
c div u dv .
t
t
J
g =
grad c +
(3.134)
(3.135)
D W Grad p p
[ p ] dV = grad p k grad p dv ,
t
(3.136)
(3.137)
61
( J w c )
[ p ] dV = grad c d k grad p dv .
D J Grad c c
t
d0
Wint
(3.138)
along c yields
( c )
dv ,
div
D ( S : E ) c dV =
c : d R
v
(3.139)
where
S e T
F
(3.140)
c
represents the spatial tangent of the stress with respect to the effective concentration. The next
term is
(3.141)
D ( W Grad p ) c dV = grad p w dv ,
= J 1F
where
c k grad p + R d grad c c
w J 1F DW
=
d0
R k d grad c c R k d + d grad c
d0
d0
d0
c
and
K
d
k = J 1F FT , d = J 1F FT
c
c
(3.142)
(3.143)
are the spatial tangents of the effective hydraulic permeability and solute diffusivity with respect
to the effective concentration.
The next term reduces to
J
D p c dV =
0.
t
D ( J Grad c ) c dV = grad c j dv ,
(3.144)
(3.145)
where
j J 1F DJ c =
c d + d g
c
c
c d
+ d w grad c + 0
d0
d 0 c
c
w
+
w ,
d0
(3.146)
62
w c
( J w c )
)
(
(3.147)
c
=
c dv ,
D
c dV c
t
t c
where we similarly used a backward difference scheme to discretize the time derivative.
wn da (net volumetric flow rate), or jn da (net effective molar flow rate) are prescribed
over the elemental area da , there is no variation in Wext and it follows that D Wext = 0 .
Alternatively, in the case when t , wn or jn are prescribed, the linearization may be performed
force),
by evaluating the integral in the parametric space of the boundary surface b , with parametric
coordinates ( 1 , 2 ) . Accordingly, for a point x ( 1 , 2 ) on b , surface tangents (covariant
basis vectors) are given by
x
g =
=
, ( 1, 2 )
n=
(3.148)
g1 g 2
.
g1 g 2
(3.149)
Wext = v t + p wn +
b
where
c j g
jn = jn +
s,w
g 2 d 1d 2 .
z j
s,w
(3.150)
(3.151)
The directional derivative of Wext may then be applied directly to its integrand, since the
parametric space is invariant [1].
If we restrict traction boundary conditions to the special case of normal tractions, then
t = tn n
tn is the prescribed normal traction component. Then it can be shown that the
linearization of Wext along u produces
where
u ]
D ( Wext ) [=
u
u 1 2
g 2 + g1
d d .
tn v + wn p n + c jn n
1
2
s
w
(3.152)
linearizations
63
p
along
and
reduce
to
zero,
0 and
D ( Wext ) [ p ] =
0.
D ( Wext ) c =
3.4.5. Discretization
To discretize the virtual work relations, let
(3.153)
v =
N v
u =
N u ,
a
a
=
a 1=
b 1
p =
N a p a ,
N a ca , c
N p ,
b
N c ,
=
a 1=
b 1
where
=
a 1=
b 1
p and c ;
is the
Wint
(e)
Wint
ne nint
e 1=
k 1
=
a 1
=
Wk J v a
p a ca
ca
,
u
ra
r p
a
ra
ra
(3.154)
(e)
ne is the number of elements in b , nint
is the number of integration points in the e th
element, Wk is the quadrature weight associated with the k th integration point, and J is the
where
Jacobian of the transformation from the current spatial configuration to the parametric space of
the element. In the above expression,
rau= grad N a ,
1 J
,
(3.155)
J t
1
ra =
J w c ) ,
j grad N a N a
(
J t
u
p
and it is understood that J , ra , ra and ra are evaluated at the parametric coordinates of the
k th integration point. Since the parametric space is invariant, time derivatives are evaluated in
s
a material frame. For example, the time derivative D J ( x, t ) / Dt appearing in (3.55) becomes
w grad N a N a
rap =
64
D Wint
=
Wk J v a
p a ca
ca
, (3.156)
uu
up
u
u
K ab k ab k ab k ab ub
k pu k pp k p k p p
ab
ab
ab
abu
b
p
u
p
k ab kab kab kab cb
where the terms in the first column are the discretized form of the linearization along u :
e 1=
k 1
=
a 1=
b 1
=
=
k abu
(j
u
b
u T
b
grad N a + N a qbpu ,
+ z jb u
grad N a + N a qb u ,
(3.157)
(3.158)
(3.159)
where
d g grad N b + g d grad N b
J
d
+ c ( grad N b w w grad N b + ( grad N b w ) I + w ub )
d0
jb u = J
s d grad c grad N b ,
1
grad N b ,
q bpu =
t
J w pu
u
qb = c
qb .
J
(3.160)
(3.161)
(3.162)
The terms in the second column of the stiffness matrix in (3.96) are the discretized form of the
linearization along p :
k up
ab = N b grad N a ,
(3.163)
(3.164)
p
kab
= grad N a jb p + z jb p ,
where
jb p =
c
d k grad N b .
d 0
(3.165)
(3.166)
65
The terms in the third column of the stiffness matrix in (3.96) are the discretized form of the
linearization along c :
u
k ab N b R + + c I grad N a ,
(3.167)
c
c
=
kabp grad N a wb ,
=
kab
grad N a j
b + z jb
(3.168)
+ N a qb ,
(3.169)
where
w b = N b k g p R k
d0
c
R k d grad N b ,
d0
d + d c grad c
d0
j = N b d + d
c g
c
N b d 0
w
+ d ( N b w d 0 grad N b ) + c w b w
d0
d 0 c
qb = N b
c +
(3.170)
t c
(3.171)
(3.172)
where
g =
grad p R
p
The discretization of
Wext
(3.173)
( )
ne nint
e
Wext
d grad c .
d0
Wk J v a
=e 1 =
k 1
=
a 1
p a ca
ca
,
N a tn n
N w
a n
N a jn
N j
a n
(3.174)
D Wext
66
m
Wk J v a
=
e 1=
k 1
=
a 1=
b 1
p a ca
ca
uu
K ab
k pu
abu
k ab
u
k ab
,
0 0 0 ub
0 0 0 p b
0 0 0 cb
0 0 0 cb
(3.175)
where
N
N
K uu
=
tn N a b1 g 2 b2 g1 ,
ab
N
N
wn N a b1 g 2 b2 g1 n,
k abpu =
(3.176)
N
N
jn N a b1 g 2 b2 g1 n.
k abu =
(such that
When the mixture is charged it is necessary to solve for the electric potential using the
electroneutrality condition in (2.118). This equation may be rewritted as a polynomial in ,
n
a
i =0
where
(3.177)
F
=
exp c ,
R
(3.178)
and
ai =
.
min
z c =
i
z
z
c F
i = z min
Here, z
min
(3.179)
more than one solute may carry the same charge z , the coefficients ai should be evaluated
from the summation of z c over all such solutes. Only real positive roots are valid, since
= R ( ln ) Fc according to (3.178). Using Descartes rule of signs, an inspection of the
coefficients ai shows tht ther is only one sign change in the polynomial, regardless of the sign
of c F , implying that there will always be only one positive root , which must thus be real.
Therefore, there cannot be any ambiguity in the calculation of , irrespective of the polynomial
degree. Newtons method is used to solve for the positive real root when n > 2 .
67
Using the above relations, it follows that = . An examination of the equations resulting
from the linearization of the internal virtual work shows that it is necessary to evaluate
derivatives of with respect to J and c , which are given by
z
1
=
+ z
J
J
J
.
(3.180)
z
1
=
+ z
c
c
c
In these expressions, the derivatives of are obtained from the user-defined constitutive
relations for the solubility. Derivatives of may be evaluated by differentiating the
electroneutrality condition to produce
c F
z
+ z c
1
J
= J
2
J
z c
.
(3.181)
z
z + z c
1
c
=
2
c
z c
( )
( )
The derivative
1 rs F
cr
J rs
(3.182)
where r is the referential solid volume fraction (volume of solid in current configuration per
s
volume of the mixture in the reference configuration) and cr is the referential fixed charge
density (equivalent charge in current configuration per volume of the mixture in the reference
configuration).
(3.183)
68
d=
x k x k 1 ,
k
(3.186)
=
G k R k 1 R k .
The updated matrix
(3.187)
K k dk = G k .
(3.188)
u = K k 11R k 1 .
(3.189)
This displacement vector defines a direction for the actual displacement increment. A line
search (see next section) can now be applied to determine the optimal displacement increment:
=
x k x k 1 + su ,
(3.190)
where s is determined from the line search. With the updated position calculated,
evaluated. Also, using equations (3.186) and (3.187),
update can now be expressed as
where the matrix A is an
K k 1 = ATk K k 11A k ,
(3.191)
A k = 1 + v k wTk .
(3.192)
R k can be
69
1/2
dT G
vk =
T k k K k 1d k G k ,
d k K k 1d k
d
wk = T k .
dk G k
The vector
(3.193)
(3.194)
To avoid numerically dangerous updates, the condition number c of the updating matrix A is
calculated:
1/2
dTk G k
c= T
.
d k K k 1d k
(3.195)(3.196)
The update is not performed when this number exceeds a preset tolerance.
Considering the actual computations involved, it should be noted that using the matrix updates
defined above, the calculation of the search direction in (3.189) can be rewritten as,
(3.197)
u=
(1 + w k 1vTk 1 )(1 + w1v1T ) K 01 (1 + v1w1T )(1 + v k 1wTk 1 ) R k 1 .
Hence, the search direction can be computed without explicitly calculating the updated matrices
or performing any additional costly matrix factorizations as required in the full Newton-Raphson
method.
x k +=1 x k + su .
(3.198)
R (=
s ) uT R ( x k + s=
u) 0 .
(3.199)
=
The value of s is usually chosen so that the total potential energy W
( s ) W ( xk + su ) at the end
of the iteration is minimized in the direction of u. This is equivalent to the requirement that the
residual force R ( x k + su ) at the end of the iteration is orthogonal to u:
However, in practice it is sufficient to obtain a value of s such that,
R ( s ) < R (0) ,
(3.200)
where typically a value of = 0.9 is used. Under normal conditions the value s = 1 automatically
satisfies equation (3.200) and therefore few extra operations are involved. However, when this is
not the case, a more suitable value for s needs to be obtained. For this reason it is convenient to
approximate R ( s ) as a quadratic in s:
R ( s ) (1 s ) R ( 0 ) + R (1) s 2 =
0,
which yields a value for s as
(3.201)
70
R (0)
r
r
s = r , r = .
R (1)
2
2
2
(3.202)
If r < 0 , the square root is positive and a first improved value for s is obtained:
r
s1 =
+
2
r
r .
2
(3.203)
If r > 0 the s can be obtained by using the value that minimizes the quadratic function, that is,
s1 = r / 2 . This procedure is now repeated with R (1) replaced by R ( s1 ) until equation (3.200) is
satisfied.
71
x ( r , s, t ) = N i ( r , s, t )xi .
(4.1)
i =1
shape functions and xi are the spatial coordinates of the element nodes. The same parametric
interpolation is used for the interpolation of other scalar and vector quantities.
All elements in FEBio are integrated numerically. This implies that integrals over the volume of
the element ve are approximated by a sum:
=
f ( x ) dv
v
f ( r ) J (r )d f ( ri ) J i wi .
(4.2)
i =1
Here, is the biunit cube, m is the number of integration points, ri are the location of the
integration points in isoparametric coordinates, J is the Jacobian of the transformation
72
1
(1 r )(1 s )(1 t )
8
1
N 2 = (1 + r )(1 s )(1 t )
8
1
N 3 = (1 + r )(1 + s )(1 t )
8
1
N 4 = (1 r )(1 + s )(1 t )
8
1
N 5 = (1 r )(1 s )(1 + t )
8
1
N 6 = (1 + r )(1 s )(1 + t )
8
1
N 7 = (1 + r )(1 + s )(1 + t )
8
1
N8 = (1 r )(1 + s )(1 + t ) .
8
The following integration rule is implemented for this element type.
N1 =
s
-0.577350269
-0.577350269
0.577350269
0.577350269
-0.577350269
-0.577350269
0.577350269
0.577350269
t
-0.577350269
-0.577350269
-0.577350269
-0.577350269
0.577350269
0.577350269
0.577350269
0.577350269
(4.3)
w
1
1
1
1
1
1
1
1
73
1
(1 r s )(1 t )
2
1
r (1 t )
2
1
s (1 t )
2
1
(1 r s )(1 + t )
2
1
r (1 + t )
2
1
s (1 + t ) .
2
N1=
=
N2
=
N3
N 4=
=
N5
=
N6
(4.4)
s
0.166666667
0.166666667
0.666666667
0.166666667
0.166666667
0.666666667
t
-0.577350269
-0.577350269
-0.577350269
0.577350269
0.577350269
0.577350269
w
0.166666667
0.166666667
0.166666667
0.166666667
0.166666667
0.166666667
(4.5)
N3 = s
N4 = t .
The following integration rules are implemented for this element type.
1-point Gauss rule
r
0.25
s
0.25
t
0.25
w
0.166666667
74
s
0.13819660
0.13819660
0.58541020
0.13819660
t
0.13819660
0.13819660
0.13819660
0.58541020
w
0.041666667
0.041666667
0.041666667
0.041666667
Figure 4-1. Different solid element types that are available in FEBio.
(4.6)
75
Hi =
ti ( 2ti 1) ,
i=
1 4
H 5 = 4t1t2
H 6 = 4t2t3
H 7 = 4t3t1
(4.7)
H 8 = 4t1t4
H 9 = 4t2t4
H10 = 4t3t4 .
The following integration rules are implemented for this element type.
4-point Gauss rule
r
0.58541020
0.13819660
0.13819660
0.13819660
s
0.13819660
0.58541020
0.13819660
0.13819660
t
0.13819660
0.13819660
0.58541020
0.13819660
w
0.041666667
0.041666667
0.041666667
0.041666667
s
0.328054697
0.01583591
0.328054697
0.328054697
0.106952274
0.679143178
0.106952274
0.106952274
t
0.328054697
0.328054697
0.01583591
0.328054697
0.106952274
0.106952274
0.679143178
0.106952274
w
0.023087995
0.023087995
0.023087995
0.023087995
0.018578672
0.018578672
0.018578672
0.018578672
t
0
0
0
1
0
0
0
0.5
0.5
0.5
0.25
w
0.002777778
0.002777778
0.002777778
0.002777778
0.011111111
0.011111111
0.011111111
0.011111111
0.011111111
0.011111111
0.088888889
76
FEBio also implements a 15-node quadratic tetrahedral element (see Figure 4-2).
Figure 4-2 Quadratic tetrahedral elements available in FEBio. Left, a 10-node quadratic tet. Right, a 15-node
quadratic tet.
The following integration rules are implemented for this element type.
8-point Gauss rule 1
r
0.0158359099
0.3280546970
0.3280546970
0.3280546970
0.6791431780
0.1069522740
0.1069522740
0.1069522740
s
0.3280546970
0.0158359099
0.3280546970
0.3280546970
0.1069522740
0.6791431780
0.1069522740
0.1069522740
t
0.3280546970
0.3280546970
0.0158359099
0.3280546970
0.1069522740
0.1069522740
0.6791431780
0.1069522740
w
0.138527967
0.138527967
0.138527967
0.138527967
0.111472033
0.111472033
0.111472033
0.111472033
s
0.25
0.071428571428571
0.071428571428571
0.785714285714286
0.071428571428571
0.100596423833201
0.399403576166799
0.100596423833201
0.399403576166799
0.100596423833201
0.399403576166799
t
0.25
0.071428571428571
0.071428571428571
0.071428571428571
0.785714285714286
0.100596423833201
0.100596423833201
0.399403576166799
0.100596423833201
0.399403576166799
0.399403576166799
w
-0.01315555556
0.007622222222
0.007622222222
0.007622222222
0.007622222222
0.024888888889
0.024888888889
0.024888888889
0.024888888889
0.024888888889
0.024888888889
Note that weights sum up to one and not to the volume of the tet in the natural coordinate
system (i.e. 1/6).
77
s
0.25
0.333333333333333
0.333333333333333
0.000000000000000
0.333333333333333
0.090909090909091
0.090909090909091
0.727272727272727
0.090909090909091
0.066550153573664
0.433449846426336
0.066550153573664
0.433449846426336
0.066550153573664
0.433449846426336
t
0.25
0.333333333333333
0.333333333333333
0.333333333333333
0.000000000000000
0.090909090909091
0.090909090909091
0.090909090909091
0.727272727272727
0.066550153573664
0.066550153573664
0.433449846426336
0.433449846426336
0.433449846426336
0.066550153573664
w
0.030283678097089
0.006026785714286
0.006026785714286
0.006026785714286
0.006026785714286
0.011645249086029
0.011645249086029
0.011645249086029
0.011645249086029
0.010949141561386
0.010949141561386
0.010949141561386
0.010949141561386
0.010949141561386
0.010949141561386
78
X ( ) = N a ( ) X a ,
a =1
n
(4.8)
D (i ) = N a ( ) za (3 ) Da ,
a =1
ha0 1
ha0
1
za (3 ) = (1 + 3 ) (1 3 ) .
2
2 2
2
It is assumed that Latin indices range from 1 to 3 and that Greek indices range from 1 to 2. The
vector D is called the director and it is assumed that Da = 1 . (Note that this does not
necessarily imply that D = 1 throughout the entire shell.) The function
za is the thickness
0
function and evaluates the initial thickness of the shell, which at node a is given by ha .
Similarly, the displacement is given by
u=
(i ) u ( ) + t (i ) ,
n
u ( ) = N a ( ) u a ,
(4.9)
a =1
t (i ) = N a ( ) za (3 ) t a .
a =1
x=
(i ) x ( ) + d (i ) ,
x=
( ) X ( ) + U ( ) ,
d=
(i ) D (i ) + t (i ) ,
(4.10)
x=
Xa + ua ,
a
d=
Da + t a .
a
To take thickness variations into account, it is not required that
d a is of unit length.
It is assumed that the virtual displacements have a similar interpolation than the actual
displacements:
79
n
N a ( ) ua + N a ( ) za (3 ) t a .
=
u (i )
(4.11)
=
a 1=
a 1
u =
N a u a + M a t a .
(4.12)
=
a 1=
a 1
where we have defined M a (i ) = N a ( ) za (3 ) . And similarly for the gradient of the virtual
displacement,
n
u = N u + M a t a .
(4.13)
a
a
=
a 1=
a 1
: udv
(4.14)
u N dv + t M
a
a =1
dv .
where j = det
(4.15)
x
is the Jacobian of the transformation. In FEBio a 3-point Gaussian quadrature
(4.16)
80
N1 = 1 r s
N2 = r
N3 = s .
(4.17)
81
c = I I + 2 I I , or equivalently,
cijkl = ij kl + ( ik jl + il jk ) .
(5.2)
The material coefficients and are known as the Lam parameters. Using this equation, the
stress-strain relationship can be written as
=
ij kk ij + 2 ij .
(5.3)
If the stress and strain are represented inVoigt notation, the constitutive equation can be rewritten
in matrix form as
=
11 + 2
22
33
0
12
23 0
13 0
The shear strain measures
+ 2
0
0
0
+ 2
0
0
0
0
0
0
0
0
0
0
0
0
.
0 11
0 22
0 33
0 12
0 23
13
(5.4)
The following table relates the Lam parameters to the more familiar Youngs modulus E and
Poissons ratio or to the bulk modulus K and shear modulus G.
82
E ,
E ,
K,G
K,G
9 KG
( 2 + 3 ) E =
3K + G
+
3
K 2G
=
=
6 K + 2G
2 ( + )
2
= K G
3
=G
=
E
(1 + )(1 2 )
E
2 (1 + )
K=
E
3 (1 2v )
G=
E
2 (1 + v )
2
K= +
3
G=
The theoretical range of the Youngs modulus and Poissons ratio for an isotropic material have
the ranges
0< E < ,
(5.5)
1 < 0.5 .
(5.6)
Materials with Poissons ratio (close to) 0.5 are known as (nearly-) incompressible materials. For
these materials, the bulk modulus approaches infinity. Most materials have a positive Poissons
ratio. However there do exist some materials with a negative ratio. These materials are known as
auxetic materials and they have the remarkable property that they expand under tension.
The linear stress-strain relationship can also be derived from a strain-energy function such as in
the case of hyperelastic materials. In this case the linear strain-energy is given by
1
(5.7)
:c : .
2
W
The stress is then similarly derived from =
. In the case of isotropic elasticity, (5.7) can be
W=
simplified:
=
W
1
2
( tr ) + : .
2
(5.8)
=
( tr ) I + 2 .
(5.9)
83
=
W
(5.10)
W
= ( tr E ) I + 2 E .
E
(5.11)
Note that these equations are similar to the corresponding equations in the linear elastic case,
except that the small strain tensor is replaced by the Green-Lagrange elasticity tensor E. The
material elasticity tensor is then given by,
=
S
= I I + 2 I I .
E
(5.12)
It is important to note that although this model is objective, it should only be used for small
strains. For large strains, the response can be somewhat strange if not completely unrealistic. For
example, it can be shown that under uni-axial tension the stress becomes infinite and the volume
tends to zero for finite strains. Therefore, for large strains it is highly recommended to avoid this
material and instead use one of the other non-linear material models described below. The
Cauchy stress is
1
(5.12)
=
( tr E ) b + b 2 ,
=
E
where tr
( tr b 3)
b b +
2
b b .
J
(5.12)
1 3
ab ( A 0a : E )( Ab0 : E ) ,
2b1
=
a 1=
=
W
a A0a : E2 +
(5.13)
ab ). The material
orthogonal planes of symmetry whose unit outward normal is a a ( a a ab =
0
ba = ab .
Gab and Poissons ratios ab via
Ea , shear moduli
ab ,
where
They may be
84
1
12
11 + 2 1
22 + 22
12
23
13
0
0
0
0
0
0
13
23
33 + 23
0
0
0
0
0
0
( 1 + 2 )
0
0
0
0
0
2
0
( 2 + 3 ) 2
0
0
0
0
0
0
( 3 + 1 )
.
12 E1 13 E1
0
0
0
1 E1
E
23 E2
1 E2
0
0
0
21 2
1 E3
0
0
0
31 E3 32 E3
0
0
0
1 G12
0
0
0
0
0
1 G23
0
0
0
0
0
0
1 G31
0
The second Piola-Kirchhoff stress can be derived from this strain energy density function:
S=
W
=
E
(A
3
a =1
0
a
(5.14)
E + E A 0a )
1 3
+ ab ( A 0a : E ) A b0 + ( A b0 : E ) A 0a .
2 b =1
(5.15)
Note that these equations are similar to the corresponding equations in the linear orthotropic
elastic case, except that the small strain tensor is replaced by the Green-Lagrange elasticity
tensor E . The material elasticity tensor is then given by,
S 3
1 3
= a ( A 0a I + I A 0a ) + ab ( A 0a A b0 + A b0 A 0a ) .
E a 1 =
2b1
=
=
(5.16)
It is important to note that although this model is objective, it should only be used for small
strains. For large strains, the response can be somewhat strange if not completely unrealistic. For
example, it can be shown that under uni-axial tension the stress becomes infinite and the volume
tends to zero for finite strains. Therefore, for large strains it is highly recommended to avoid this
material and instead use one of the other non-linear material models described below. The
Cauchy stress is
3
a
=
2J ( A (b I ) + (b I ) A )
a =1
1 3
+ ab ( A a : I 1) A b + ( A b : I 1) A a ,
2 b =1 2 J
where A a =F A a F
0
a
1 3 ab
A
b
+
b
A
+
(
)
( A a Ab + Ab A a ) .
a
a
J
2b1 J
=
a 1=
=
c
(5.17)
(5.18)
85
2
(5.19)
W=
( I1 3) ln J + ( ln J ) .
2
The parameters and are the Lam parameters from linear elasticity. This model reduces to
the isotropic linear elastic model for small strains and rotations.
The Cauchy stress is given by,
=
( b I ) + ( ln J ) I ,
(5.20)
II +
2
( ln J ) I I .
J
(5.21)
The neo-Hookean material is an extension of Hookes law for the case of large deformations. It
is useable for certain plastics and rubber-like substances. A generalization of this model is the
Mooney-Rivlin material, which is often used to describe the elastic response of biological tissue.
In FEBio this constitutive model uses a standard displacement-based element formulation and a
"coupled" strain energy, so care must be taken when modeling materials with nearlyincompressible material behavior to avoid element locking.
Here,
The Cauchy stress tensor for this material may be obtained using the general formula for
isotropic elasticity in principal directions given in (2.74), with
N
1 ci
i = c p ( J 1) +
imk 1 .
(5.23)
k =1 J mk
Similarly, the spatial elasticity tensor is given by
86
1 ck
( mk 2 ) imk + 2 ai ai
c
+
p
=i 1 =
k 1 J mk
c=
c ( 2 J 1) ( a a
3
i = 1 j = i +1
3
i = 1 j = i +1
where
+ a j ai )
(5.24)
j2 i i2 j
( ai a j + a j ai ) ,
i2 j2
a=i ni ni and ni are the eigenvectors of b . In the limit when eigenvalues coincide,
N
i j2 j i2
1 ck
(5.25)
2 + ( mk 2 ) im .
2
1
=
+
c
J
(
)
p
2
2
i j
J
m
k =1
k
In the reference configuration, the elasticity tensor reduces to
N
c b =I= c p I I + ck I I ,
(5.26)
k =1
which has the form of Hookes law for infinitesimal isotropic elasticity (see Section 5.1), with
N
equivalent Lam coefficients c p and 2 k =1 ck .
lim 2
j
5.2.5. Holmes-Mow
The coupled hyperelastic strain-energy function for this material is given by [34],
1
( I1 , I 2 , J ) = c ( eQ 1) ,
2
(5.27)
where I1 and I 2 are the first and second invariants of the right Cauchy-Green tensor and J the
jacobian of the deformation. Furthermore,
( 2 )( I1 3) + ( I 2 3) ( + 2 ) ln J 2 ,
+ 2
+ 2
c=
.
2
and and are the Lam parameters. The corresponding Cauchy stress tensor is
=
Q
1 Q
e 2 + ( I1 1) b b 2 ( + 2 ) I ,
2J
(5.28)
(5.29)
=
c
4
JeQ + J 1eQ ( b b b b ) + ( + 2 ) I I .
+ 2
(5.30)
87
3
3
1
1
W=
a A 0a : E2 + aa A 0a : E ( A 0a : E ) + ab ( A 0a : E )( A b0 : E ) ,
2
=
=
a 1
b 1, b a 2
(5.31)
ab ). The bimodular
orthogonal planes of symmetry whose unit outward normal is a a ( a a ab =
response is described by
aa A 0a : E =
(5.32)
0
A
E
:
0
+
aa
a
aa A 0a : E < 0
0
a ,
+ aa ,
three
compressive moduli aa , and three moduli ab ( b a ), where ba = ab . The second PiolaKirchhoff stress can be derived from this strain energy density function:
3
W
= a A 0a E + E A 0a
S=
E a =1
(5.33)
3
0
0
0
0
0
+aa A a : E A a : E A a + ab A a : E A b .
+aa A : E A A +
0
a
0
a
=
b 1, b a
0
a
=
b 1, b a
)
.
ab A A
0
a
(5.34)
0
b
It is important to note that although this model is objective, it should only be used for small
strains. For large strains, the response may be unrealistic. The Cauchy stress is
3
=
J 1 a ( A a ( b I ) + ( b I ) A a )
a =1 2
(5.35)
3
+aa [ K a ] K a A a + ab K a A b ,
=
b 1, b a
0
T
1
where A a =F A a F and
=
Ka
( A a : I 1) . The spatial elasticity tensor is
2
3
3
=
c J 1 a ( A a b + b A a ) + aa [ K a ] A a A a + ab A a A b .
=
b 1, b a
=a 1
(5.36)
In the special case of cubic symmetry, the number of material constants reduces to four,
=
=
+33 +1
+11
+22
=
=
33 1
11
22
=
=
31 2
12
23
=
=
3
1
2
(5.37)
88
R
=
(c ) + (c )
F 2
* 2
c* ,
(5.39)
and c F is the fixed charge density in the current configuration, related to the reference
configuration via,
0w
c0F ,
(5.40)
J 1 + 0w
where J = det F is the relative volume, R is the universal gas constant and is the absolute
cF =
temperature.
Note that c0 may be negative or positive. The gel porosity 0 is unitless and must be in the range
w
R J ( c F )
( J 1+ ) (c ) + (c )
w
0
+ R
F 2
(c ) + (c )
F 2
* 2
* 2
II
(5.41)
c * ( 2I I I I ) .
89
R ( c c * ) .
=
(5.43)
c is the interstitial fluid in the current configuration, related to the reference configuration via,
0w
c=
c0 ,
(5.44)
J 1 + 0w
where R is the universal gas constant and is the absolute temperature.
Though this material is porous, this is not a full-fledged poroelastic material. The behavior
described by this material is strictly valid only after the transient response of interstitial fluid and
solute fluxes as subsided. The corresponding spatial elasticity tensor is
Jc
=
c R
I I + ( c c * ) ( 2I I I I ) .
w
J 1 + 0
(5.45)
1
2
K ( ln J ) .
2
(5.46)
Here, c1 and c2 are the Mooney-Rivlin material coefficients, I1 and I2 are the invariants of
the deviatoric part of the right Cauchy-Green deformation tensor, C = F T F , where F = J ( 1 3) F ,
F is the deformation gradient and J = det ( F ) is the Jacobian of the deformation. When c2 = 0 ,
this model reduces to an uncoupled version of the incompressible neo-Hookean constitutive
model.
The Cauchy stress is given by
=pI +
2
1
c1 + c2 I1 ) b c2b 2 ( c1 I1 + 2c2 I2 ) I .
(
J
3
(5.47)
2
( dev I + I dev ) + c w ,
3
(5.48)
where,
=
cw
4
1
4c
c1 I1 + 2c2 I2 ) I I I I + 2 ( b b b b )
(
3J
3
J
4c
8c I
2 ( I1b b 2 ) I + I ( I1b b 2 ) + 2 2 I I .
3J
9J
(5.49)
This material model uses a three-field element formulation, interpolating displacements as linear
field variables and pressure and volume ratio as piecewise constant in each element [31].
90
(5.50)
Note that the neo-Hookean and Mooney-Rivlin models can also be obtained from the general
Ogden strain energy function using special choices for
ci and mi .
( C2 ( I1 3))
CC
1 1 2 ( I2 3) + U ( J ) .
(5.51)
is found from
where
=
pI + dev ,
2
= (W1 + I1W2 ) b W2b 2 .
J
W1 = C1C2e
W2 =
C2 ( I1 3)
C1C2
.
2
(5.52)
(5.53)
(5.54)
(5.55)
This material model was the result from the research of the elastic response of skin tissue [37].
91
Their proposed strain-energy is a truncated Taylor series of the inverse Langevin function. A
formulation that retains the first five terms of this function takes on the following form:
5
=
W ii1 ( I1i 3i ) + U ( J ) ,
i =1 N
(5.56)
are
1
1
11
19
519
, 2
, 3
, 4
, 5
.
=
=
=
=
2
20
1050
7000
673750
(5.57)
2W 1
2
pI + dev (W1b ) =
pI + 1 b I1I ,
=
J
J 3
(5.58)
where,
i 1
5
I
W
=
W1 = i i 1 .
I1
i =1
N
(5.59)
( )
2
K
W= F1 ( I1 , I2 ) + F2 + ln ( J ) .
2
(5.60)
Here I1 and I2 are the first and second invariants of the deviatoric version of the right Cauchy
and is the deviatoric part of the stretch along the fiber direction
Green deformation tensor C
A , where A is the initial fiber direction). The function
( 2 = A C
response of the isotropic ground substance matrix, while F2 represents the contribution from the
fiber family. The strain energy of the fiber family is as follows:
F2
0, 1;
=
F
C 1
2 C3 e 4 ( ) 1 ,
=
F2
C5 + C6 ,
=
1 < < m ;
(5.61)
m .
92
This material model uses a three-field element formulation, interpolating displacements as linear
field variables and pressure and volume ratio as piecewise constant on each element [31].
(5.62)
=
H ( In 1) n ( n ) sin d d ,
0
=
c
H ( I 1)c ( n ) sin dd .
2
(5.63)
In = n2 = N C N is the square of the fiber stretch F , N is the unit vector along the fiber
direction (in the reference configuration), which in spherical angles is directed along ( , ) ,
n= F N / and H ( ) is the unit step function that enforces the tension-only contribution. The
n
fiber stress is determined from a fiber strain energy function in the usual manner:
=
n 2 J 1 In
n n,
In
whereas the fiber elasticity tensor is
2
c n 4 J 1 In2 2 n n n n ,
=
I
(5.64)
(5.65)
( n, I )= ( n ) ( I 1) ( n ) .
n
n
(5.66)
2
2
32
1
2
1/2
(5.67)
1/2
cos 2 sin 2 sin 2 sin 2 cos 2
+
+
(n ) =
.
12
22
32
Since fibers can only sustain tension, this material is not stable on its own. It must be combined
with a material that acts as the ground matrix. The total stress is then given by the sum of the
fiber stress and the ground matrix stress:
=
m + f .
(5.68)
93
= 2 J 1 H ( In 1) In
n n ,
In
and the corresponding spatial elasticity tensor is
2
c 4 J 1 H ( In 1) In2 2 n n n n
=
I
(5.69)
(5.70)
(5.71)
and n= F N / n and H ( ) is the unit step function that enforces the tension-only contribution.
The fiber strain energy density is given by
exp ( In 1) 1 ,
(5.72)
( I 1) .
=
lim
n
0
(5.73)
Note: when > 2 , the fiber modulus is zero at the strain origin ( In = 1 ). Therefore, use > 2
when a smooth transition in the stress is desired from compression to tension.
1 c eQ 1 + U ( J ) ,
=
(5.74)
where
3
3
2 + (M : E
)( M : E
) .
=
Q c 1 2 a M a : E
(5.75)
ab
a
b
=
a 1=
b 1
I ) and M=
A a A a , where A a are orthonormal vectors that define the initial
Here,=
E 1 2 ( C
a
direction of material axes. The orthotropic Lam coefficients should be chosen such that the
stiffness matrix,
94
12
11 + 2 1
22 + 2 2
12
23
13
0
0
0
0
0
0
is positive definite.
13
23
0
0
0
0
0
0
1
( 1 + 2 )
2
1
( 2 + 3 )
2
33 + 2 3
1
( 1 + 3 )
2
0
0
0
(5.76)
( )
( )
C +
TC + U ( J ) .
( C, 1 , 2 , 3 ) =
iso
i
i
i =1
(5.77)
and the dilatational energy U are the same as for the MooneyThe isotropic strain energy
iso
Rivlin material. The tension-compression term is defined as follows:
( )
TC
=
i
i
1
i i
0,
i > 1
, i 0
(no sum on i)
(5.78)
i 1
The i parameters are the deviatoric fiber stretches of the local material fibers,
i =
( A C A )
1/ 2
(5.79)
The local material fibers are defined (in the reference frame) as an orthonormal set of vectors A i .
The corresponding deviatoric part of the Cauchy stress is
3
1
=
J 1
a ai
(5.80)
i
i =1
i
where ai= F A i .
5.4. Viscoelasticity
For a viscoelastic material the second Piola Kirchhoff stress can be written as follows [39]:
(5.81)
95
t
dS e
ds ,
(5.82)
ds
where S e is the elastic stress and G(t) is the relaxation function. Here we consider the special
case where the relaxation function is given by
G (t s )
S (t )
=
G (t ) =
0 + i exp ( t / i ) .
(5.83)
i =1
With this function chosen for the relaxation function, we can write the total stress as
S=
(t )
dS e
+
+
t
s
exp
/
) i)
((
i
0
ds
i =1
t
ds .
(5.84)
H =
(t )
(i )
exp ( t s ) / i
dS e
ds ,
ds
(5.85)
=
S ( t ) 0S e ( t ) + i H ( ) ( t ) .
i
(5.86)
i =1
In FEBio,
0 = 1 , so S e
The question now remains how to evaluate the internal variables. From equation (5.85) it appears
that we have to integrate over the entire time domain. However, we can find a recurrence
relationship that will allow us to evaluate the internal variables at a time t + t given the values at
time t.
t +t
dS e
i
ds
H ( ) ( t=
+ t ) exp ( t + t s ) / i
ds
= exp ( t / i ) exp ( t s ) / i
dS e
ds +
ds
t +t
exp ( t + t s ) / i
dS e
ds
ds
(5.87)
t +t
dS e
ds .
= exp ( t / i ) H ( t ) + exp ( t + t s ) / i
ds
t
The last term can now be simplified using the midpoint rule to approximate the derivate. In that
case we find the recurrence relation:
1 exp ( t / i ) e
i
i
H ( ) ( t + =
t ) exp ( t / i ) H ( ) ( t ) +
(5.88)
( S ( t + t ) Se ( t ) ) .
t / i
(i )
()
The following procedure can now be applied to calculate the new stress. Given S n and H n
e
()
corresponding to time t, find S n+1 and H n+1 corresponding to time t + t :
e
W e
Cn +1
i
exp ( t / i ) H in +
2. evaluate internal variables: H=
n +1
1 exp ( t / i )
t / i
(S
e
n +1
S en )
S n +1 0S en +1 +
3. find the total stress:=
96
N
H
i =1
i
n +1
97
(5.90)
where r is the strain energy density of strong bonds and 0 is the strain energy density of
b
u
weak bonds, when they all belong to the same generation. In this expression, w ( X, t ) is the
mass fraction of u generation weak bonds, which evolves over time as described below. The
summation is taken over all generations u that were created prior to the current time t . The
Cauchy stress in a reactive viscoelastic material is similarly given by
(F) =
e ( F ) + wu b F u
(5.91)
( )
where e is the stress in the strong bonds and b is the stress in the weak bonds. These stresses
are related to the respective strain energy densities of strong and weak bonds according to
b
u
e
1 r ( F ) T
1 0 ( F )
e
b
u
u T
(F) =
F , (F ) =
F
(5.92)
(
)
J F
J F u
u
The mass fractions w ( X, t ) are obtained by solving the equation of mass balance for reactive
constrained mixtures,
wu
= w u ( F, w )
t
(5.93)
where the mass fraction supply w u must be specified as a constitutive function of the
deformation gradient F and the mass fractions w from all generations. Since mass must be
conserved over all generations, it follows that
=
(5.94)
w u 0,=
wu 1
u
Any number of valid solutions may exist for wu , based on constitutive assumptions for w u . For
example, for u generation bonds reforming in an unloaded state during the time interval
98
0
t <u
u
u
w ( X, t ) f ( X, t )
ut <v
=
u
u
f ( X, v ) g ( F ( v ) ; X, t v ) v t
where
f u ( X, t ) = 1 w ( X, t )
(5.95)
(5.96)
<u
and g ( F u ( v ) ; X, t v ) is a reduced relaxation function which may assume any number of valid
forms.
decreases monotonically with t .) In particular, g may depend on the strain at time v relative to
the reference configuration of the u generation. In the recursive expression of (5.95), the
u
earliest generation u = , which is initially at rest, produces w ( t ) = 1 for t < v and
=
wu ( t ) g ( F u ( v ) ; X, t v ) for t v ; this latter expression seeds the recursion for subsequent
generations. Therefore, providing a functional form for g suffices to produce the solution for
all bond generations u .
For Type II bond kinetics, the solution for the mass fractions is given by
t <u
0
(5.97)
wu ( t ) = 1 g ( t u )
ut <v
g (t v ) g (t u ) v t
For this type of bond kinetics, the reduced relaxation function g cannot depend on the
magnitude of the strain, because strain-dependence might violate the constraint 0 wu 1 .
For all bond kinetics, it is also possible to constrain the occurrence of the breaking-andreforming reaction to specific forms of the strain. For example, the reaction may be allowed to
proceed only in the case of dilatational strain, or only in the case of distortional strain.
The finite element implementation of reactive viscoelasticity stores the value of
1
F ( X,u ) every time that a bond-breaking deformation is detected; this value can be used to
u
u
u
evaluate F ( X, t ) using (5.89). It also stores w ( X, v ) = f ( X, v ) , where
immediately following u , which is then used for evaluating wu for subsequent time steps t > v
when using Type I bond kinetics, using the expressions of (5.95) and (5.96). These measures are
then used to evaluate the stress from (5.91), with the summation taken over the time steps that
correspond to bond-reforming generations.
99
(5.98)
For this material model, k is constant. Generally, this assumption is only reasonable when
strains are small.
5.6.2. Holmes-Mow
This isotropic material is similar to the constant isotropic permeability material described above,
except that it uses a strain-dependent permeability tensor [34]:
k = k (J )I ,
(5.99)
where,
J 0 12 M ( J 2 1)
k ( J ) = k0
.
e
1
(5.100)
J r M ( J 1) 2 ,
(5.101)
k = k0 r I + 12r b + 24r b 2
e
s
J
J
1 r
2
Note that the permeability in the reference state ( F = I ) is isotropic and given by
k = ( k0 r + k1r + k2 r ) I .
k = k0 I + k1a m a + k2a ( m a b + b m a ) ,
a =1
where,
(5.102)
100
0
J rs M 0 ( J 2 1)
k0 = k0 r
e
s
k1ar J rs M a ( J 2 1) 2
=
=
k
, a 1, 2,3
e
J 2 1 rs
a
1
(5.103)
k2ar J rs M a ( J 2 1) 2
=
=
k
, a 1, 2,3.
e
2 J 4 1 rs
a
2
m a are second order tensors representing the spatial structural tensors describing the orthogonal
planes of symmetry, given by
m a =
F ( Va Va ) FT , a =
1 3,
where
(5.104)
Va are orthonormal vectors normal to the planes of symmetry. Note that the permeability
k0 r I +
in the reference state ( F = I ) is given by k =
(k
3
a =1
a
1r
+ k2ar ) Va Va .
J rs M 0 ( J 2 1) 2
k = k0 r
I
e
s
1 r
T
kT
J rs M T ( J 2 1)
kT
+ 12r ( b m ) + 2 r4 2b 2 ( m b + b m )
e
s
2J
J
1 r
s
1
1
J r
+ 2 k1Ar m + 4 k2Ar ( m b + b m )
s
2J
J
1 r
m is a second order tensor representing the spatial
direction, given by
m =F ( V V ) FT ,
(5.105)
M A ( J 2 1) 2
,
e
where V is a unit vector along the axial direction. Note that the permeability in the reference
state ( F = I ) is given by k = ( k0 r + k1Tr + k2Tr ) I + ( k1Ar k1Tr + k2Ar k2Tr ) ( V V ) .
101
(5.107)
For this material model, d is constant. This assumption is only true when strains are small.
Note that the user must specify d d 0 , where d 0 is the solute diffusivity in free solution, since
a solute cannot diffuse through the biphasic-solute mixture faster than in free solution.
=
d
d
a =1
Va Va ,
(5.108)
where Va are orthonormal vectors normal to the planes of symmetry. For this material model,
the d a are constant. Therefore this model should be used only when strains are small. Note that
the user must specify d d 0 , where d 0 is the solute diffusivity in free solution, since a solute
cannot diffuse through the biphasic-solute mixture faster than in free solution.
a
,
(5.109)
d = d0r I + 2 b + 4 b
e
s
J
J
1 r
2
where J is the jacobian of the deformation, i.e. J = det F where F is the deformation
gradient, and b= F FT is the left Cauchy-Green tensor. Note that the diffusivity in the
reference state ( F = I ) is isotropic and given by d = ( d 0 r + d1r + d 2 r ) I .
d= d 0 I + d1a m a + d 2a ( m a b + b m a ) ,
a =1
where,
(5.110)
102
0
J rs M 0 ( J 2 1)
d0 = d0r
e
s
d1ar J rs M a ( J 2 1) 2
=
=
d
, a 1, 2,3
e
J 2 1 rs
a
1
(5.111)
d 2ar J rs M a ( J 2 1) 2
=
=
d
, a 1, 2,3 ,
e
2 J 4 1 rs
a
2
J is the Jacobian of the deformation, i.e. J = det F where F is the deformation gradient. m a
are second order tensor representing the spatial structural tensors describing the orthogonal
planes of symmetry, given by
m a =
F ( Va Va ) FT , a =
1 3,
(5.112)
where
Va are orthonormal vectors normal to the planes of symmetry. Note that the permeability
k0 r I +
in the reference state ( F = I ) is given by k =
(k
3
a =1
a
1r
+ k2ar ) Va Va .
103
104
is constant.
105
Ca02
T = Tmax
C (t ) ,
(5.114)
2
Ca02 + ECa50
where Tmax = 135.7 KPa is the isometric tension under maximal activation at the peak
intracellular calcium concentration of Ca0 = 4.35 M. The length dependent calcium sensitivity
is governed by the following equation:
a
ECa50 =
(Cao ) max
exp [ B (l l0 ) ] 1
(5.115)
where (Ca0)max = 4.35 M is the maximum peak intracellular calcium concentration, B = 4.75
m-1 governs the shape of the peak isometric tension-sarcomere length relation, l0 = 1.58 m is
the sarcomere length at which no active tension develops, and l is the sarcomere length which is
the product of the fiber stretch and the sarcomere unloaded length lr = 2.04 m.
106
=
S a T aar ar
ar
(5.116)
(5.117)
S a= T a ( I a r a r )
ar ,
(5.118)
=
a J 1T a ( B a a )
(5.119)
where B= F F is the left Cauchy-Green tensor. The material and spatial tangents are zero.
T
(5.120)
a = J 1T a B
(5.121)
107
= k ( , F, r ) ( c ) .
(5.122)
A constitutive relation for the specific reaction rate k ( , F, r ) must also be provided.
R = k R ( , F, r ) ( c )
(5.123)
= F R = F 1 K c ( , F, r ) ( c ) ,
where
5.12.3. Michaelis-Menten
Michaelis-Menten is a model for enzyme kinetics as represented by the reactions
e + s
es e + p
(5.124)
where is the enzyme, is the substrate, is the enzyme-substrate complex, and is the
product. The molar mass supply c p producing p is related to the concentration of the substrate
s via
V cs
c p = max s ,
(5.125)
Km + c
e
es
Vmax is the maximum rate achieved by the system, at maximum (saturating) substrate
concentrations. K m is the substrate concentration at which the reaction rate is half of Vmax .
where
This relation may be derived by applying the law of mass action to the two reactions in (5.124).
under the simplifying assumption that the reversible reaction between the enzyme and substrate
108
reaches steady state much faster than the subsequent forward reaction forming the product. If the
first and second reactions are denoted by subscripts 1 and 2, respectively, the law of mass action
for the first (reversible) and second (forwar) reaction produces
1 =
k F 1c e c s k R1c es , 2 =
k F 2 c es
, c p =
, ces =
.
c s =
1
(5.126)
c=
c + c , so that
The total enzyme concentration remains constant at
0
e
s
s
es
1 = k F 1c0 c ( k F 1c + k R1 ) c . If we now assume that the first reaction equilibrates much faster
e
es
c0e c s
c s
,
c + Km
es
where
(5.127)
K m = kR1 / kF 1 . Then,
V cs
2 = s max
c + Km
e
s
where Vmax = k F 2 c0 represents the maximum value of 2 , when K m c . In practice, choosing
k F, rs
=
s 0 ,
J M r
s
r
(5.128)
where B is a constant,
is the threshold value for the specific strain energy. In this relation,
J = det F is evaluated from the solid deformation and r is evaluated from (2.151).
s
109
6.1.1. Kinematics
The position vector x of a finite element node may be denoted as,
x= X + u ,
(6.1)
where X is the initial position of the node and u the displacement vector. If this node is
connected to a rigid body the position can alternatively be written as,
x= r + a ,
(6.2)
where r is the current position of the center of mass of the rigid body and a is the relative
position of the node to the center of mass. The vector a may be written in terms of its initial
value
(6.3)
u = r + Qa0 ,
(6.4)
where the linearization of the rotation matrix can be expressed in a more convenient form,
Q =a .
(6.5)
T
Here is =
[ 1 , 2 , 3 ] and the matrix a is
a3 a2
0
a = a3 0
a1 .
(6.6)
a2 a1 0
For a model containing both deformable and rigid nodes the nodal degrees of freedom may be
grouped, and the above expressions used to obtain a condensed set of unknowns:
u D
D
u I 0 0
(6.7)
R =
r =Au .
u 0 I a
Substituting this into the discrete form of the principle of virtual work yields expressions for the
condensed finite element stiffness matrix and residual vector for the coupled rigid-deformable
system:
110
(6.8)
. The nodal positions of the
Equation (6.8) is now solved for the incremental update vector u
deformable nodes can now be updated in the usual way.
k +1
u nD+,=
u nD+,1k + u D
1
(6.9)
Here, k is the iteration index of the Newon-Raphson iterations. The center of mass of the rigid
body can now also be updated in a similar way.
+1
rnk+=
rnk+1 + r
1
(6.10)
To update the rotational degrees of freedom we employ quaternion algebra. The orientation of
the rigid body at time n+1 is represented by the (unit) quaternion q n +1 = ( wn +1 , x n +1 ) . The
rotational update vector can be written as a quaternion as follows.
1
=
q cos ,
sin
2
1/ 2
1
12 + 22 + 32 )
=
(
2
The updated orientation quaternion is then given by the quaternion product.
q kn ++11 =q q nk +1
(6.11)
(6.12)
Finally, we must ensure that the updated quaternion is a unit quaternion. To accomplish this we
normalize the quaternion.
q = q / q
(6.13)
Normalizing the quaternion guarantees that it represents a proper rotation.
r =
(6.14)
F .
T
R
( K DR )
K
R
M
R
Here F is formed by adding all the residual vectors of all interface nodes that connect the
deformable body to the rigid body,
F R = R iD ,
(6.15)
i
M R = a i R iD .
(6.16)
It is recognized that F R is simply the total residual force that is applied to the rigid body and M R
is the total residual torque.
111
Constructing the stiffness matrix is accomplished in a similar manner. Assume n nodes per
element, then the normal element stiffness matrix (in absence of rigid nodes) is given by,
k11 k1n
(e)
k = ,
(6.17)
k n1 k nn
where k ij is the nodal stiffness matrix connecting node i to node j. These nodal stiffness matrices
are now assembled into the global stiffness matrix. If node i and j are neither interface nodes
their nodal stiffness matrix is assembled into K D in the usual manner,
K D = k ij( e ) ,
(6.18)
where the sum now has to interpreted as the finite element assembly operator.
If node j is an interface node, than the nodal stiffness matrix gets assembled in the K DR matrix:
K DR = k ij( e ) k ij( e )a j .
(6.19)
e
If both nodes belong to the rigid body than the nodal element matrix gets assembled in K R as
follows,
k (e)
k ( e )a
K R = T ij( e )T T ij ( e ) j .
a i k ij a j
e
a i k ij
(6.20)
1
F1
T
DR
R
R
K
K11 K12 1 = M1 .
(6.21)
1
DR T
F
R
R r2
2
K 21
K 22
K 2
2
M 2
Care must be taken to assemble the nodal stiffness matrix in the correct global sub-matrix. If
node i is not an interface node and node j is connected to rigid body 1, then their nodal stiffness
(
(
)
)
DR
matrix goes into K1 . If, however, node j is attached to rigid body 2 then their nodal stiffness
DR
matrix goes into K 2 . If node i is connected to rigid body 1 and node j is connected to rigid body
R
2, then their nodal stiffness matrix goes into K12 , and so on. Note that it is assumed here that a
node may only connect to a single rigid body.
112
2)
(Y ) =0 .
c
(6.22)
()
Here Y c is the location of the joint in the reference configuration and ( i = 1, 2 ) is the
deformation map of rigid body i. Equation (6.22) is a constraint equation that will be added to
the total balance of virtual work.
i
G int,ext ( ) , w( ) =
w( ) ( Y c ) T( ) 0 .
=i 1 =i 1
G ( , w )
=
(6.23)
Gc
(i )
Here, the T s are the forces that will prevent the rigid bodies to separate at the joint position
(i )
(i )
and w = . First we note that due to the third law of Newton T(1) = T( 2) , so that we can
write the constraint term as,
G c ( , w ) =
T( ) w( ) w(
1
2)
)(Y ) .
c
(6.24)
G c ( , w ) =
T( ) c .
1
(6.25)
The constraint forces are determined by the augmented Lagrangian method and are given by,
T= + cc ,
where is the Lagrange multiplier and
The linearization of (6.25) is given by,
(6.26)
G c ( , w ) = ( c c c )
= c c c .
(6.27)
Using the rigid body assumption, the quantity c can be written as follows,
c = ( ) ( Y c ) (
1
2)
(Y )
c
= r1 + y 1c 1 r2 y c2 2 .
And similarly for c . If we now introduce the vectors,
(6.28)
113
r1
1
N
=
=
r2
T
y T T
1 .
T
T
y 2 T
(6.29)
(6.30)
G c =
T K c .
(6.31)
I
y T
Kc = c 1
I
T
y 2
y 1
y 1T y1
y1
y T2 y1
I
y1T
I
y T2
y 2
y1T y 2
.
y2
y T2 y 2
(6.32)
( ) =
( ) u( ) (c ) , where ( ) is the boundary where tractions are applied, u( ) the boundary
i
(i )
where the solution is prescribed and c the part of the boundary that will be in contact with the
(i )
(i )
(i )
.
other body. It is assumed that u c =
114
(i )
( ( ) ) is denoted by ( ) = ( ) ( ) ( ) where =( )
i
( )
(i ) (i ) is the boundary
(i )
in the current configuration where the tractions are applied and similar definitions for u and
c( i ) . See the figure below for a graphical illustration of the defined regions.
Points in body 1 are denoted by X in the reference configuration and x in the current
configuration. For body 2 these points are denoted by Y and y. To define contact, the location
where the two bodies are in contact with each other must be established. If body 1 is the slave
body and body 2 is the master body, then for a given point X on the slave reference contact
surface there is a point Y ( X ) on the master contact surface that is in some sense closest to point
X. This closest point is defined in a closest point projection sense:
=
Y ( X ) arg min( 2) ( ) ( X ) (
1
Yc
2)
(Y) .
(6.33)
With the definition of Y ( X ) established the gap function can be defined, which is a measure for
the distance between X and Y ( X ) ,
g ( X ) = ( ) ( X ) (
1
2)
( Y ( X))) ,
(6.34)
where is the local surface normal of surface c evaluated at y = ( 2) ( Y ( X ) ) . Note that g > 0
( 2)
when X has penetrated body 2, so that the constraint condition to be satisfied at all time is g 0 .
115
where w( i ) is a weighting function and P is the 1st Piola-Kirchhoff stress tensor. The last term
corresponds to the virtual work of the contact tractions on body i. For notational convenience,
the notations and w are introduced to denote the collection of the respective mappings
and w( i ) (for i=1,2). In other words,
: (1) ( 2) 3 ,
w : ( ) ( ) 3 .
1
(i )
(6.36)
The variational principle for the two body system is the sum of (6.35) for body 1 and 2 and can
be expressed as,
2
G ( , w ) := G ( ) ( ) , w( )
i
i =1
(i )
(i )
(i )
(i )
(i )
(i )
P
F
T
GRAD
w
d
w
d
w
d
:
i
i
i =1 ( i )
( )
(s )
(6.37)
G int,ext ( , w )
i =1
(i )
T( ) d .
i
(i )
G c ( , w )
Or in short,
G ( , w ) G int,ext ( , w ) + G c ( , w ) .
=
(6.38)
Note that the minus sign is included in the definition of the contact integral G c . The contact
integral can be written as an integration over the contact surface of body 1 by balancing linear
momentum across the contact surface:
2
2
1
1
(6.39)
t ( ) ( y ( x ) ) d ( ) =
t ( ) ( x ) d ( ) .
The contact integral can now be rewritten over the contact surface of body 1:
t ( ) ( x ) w( ) ( x ) w(
Gc =
(1)
1
2)
( y ( x ) ) d .
(6.40)
In the case of frictionless contact, the contact traction is taken as perpendicular to surface 2 and
(1)
is
determined from the solution strategy. For example in a Lagrange multiplier method the t N s
would be the Lagrange multipliers.
By noting that the variation of the gap function is given by
(6.35)
116
g = w(1) ( x ) w( 2) ( y ( x ) ) ,
(6.41)
Gc
=
t gd .
(6.42)
1
( )
c
G c ( , w ) =
(tN g ) d .
(6.43)
1
( )
c
= H ( g ) N g ,
where
by,
(6.44)
N is the penalty factor and H ( g ) is the Heaviside function. The quantity ( g ) is given
2
( g ) =g ,( ) ( Y ( X ) ) + ( Y ( X ) ) m
,(2) ( Y ( X ) ) + ( Y ( X ) )
+ , ( Y ( X ) ) + , ( Y ( X ) )
( 2)
( 2)
(6.45)
+ ( Y ( X ) ) .
gd ,
(6.46)
1
( )
will now be discretized using a standard finite element procedure. First it is noted that the
integration can be written as a sum over the surface element areas:
=
G c ( , w )
N sel
e =1 (1)e
t N gd ,
(6.47)
where N sel is the number of surface elements. The integration can be approximated using a
quadrature rule,
e
N sel Nint
c
G ( , w ) wi j ( i ) t N ( i ) g ( i ) ,
(6.48)
=e 1 =
i 1
117
where N int are the number of integration points for element e. It is now assumed that the
integration points coincide with the elements nodes (e.g. for a quadrilateral surface element we
have 1 = ( 1, 1) , =
(1, 1) , 3 = (1,1) and 4 = ( 1,1) ). With this quadrature rule, we have
2
w( ) ( i ) = c(i )
1
w(
2)
(6.49)
( i ) = N j ( i ) c(j ) ,
n
j =1
so that,
j =1
g ( i ) = ci(1) N (j 2) ( i ) c(j2) .
(6.50)
, N1( 2) , , N n( 2) ,
NT =
c
G ( , v ) wi j ( i ) t N ( i ) T NT .
=e 1 =
i 1
(6.51)
(6.52)
G c ( , w ) =
(t
e =1 (1)e
g ) d
(6.53)
e
N sel Nint
w j ( ) ( t
i
=e 1 =i 1
g )( i ) .
e
N sel Nint
w j ( ) k ,
c
e =1
(6.54)
(6.55)
where,
118
N1 ( )
N1 ( )
N1, ( )
=
N =
, T =
, N
.
N ( )
N ( )
N ( )
4
4,
The following vectors are also defined which depend on the vectors of (6.56):
1
A22 ( T1 + gN1 ) A12 ( T2 + gN 2 )
=
D1
det A
1
A11 ( T2 + gN 2 ) A12 ( T1 + gN1 )
=
D2
det A
N=
N1 12 D2
1
(6.56)
(6.57)
N=
N 2 12 D1 ,
2
where the matrix A is defined as,
A=
mij + g ij .
ij
(6.58)
Here, mij= i j is the surface metric tensor and ij = t(,2ij) ( Y ) denotes the components of the
surface curvature at .
is a penalty factor
The Newton-Raphson iterative method is now used to solve the nonlinear contact problem where
Uzawas method (REF) is employed to calculate the Lagrange multipliers N . This implies that
the Lagrange multipliers are kept fixed during the Newton-Raphson iterations. After
convergence the multipliers are updated and a new NR procedure is started. This procedure can
be summarized by the following four steps.
1. Initialize the augmented Lagrangian iteration counter k, and the initial guesses for the
multipliers:
N( 0n)+1 = Nn ,
k = 0.
(k )
(6.60)
2. Solve for d n+1 , the solution vector corresponding to the fixed kth iterate for the
multipliers,
119
( ) ( )
where the contact tractions used to compute F c , the contact force, are governed by
k
=
N( k ) + N g nk+1 .
t N( )
n +1
n +1
(6.61)
(6.62)
N( k ) + N g n( k+)1 ,
n+1
k= k + 1.
4. Return to the solution phase.
(6.63)
Steps 2-4 of the above algorithm are generally repeated until all contact constraints are satisfied
to a user-specified tolerance or little change in the solution vector from augmentation to
augmentation is noted.
i =
f SI Ei Ai2
.
Vi
(6.64)
Ei is the effective Youngs modulus along the facet normal, Ai the surface area of the
facet, Vi the volume of the element to which this facet belongs and f SI a user defined scale
factor. The parameter Ei is evaluated from the elasticity tensor c and the facet unit normal n
Here,
according to
1
=
( n n ) : c1 : ( n n )
Ei
(6.65)
1
where c is the compliance tensor.
120
The second alternative differs more significantly from the method described above. It also begins
with the definition of a single contact integral over the slave surface.
Gc =
t c (1) ( 2) da .
(1)
(6.66)
But a different derivation is followed to obtain the linearization of this contact integral. The main
reason for this difference is a subtly alternative definition for the gap function. In this method, it
is defined as follows.
g ( X) =
( ) ( ) ( X ) (
1
2)
( Y ( X))) ,
(6.67)
where, (1) is the normal of the slave surface (opposed to the master normal as used in the
derivation above). In this case, the point Y ( X ) is no longer the closest point projection of X onto
the master surface, but instead is the normal projection along (1) . The linearization of equation
(6.67) now becomes,
(6.68)
g =
(1) (1) ( X ) ( 2) ( X ) (i 2)i .
( 2)
are the tangent vectors to the master surface at Y ( X ) . Note that since (1) is
i
normal to the slave surface, equation (6.68) does not reduce to equation (6.41).
In one assumes frictionless contact, the contact traction can be written as follows,
Where, i( 2) =
(1)
=
t c tn=
tn
(1)
1(1) (21)
1(1) (21)
(6.69)
)(
1
2
1
1
Gc =
tn ( ) ( ) 1( ) (2 ) d .
(1)
(6.70)
Where we assumed that the integration domain can be mapped to a 2D parametric domain,
x = x ( ) .
The linearization of (6.70) now proceeds in the usual fashion. Omitting the details, it can be
shown that the linearization of the contact integral results in,
DG
=
c
(1)
tn
(1)
(1)
u1
(1) u
(1)
( u1 u 2 ) a a g 1
u
u
1
1
+ tn (1 2 ) 1 (2 ) + 1( ) 1 d ,
2
1
(1)
= ( ) ( ) and a = ( a 1 ) .
where, a
u 2 u1 + ( ) (2) (1 2 ) 1( ) (2 ) d
1
(6.71)
121
The discretization of the contact integral and its linearization now proceeds as usual. We will not
derive the details, but it is important to point out that the resulting stiffness matrix for this
particular contact formulation is not symmetric. Although this method has shown to give good
results, especially in large compression problems, it was desirable to derive a symmetric version
as well. Because of this, a slightly different formulation was also developed that does reduce to a
symmetric stiffness matrix although this symmetric version did not seem to perform as well as
the non-symmetric one.
(1)
()
( )
()
()
( v v ) t da
+ ( p ( ) p ( ) ) w( ) da ( ) .
(1)
1
n
(1)
(6.72)
In the current implementation, only frictionless contact is taken into consideration, so that the
(i )
(i )
contact traction has only a normal component, t = tnn . To evaluate and linearize
the covariant basis vectors on each surface as
x(i )
=
g
=
, 1, 2 ,
(i )
(i )
(6.73)
coordinates of that point. The unit outward normal on each surface is then given by
g(i ) g(i )
n( i ) = 1( i ) (2i ) .
g1 g 2
Now the contact integral may be rewritten as
Gc = (1) v (1) v ( 2) tn g1(1) g (21) d(11) d(21)
(
)
+ ( p ( ) p ( ) ) w( ) g ( ) g ( ) d( ) d( ) ,
(1)
1
n
1
1
Gc , define
1
2
1
1
(6.74)
(6.75)
2
1
D G
i =1
u(i ) + D Gc p (i ) .
(6.76)
122
The linearization of variables associated with motion, pressure, and concentration, is given by
u(1) , Dx( 2) =
u( 2) + g( 2) (2)
Dx(1) =
p (1) , Dp ( 2) =
p ( 2) +
Dp (1) =
p ( )
(2)
(2)
2
v ( )
(2)
( 2)
(6.78)
v (1) 0,
D=
=
Dv ( 2)
D p (1) =0,
p ( 2)
D=
p ( )
(2) ,
( 2)
2
where
(2) = u( ) u(
1
2)
a g ( ) a gn( )
1
u( )
(1)
1
(6.79)
= g( ) g ( ) .
with a = ( A ) and A
1
g0
0
where
tn . Similarly, let
(6.80)
wn =
p =
p p( ) p(
1
2)
),
tn < 0
(i )
(6.81)
=
p
0,=
tn 0
where
Dt=
n u( ) u( ) + g( ) (2) n( ) ,
n
2
( 2)
(6.82)
(1)
( 2 ) p
Dw=
p
p
.
n
p
(2) ( 2)
Given these relations, it can be shown that the directional derivatives of the various terms
Gc
are
( (
D tn v ( ) v (
1
+ J( )tn
1
2)
123
J ( ) ( v ( ) v ( ) ) ( n( ) n( ) ) ( u( ) u( ) )
) g( ) g( ) ) =
1
1
)(
2)
2)
) ( p( ) p( ) )
1
2
(1)
p ( )
(1)
( 2 ) p
J p p p
g (1) + wn
g ( 2) u(1) u( 2)
(1)
( 2)
(1)
u(1) (1)
(1)
(1) u
(1)
( 2)
,
+ wn p p n
g 2 + g1
2
(11)
1
(
)
(1)
(1)
(1)
where J=
g1 g 2 .
(1)
(6.83)
(1)
u(1)
(1)
(1) u
,
g
g
2
1
2
(11)
1
(
)
D wn p ( ) p ( ) =
J( ) p p ( ) p (
g1( ) g (2 )
1
v ( )
2
1
2
n( ) g( 2) u( ) u( )
( 2)
+t n v ( ) v (
( (
1
2
(6.84)
6.4.4. Discretization
The contact integral may be discretized as
( )
1
ne( ) nint
e
Gc
=
W J( ) t ( v( ) v( ) ) n( ) + w ( p( ) p( ) ) .
1
e 1=
k 1
=
(6.85)
=
v
1
m( )
2
m( )
N v , v
=
N ( ) v( )
(1)
(1)
( 2)
a
a
=
a 1=
b 1
(1)
u =
1
m( )
(1)
(1)
u ,
( 2)
u =
2
m( )
N ( ) u( )
c
c
=c 1 =
d 1
m( )
( 2)
(1)
(1)
a
a
=
a 1=
b 1
(1)
p
=
(1)
p =
1
m( )
(1)
(1)
p ,
( 2)
2
d
( 2)
b
( 2)
b
(6.86)
p =
2
m( )
N ( ) p( ) .
c
c
=c 1 =
d 1
Then,
N p , p
=
N
1
m( )
2
b
2
d
124
(e)
1
1
ne( ) nint
m( )
(1)
=
Gc Wk J (1)
=
e 1=
k 1
=a 1 v a
2
mk( )
+ 1
()
b =1 v
b,k
pa(1) f a(1)
(1)
wa
pb(1,k) fb(1,k)
(1)
wb ,k
(6.87)
where
f a(1) = N a(1)tnn(1) ,
fb(,2k) = N b( 2)tnn(1)
wa(1) = N a(1) wn ,
wb( 2,k) = N b( 2) wn .
(6.88)
Similarly,
( )
1
ne( ) nint
e
D Gc =
Wk J( )
1
e 1=
k 1
=
1
m(1)
m( )
1
(1,1)
()
(1)
=
a 1=
v a pa c 1 K ac
(1,1)
g ac
2
mk( )
+ 1,2
( )
d =1 K
ad , k
(1,2)
g ad ,k
( 2)
0 u d
(1,2 )
( 2)
g ad
pd
,k
2
mk( )
m(1)
+ 2
( 2,1)
( 2)
( )
b 1=
=
v b ,k pb ,k c 1 K bc ,k
( 2,1)
g bc ,k
2
mk( )
+ 2,2
( )
d =1 K
bd , k
( 2,2)
g bd ,k
0 u(c1)
(1,1)
(1)
g ac
pc
( 2) ,
0 u d
( 2)
( 2,2 )
gbd
pd
,k
1
0 u(c )
2,1
1
gbc( ,k) pc( )
(6.89)
125
where
=
K (ac1,1) N a(1) n N c(1) N (1) + tn A (c1)
(6.90)
K (bc2,1,k) =
N c(1) n N b( 2) N (1) + tn M (b2) tn N b( 2) A (c1)
)
N ( ) ( N ( )p ( ) w A ( ) n ( ) )
=
K (bd2,2,k) N d( 2) n N b( 2) N (1) + tn M (b2) ,
g (ac1,1)
=
1
a
1
c
1
c
(
N ( ) (
(6.91)
g (bc2,1,k) =
N c(1) p N b( 2)p(1) + wnm b( 2) + wn N b( 2) A (c1) n(1)
=
g (bd2,2,k)
(1)
g ac = p N a N c(1)
(1) ( 2 )
(1,2 )
g ad
,k = p N a N d
(6.92)
and
()
N=
n( ) n( )
1
(1)
(1)
1
N c (1) N c (1)
=
Ac
g1
1 g2
2
(1)
(1)
J
(1)
(1)
( )
M=
n( ) m (b )
b
2
m (b ) =
N b( )
g
(2) ( 2)
p( ) =
p ( )
g .
(1) (1)
(6.93)
(1) and ( 2) . Due to continuity requirements on the traction and fluxes, the
(i )
external virtual work resulting from contact tractions t (i ) , solvent fluxes wn and solute fluxes
126
G=
c
()
( )
() ()
( v v ) t da
+ ( p ( ) p ( ) ) w( ) da ( )
+ ( c ( ) c ( ) ) j ( ) da ( ) .
(1)
1
n
(1)
1
n
(1)
(6.94)
In the current implementation, only frictionless contact is taken into consideration, so that the
(i )
(i )
contact traction has only a normal component, t = tnn . To evaluate and linearize
the covariant basis vectors on each surface as
x(i )
=
=
, 1, 2 ,
g
(i )
(i )
Gc , define
(6.95)
coordinates of that point. The unit outward normal on each surface is then given by
g(i ) g(i )
n( i ) = 1( i ) (2i ) .
g1 g 2
(6.96)
(
)
+ ( p ( ) p ( ) ) w( ) g ( ) g ( ) d( ) d( )
+ ( c ( ) c ( ) ) j ( ) g ( ) g ( ) d( ) d( ) ,
1
n
(1)
(1)
1
n
1
1
1
1
1
2
1
1
1
2
1
1
2
1
(6.97)
2
1
D G=
c
D G
i =1
u(i ) + D Gc p (i ) + D Gc c (i ) .
(6.98)
The linearization of variables associated with motion, pressure, and concentration, is given by
127
Dx(1) =
u(1) , Dx( 2) =
u( 2) + g( 2) (2)
Dp
Dc
(1)
(1)
(1)
( 2)
(1)
( 2)
=
p , Dp
=
c ,
Dc
=
p
=
c
2
p ( )
+ (2)
( 2)
( 2)
2
c ( )
+ (2)
( 2)
( 2)
v ( )
(2)
(2)
(6.100)
D=
v (1) 0,
Dv ( 2)
=
D p (1) =0,
D=
p ( 2)
p ( )
(2)
(2)
D c (1) =0,
D=
c ( 2)
c ( )
(2) ,
(2)
where
( 2)
(1)
= u u
( 2)
u( )
a g a gn
(1)
(1)
(1)
(6.101)
= g( ) g ( ) .
with a = ( A ) and A
1
g0
0
where
tn . Similarly, let
wn =
p =
p p (1) p ( 2) ,
tn < 0
*
p (i ) p=
,
tn 0
=
and
jn =
c =
c c (1) c ( 2) ,
(i )
(6.102)
tn < 0
(6.103)
(6.104)
=
c
c=
tn 0 ,
,
where
p and c are penalty factors associated with wn and jn , respectively. It follows that
128
( 2)
( 2 ) p
Dw
p
p
=
(2)
(6.105)
n
p
( 2)
( 2)
(1)
( 2 ) c
Dj=
c c c (2) .
n
( 2)
Given these relations, it can be shown that the directional derivatives of the various terms
Gc
( (
D tn v ( ) v (
1
+ J( )tn
1
2)
are
J ( ) ( v ( ) v ( ) ) ( n( ) n( ) ) ( u( ) u( ) )
) g( ) g( ) ) =
1
1
1
2
v ( )
2
1
2
n( ) g( 2) u( ) u( )
(2)
+t n v ( ) v (
1
)(
2)
( (
) u
(1)
(1)
g (2 ) + g1( )
1
(6.106)
u( )
,
(21)
1
)(
g1(1) g (21)
D wn p (1) p ( 2) =
J(1) p p (1) p ( 2) p (1) p ( 2)
p (1)
p ( 2)
J(1) p p (1) p ( 2)
g
+
g ( 2) u(1) u( 2)
w
n
(1)
(1)
( 2)
(1)
u(1) (1)
(1) u
(1)
(1)
( 2)
,
+ wn p p n
g 2 + g1
2
(11)
1
(
)
(6.107)
( (
)(
g1(1) g (21)
D jn c (1) c ( 2) =
J(1) c c (1) c ( 2) c (1) c ( 2)
c (1)
c ( 2)
g
g ( 2) u(1) u( 2)
J(1) c c (1) c ( 2)
+
j
n
(1)
(1)
( 2)
(6.108)
(1)
(1)
(1)
(1) u
(1) u
(1)
( 2)
,
+ jn c c n
g 2 + g1
(11)
(21)
1
1
(1)
where J=
g1( ) g (2 ) .
6.5.4. Discretization
The contact integral may be discretized as
( )
1
ne( ) nint
e
=
Gc
W J( ) t ( v( ) v( ) ) n( ) + w ( p ( ) p ( ) ) + j ( c ( ) c ( ) ) .
e 1=
k 1
=
(6.109)
129
(1)
=
v
1
m( )
2
m( )
N v , v
=
N ( ) v( )
(1)
(1)
( 2)
a
a
=
a 1=
b 1
1)
u(=
1
m( )
Nc(1) u(c1) ,
2)
u( =
2
m( )
=
p
1
m( )
( 2)
2
m( )
1
m( )
=
c
N ( ) p ( ) ,
1
m( )
p =
(6.110)
N ( ) p ( )
2
2
d
2
m( )
N c , c
=
N ( ) c ( )
(1)
(1)
( 2)
a
a
=
a 1=
b 1
1
m( )
=
Nc cc ,
(1)
2
d
2
m( )
1
1
( 2)
c
c
=
c 1=
d 1
(1)
N p , p
=
N ( ) p ( )
(1)
(1)
a
a
=
a 1=
b 1
1)
p (=
2
b
N ( ) u( )
=
c 1=
d 1
(1)
(1)
(1)
( 2)
c =
2
m( )
N ( ) c ( ) .
d =1
c =1
Then,
(1)
(e)
1)
(
ne nint
m
(1)
=
Gc Wk J (1)
(1)
(1)
(1)
=
=
e 1=
k 1
a 1 v
p
c
fa
a
a
a
(1)
wa
(1)
ja
2
mk( )
+ 1
()
(1)
(1)
(1)
b =1 v
p
c
b,k
b,k
b,k
b,k
(1)
wb ,k
(1)
jb ,k
where
f a( ) = N a( )tnn( ) ,
fb(,k) = N b( )tnn( )
wa( ) = N a( ) wn ,
wb( ,k) = N b( ) wn
ja(1) = N a(1) jn ,
jb( 2,k) = N b( 2) jn .
Similarly,
(6.111)
(6.112)
130
( )
1
ne( ) nint
e
D Gc =
Wk J(1)
=e 1 =
k 1
(1)
(1)
m
m
1
(1,1)
()
(1)
(1)
=
a
1
=
c
1
c
v
K ac
a
a
a
(1,1)
g ac
h(1,1)
ac
2
mk( )
+ 1,2
( 2)
( )
d =1 K
0
0 u d
ad , k
(1,2)
2
1,2
( )
0 p d( )
g ad ,k g ad ,k
(1,2)
(1, 2 )
( 2)
0
had
, k cd
h ad ,k
(1)
( 2)
mk
m
+ 2
( 2,1)
( )
( 2)
( 2)
b 1=
=
v b ,k p b ,k cb ,k c 1 K bc ,k
( 2,1)
g bc ,k
h( 2,1)
bc ,k
2
mk( )
+ 2,2
( )
d =1 K
bd , k
( 2,2)
g bd ,k
( 2,2)
hbd ,k
where
0
( 2,2 )
gbd
,k
( 2) ,
0 u d
0 p d( 2)
2,2
2
hbd( ,k ) cd( )
0
(1,1)
g ac
0
gbc( ,k)
2,1
1
0 u(c )
0 p c(1)
hac(1,1) cc(1)
0 u(c1)
0 p c(1)
2,1
1
hbc( ,k) cc( )
(6.113)
131
=
K (ac1,1) N a(1) n N c(1) N (1) + tn A (c1)
K (ad1,2,k) = n N a(1) N d( 2) N (1)
K (bc2,1,k) =
N c(1) n N b( 2) N (1) + tn M (b2) tn N b( 2) A (c1)
)
N ( ) ( N ( )p ( ) w A ( ) n ( ) )
(6.114)
=
K (bd2,2,k) N d( 2) n N b( 2) N (1) + tn M (b2) ,
=
g (ac1,1)
1
a
1
c
1
c
(
N ( ) (
( 2,1)
g bc
N c(1) p N b( 2)p(1) + wnm (b2) + wn N b( 2) A (c1) n(1)
,k =
=
g (bd2,2,k)
(6.115)
(6.116)
( 2,2 )
( 2) ( 2)
gbd
, k = p N b N d ,
=
h(ac1,1) N a(1) c N c(1)q(1) jn A (c1) n(1)
(
)
N ( ) ( N ( )q ( ) j m ( ) ) ,
h(bc2,1,k) =
N c(1) c N b( 2)q(1) + jnm (b2) + jn N b( 2) A (c1) n(1)
h(bd2,2,k)
=
(6.117)
2
b
hac( ) = c N a( ) N c( )
1,1
( )
() (
had
,k = c N a N d
1,2
2)
(6.118)
132
(1)
N=
n(1) n(1)
A (c1)
=
(1)
(1)
1
N c (1) N c (1)
g
g1
2
1
2
(1)
(1)
J
(1)
( 2)
M=
n( 2) m (b2)
b
( 2)
mb
p
(1)
N b( 2)
g
=
(2) ( 2)
(6.119)
p (1)
= g (1)
(1)
q(1) =
c (1)
g .
(1) (1)
(1) and ( 2) . Due to continuity requirements on the traction and fluxes, the external
(i )
virtual work resulting from contact tractions t (i ) , solvent fluxes wn and effective solute fluxes
jn (i ) for solute
G=
c
( v v ) t da
+ ( p ( ) p ( ) ) w( ) da ( )
+ ( c ( ) c ( ) ) j ( ) da ( ) .
(1)
( 2)
(1)
(1)
1
n
(1)
(1)
(1)
(6.120)
In the current implementation, only frictionless contact is taken into consideration, so that the
(i )
(i )
contact traction has only a normal component, t = tnn . To evaluate and linearize
the covariant basis vectors on each surface as
x(i )
=
g(i ) =
, 1, 2 ,
(i )
where x( i ) represents the spatial position of points on
(6.121)
coordinates of that point. The unit outward normal on each surface is then given by
g1( i ) g (2i )
(i )
n = (i ) (i ) .
g1 g 2
Now the contact integral may be rewritten as
Gc , define
(6.122)
133
(
)
+ ( p ( ) p ( ) ) w( ) g ( ) g ( ) d( ) d( )
+ ( c ( ) c ( ) ) j ( ) g ( ) g ( ) d( ) d( ) ,
1
n
(1)
(1)
1
1
1
2
1
1
2
1
1
1
1
2
1
1
(6.123)
2
1
D=
Gc
D G
i =1
u(i ) + D Gc p (i ) + D Gc c (i ) .
(6.124)
The linearization of variables associated with motion, pressure, and concentration, is given by
Dx(1) =
u(1) , Dx( 2) =
u( 2) + g( 2) (2)
Dp (1) =
p (1) , Dp ( 2) =
p ( 2) +
2
p ( )
(2)
( 2)
Dc (1) =
c (1) , Dc ( 2) =
c ( 2) +
2
c ( )
(2)
( 2)
v ( )
(2)
( 2)
(6.126)
D=
v (1) 0,
Dv ( 2)
=
D p (1) =0,
D=
p ( 2)
2
p ( )
(2)
( 2)
D c (1) =0,
D=
c ( 2)
2
c ( )
(2) ,
( 2)
where
1
2
1
1
(2) = u( ) u( ) a g ( ) a gn( )
u(1)
(1)
(6.127)
= g( ) g ( ) .
with a = ( A ) and A
1
g0
0
where
tn . Similarly, let
(6.128)
134
wn =
p =
p p (1) p ( 2) ,
(i )
tn < 0
(6.129)
=
p
p=
,
tn 0
*
and
jn =
c =
c c (1) c ( 2) , tn < 0
(6.130)
*
,
c (i ) c=
tn 0 ,
=
where p and
follows that
(1)
(1)
, respectively. It
Dt=
n u( ) u( ) + g( ) (2) n( )
n
2
(1)
( 2)
( 2 ) p
Dw
p
p
n
p
( 2)
2
(
)
(6.131)
2
(1)
c ( )
( 2)
Dj=
c
c
n
c
( 2)
2
( )
j=
jn + z jn
n
(6.132)
so that
(1)
(1)
c ( 2)
c ( 2)
( 2)
( 2)
(6.133)
Dj=
c
c
z
c
c
.
n
c
c
( 2)
( 2)
2
2
( )
( )
Given these relations, it can be shown that the directional derivatives of the various terms
( (
D tn v ( ) v (
1
2)
Gc
are
()
) g( ) g=
)
1
1
1
2
J( ) n v ( ) v (
1
v ( )
2
1
2
J tn
n( ) g( 2) u( ) u( )
( 2)
(1)
+t n v ( ) v (
1
( (
2)
)(
2)
) (n( ) n( ) ) ( u( ) u( ) )
(1)
1 u(1)
(1) u
,
g (2 )
g
1
1
2
(1)
(1)
(6.134)
)(
1
2
p ( )
p ( )
+ J(1) p p (1) p ( 2)
g
+
g ( 2) u(1) u( 2)
w
n
(1)
( 2)
(1)
(1)
1 u(1)
1
2
1
(1) u
,
g
+ wn p ( ) p ( ) n( ) g (2 )
1
1
2
(1)
(1)
(6.135)
135
( (
c (1)
c (1) (1)
1
2
+ J(1) c c (1) c ( 2) g(1) + z
g u( ) u( )
(1)
(1)
c (1) (1)
g u(1) u( 2)
jn
(1)
(1)
+ J
(6.136)
(1)
u(1)
(1) u
1
2
1
(1)
(1)
(1)
where J=
g1(1) g (21) .
6.6.4. Discretization
The contact integral may be discretized as
()
1
ne( ) nint
e
=
Gc
W J( ) t ( v( ) v( ) ) n( ) + w ( p ( ) p ( ) ) + j ( c ( ) c ( ) ) .
k 1
=e 1 =
(6.137)
=
v
1
m( )
2
m( )
N v , v
=
N ( ) v( )
(1)
(1)
( 2)
a
a
=
a 1=
b 1
(1)
u =
1
m( )
(1)
(1)
u ,
( 2)
u =
2
m( )
p
=
1
m( )
(1)
( 2)
2
m( )
1
m( )
c (1)
=
N ( ) p ( ) ,
1
m( )
p =
(6.138)
2
2
d
2
m( )
1
2
N a ca ( ) , c ( )
=
N ( ) c ( )
1
m( )
2
m( )
(1)
=
Nc cc , c =
(1)
(1)
( 2)
N ( ) c ( ) .
=
c 1=
d 1
Then,
N ( ) p ( )
=
a 1=
b 1
(1)
2
d
2
m( )
1
1
( 2)
c
c
=
c 1=
d 1
1
N p , p
=
N ( ) p ( )
(1)
a
a
=
a 1=
b 1
)
p (=
2
b
N ( ) u( )
c
c
=
c 1=
d 1
(1)
Gc
136
(e)
m(1)
1)
(
ne nint
(1)
Wk J v (a1)
=a 1
=
e 1=
k 1
2
m( )
+ v b( 2)
b =1
where
Similarly,
(1)
fa
(1)
wa
(1)
ja
j (1)
a
p b( 2) cb ( 2)
( 2)
cb ( 2) ,
fb , k
( 2)
wb ,k
( 2)
jb ,k
j ( 2)
b ,k
f a(1) = tn N a(1)n(1) ,
fb(,2k) = tn N b( 2)n(1) ,
wa(1) = wn N a(1) ,
wb( 2,k) = wn N b( 2) ,
ja (1) = jn N a(1) ,
jb,(k2) = jn N b( 2) .
(6.139)
(6.140)
137
( )
1
ne( ) nint
e
D Gc =
Wk J(1)
=e 1 =
k 1
m(1)
m(1)
(1)
(1)
(1)
(1)
v a p a ca
ca (1,1)
c 1
a 1=
K ac
g (1,1)
ac
hac(1,1)
(1,1)
h ac
2
mk( )
+ 1,2
( )
d =1 K
ad , k
(1,2)
g ad ,k
(1,2)
h ad ,k
h (1,2)
ad ,k
(1,2 )
g ad
,k
had ,k(
1,2 )
had ,k(
1,2 )
+ 2,2
( )
d =1 K
bd , k
( 2,2)
g bd ,k
( 2,2)
hbd ,k
h ( 2,2)
bd , k
( 2,2 )
gbd
,k
0
( 2,2 )
hbd ,k
hbd ,k(
2,2 )
(1,1)
g ac
0
(1,1)
hac
hac
(1,1)
0 u(c1)
0 p c(1)
( 2)
0 u d
2
0 p d( )
1,2
2
had ,(k ) cd ( )
1,2
2
had ,(k ) cd ( )
m(1)
( 2)
mk
( 2)
( 2)
2)
2)
(
(
+ v b ,k p b ,k cb ,k cb ,k 2,1
( )
b 1=
c 1 K bc ,k
g ( 2,1)
bc ,k
)
hbc(,2,1
k
( 2,1)
hbc
,k
2
mk( )
gbc( 2,1,k)
hbc,k( 2,1)
hbc ,k(
( 2) ,
0 u d
0 p d( 2)
( 2,2 )
( 2)
hbd ,k cd
2,2
2
hbd ,k( ) cd ( )
2,1)
(1)
u c
1
0 p c( )
(6.141)
138
1,2
1
2
1
K (ad ,k) =
n N a( ) N d( ) N ( ) ,
1,1
N a(1) n N c(1) N (1) + tn A (c1) ,
K (ac ) =
K (bc ,k) =
N c( ) n N b( ) N ( ) + tn M (b ) tn N b( ) A (c ) ,
2,1
(
)
N ( ) (
=
2,2
N a( ) p N c( )p( ) wn A (c ) n( ) ,
g (ac ) =
1,1
( 2,1
1
c
g bc ,k
( 2 ) (1)
( 2)
N b p + wnm b
(6.142)
),
(6.143)
N d( ) n N b( ) N ( ) + tn M (b ) ,
K (bd ,k) =
g (ad ,k) =
p N a( ) N d( )p( ) ,
1,2
)+w N
n
( 2)
b
(1)
(1)
( 2,2 )
( 2)
Nd
A c n , g bd ,k =
( 2 ) (1)
( 2)
N b p wn m b
( )
( )
g ac
g ad
p N a( ) N d( ) ,
=
p N a( ) N c( ) ,
,k =
1,1
1,2
gbc( ,k) = p N b( ) N c( ) ,
2,1
h ac(
1,1)
2,2
h(
(
)
N ( ) ( N ( ) q ( ) + A ( ) j n( ) ) + N ( ) j m ( ) , h (
2
1
c
1
c
1,2 )
ad , k
1
c
(6.144)
( )
( ) ( )
gbd
, k = p N b N d ,
hbc( ,k ) =
2,1
2
b
2,2 )
bd , k
1
2
1
=
N a( ) N d( ) c q ( ) ,
= N b( ) N d( ) c q
2
(1)
2
2
N d( ) jn m(b ) ,
c (1 + z ) N a(1) N c(1) ,
hac (1,1) =
c z N a(1) N c(1) ,
hac (1,1) =
c (1 + z ) N a( ) N d( ) ,
had (,k ) =
had ,(k
c (1 + z ) N b( 2) N c(1) ,
hbc ,(k2,1) =
c z N b( 2) N c(1) ,
hbc ,k( 2,1) =
c (1 + z ) N b( 2) N d( 2) ,
hbd ,(k2,2) =
c z N b( 2) N d( 2) ,
hbd ,k( 2,2) =
1,2
1,2 )
=
c z N a( ) N d( ) ,
1
(6.145)
(6.146)
and
(1)
(1)
(1)
N =
n n ,
M (b2) =
n( 2) m (b2) ,
p(1)
=
(1)
N b( 2)
m (b2) =
g ,
(2) ( 2)
(6.147)
(1)
(1)
p
c
g(1) ,
q (1)
g(1) ,
=
(1)
(1)
(1)
q=
q (1) + z q (1) .
139
(6.148)
This definition is similar to that of the sliding interface, except that now the projection is done in
the material reference frame. This implies that the projection only needs to be calculated once, at
the beginning of the analysis. We can now proceed to the definition of the gap function.
(6.149)
g ( X ) (1) ( X ) ( 2) ( Y ( X ) ) .
=
An important observation is that the gap function is now a vector quantity since the gap needs to
be closed in all direction, not just the normal direction as is the case in sliding contact.
T gd .
(6.150)
Here, T is the reaction force that enforces the constraint g ( X ) = 0 . Since we anticipate the use
of an augmented Lagrangian formalism, we can write this reaction force as follows.
T= + g .
(6.151)
Where
and
1
2
=
g w( ) w( )
g = ( ) ( X ) (
1
2)
( Y ( X)) .
(6.153)
(6.154)
140
(i )
(i )
6.7.4. Discretization
The contact integral (6.150) can be discretized as follows. First, we split the integration over all
the slave surface elements.
nel
T gd ( ) .
W
=
t
(6.155)
e =1 ( e )
c
(e)
nel Nint
w j ( ) T ( ) g ( ) .
i
=
e 1 =i 1
(6.156)
w(
2)
(i ) = N j (i ) c(j2) .
(6.157)
so that,
1
2
g (=
c(i ) N j (i ) c(j ) .
i)
(6.158)
We can now write the contact integral (6.155) in its final form,
(e)
nel Nint
w j ( ) ( N ( ) T ( ) ) ,
(6.159)
(6.160)
=
Wt
=
e 1 =i 1
where
N (i ) =
[I, N1 , , N n ] ,
(6.161)
and
Ni
N i = 0
0
0
Ni
0
0
0 .
N i
(6.162)
For the linearized tied contact integral (6.152), a similar discretization procedure leads to,
=
Wt
(e)
nel Nint
w j ( ) K ,
i
=
e 1 =i 1
(6.163)
141
where
K c = NT N .
(6.164)
( 2)
()
( )
()
()
( v v ) t da
+ ( p ( ) p ( ) ) w( ) da ( ) .
(1)
(1)
1
n
(6.165)
(6.166)
coordinates of that point. The unit outward normal on each surface is then given by
g(i ) g(i )
n( i ) = 1( i ) (2i ) .
g1 g 2
(6.167)
(
)
+ ( p ( ) p ( ) ) w
(1)
(1)
D=
Gc
D G
i =1
(6.168)
u(i ) + D Gc p (i ) .
(6.169)
=
g x( 2) x(1) .
(6.170)
The premise of a tied interface is that the parametric coordinates of x and x
are both
invariants (i.e., they are determined in the reference configuration and remain unchanged over
(1)
( 2)
142
of x( 2 ) are evaluated once, in the reference configuration, by shooting a ray from the integration
point on
1
u(1) , Dx( 2) =
u( 2) ,
Dx( ) =
p ( ) , Dp ( ) =
p ( ) ,
Dp ( ) =
1
(6.171)
=
,
D v ( ) 0=
D v ( ) 0,
1
D p ( ) =0,
D p ( ) = 0 ,
t = ng ,
where
(6.172)
=
wn =
p p( ) p(
p
where
2)
),
(6.173)
(
)
( p( ) p( ) ) .
D=
t n u( 2) u(1) ,
Dw=
p
n
(6.174)
Given these relations, it can be shown that the directional derivatives of the various terms
appearing in the integrand of
( (
Gc
are
) ) (
1
(1) (6.175)
u( )
(1)
(1) u
+ v (1) v ( 2) t g1(1) n(1)
2
(21)
(11)
( (
) )
) ( p( ) p( ) )
1
(1)
u(1)
(1) u
,
+ wn p (1) p ( 2) n(1) g (21)
g
1
1
2
1
1
()
()
1
1
(1)
where J=
g1( ) g (2 ) .
(6.176)
6.8.4. Discretization
The contact integral may be discretized as
( )
1
ne( ) nint
e
=
Gc
W J( ) ( v( ) v( ) ) t + w ( p( ) p( ) ) .
=
e 1=
k 1
(6.177)
143
(1)
=
v
1
m( )
2
m( )
N v , v
=
N ( ) v( )
(1)
(1)
( 2)
a
a
=
a 1=
b 1
(1)
u =
1
m( )
(1)
(1)
u ,
( 2)
u =
2
m( )
N ( ) u( )
2
c
c
=c 1 =
d 1
(1)
p
=
1
m( )
2
m( )
(1)
( 2)
a
a
=
a 1=
b 1
(1)
p =
1
m( )
(1)
(1)
p ,
( 2)
p =
2
d
( 2)
( 2)
(6.178)
N p , p
=
N
(1)
2
b
2
m( )
pb
N ( ) p( ) .
c
c
=c 1 =
d 1
2
d
Then,
1
(e)
1
ne( ) nint
m( )
(1)
=
Gc Wk J (1)
=
e 1=
k 1
=a 1 v a
2
mk( )
+ 1
()
b =1 v
b,k
pa(1) f a(1)
(1)
wa
pb(1,k) fb(1,k)
(1)
wb ,k
(6.179)
where
f a( ) = N a( ) t,
fb(,k) = N b( ) t
wa( ) = N a( ) wn ,
wb( ,k) = N b( ) wn .
Similarly,
(6.180)
144
( )
1
ne( ) nint
e
D Gc =
Wk J(1)
=
e 1=
k 1
1
m(1)
m( )
1
(1,1)
()
(1)
=
a 1=
v a pa c 1 K ac
(1,1)
k ac
2
mk( )
+ 1,2
( )
d =1 K
ad , k
0 u(c1)
kac(1,1) pc(1)
( 2)
0 u d
(1,2 )
( 2)
kad
pd
,k
2
mk( )
m(1)
+ 2
( 2,1)
( )
( 2)
b 1=
=
v b ,k pb ,k c 1 K bc ,k
( 2,1)
k bc ,k
2
mk( )
+ 2,2
( )
d =1 K
bd , k
0 u(c1)
( 2) ,
0 u d
where
K (ac1,1) = N a( ) n N c( ) I + t a(c )
1
K (ad1,2,k) = n N a(1) N d( 2) I
( 2,1)
(6.181)
( 2)
K bc , k = N b
( N
n
(1)
c
(1)
I + t ac
(6.182)
( 2,2 )
( 2) ( 2)
K bd
,k = n Nb N d I ,
(6.183)
and
(6.184)
145
1
(1)
1 (1) (1) N c( )
(1) N c
.
a c = (1) n g 2
g1
1
2
J
1
1
(
)
(
)
(1)
(6.185)
146
Chapter 7. Dynamics
FEBio can perform a nonlinear dynamic analysis by iteratively solving the following nonlinear
semi-discrete finite element equations [REF BATHE].
k + Kd k= T k F
Md
n +1
n +1
n +1
(7.1)
k
d=
d kn +11 + d k
n +1
Here, M is the mass matrix, K the stiffness matrix, T the internal force (stress) vector and F the
externally applied loads. The upperscript index k refers to the iteration number, the subscript n
refers to the time increment. The trapezoidal (or midpoint) rule is used to perform the time
integration. This results in the following approximations for the displacement and velocity
updates.
h
( dn + d n+1 )
2
h
d n +1 =
d n + ( d
n + d n +1 )
2
(7.2)
4 k 1
4
d d n + d k ) d n d
n
2 ( n +1
h
h
(7.3)
d n +1 =
dn +
.
Using (7.2) we can solve for d
n+1
k
=
d
n +1
Substituting this into equation (7.1) results in the following linear system of equations.
4
4
k
4 k 1
k
2 M + K d = Tn +1 Fn +1 M 2 ( d n +1 d n ) d n d n
h
h
(7.4)
k
Solving this equation for d k and using (7.1) gives the new displacement vector d n+1 . The
k can then be found from (7.3) and the velocity vector d k from(7.3).
acceleration vector d
n+1
n+1
This algorithm is repeated until convergence is reached.
147
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