Return Mapping Algorithms and Consistent Tangent Operators in Ferroelectroelasticity

INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING
Int. J. Numer. Meth. Engng 2010; 81:12981340

Published online 30 September 2009 in Wiley InterScience (www.interscience.wiley.com). DOI: 10.1002/nme.2728
Return mapping algorithms and consistent tangent operators in
ferroelectroelasticity
Artem S. Semenov
,
, Albrecht C. Liskowsky and Herbert Balke
TU Dresden, Institut f ur Festk orpermechanik, Mommsenstr. 13, Dresden 01069, Germany
SUMMARY
Return mapping algorithms for a rather general class of phenomenological rate-independent models
for ferroelectroelastic materials are presented. The fully coupled thermodynamically consistent three-
dimensional constitutive model with two internal variables (remanent polarization vector and remanent
strain tensor) proposed by C. M. Landis in 2002 is used for the simulation of electromechanical hysteresis
effects in polycrystalline ferroelectric ceramics. Based on the operator splitting methodology, the return
mapping algorithm employs the closest point projection scheme to obtain an efcient and robust integration
of the constitutive model. The consistent tangent operator is obtained in closed form by linearizing the
return mapping algorithm, and is found to be non-symmetric in the general case due to the dependence of
the switching criterion on internal variables. Conditions that provide the symmetry of the consistent tangent
matrix are analyzed. The compactness and generality of the received relations are achieved by means of
using the thermodynamically based compact notations combining mechanical and electrical values. Both
the cases scalar potential nite element (FE) formulation (primary variables: strain and electric eld) and
vector potential FE formulation (primary variables: strain and electric displacement) are considered. The
accuracy and robustness of the algorithms are assessed through numerical examples. Copyright q 2009
John Wiley & Sons, Ltd.
Received 23 January 2009; Revised 23 April 2009; Accepted 9 July 2009
KEY WORDS: electromechanical; piezoelectric; integration; return mapping algorithms; consistent tangent
operators; nite element methods
1. INTRODUCTION
Ferroelectroelastic materials, due to their coupling behavior between electric and mechanical elds,
are extensively used as actuators and sensors in smart structure applications. Such materials exhibit
nonlinear behavior when they are subjected to high electromechanical loadings. The nonlinearities
Correspondence to: Artem S. Semenov, TU Dresden, Institut f ur Festk orpermechanik, Mommsenstr. 13, Dresden
01069, Germany.
E-mail: semenov.artem@googlemail.com
Contract/grant sponsor: German Research Foundation (DFG)
Copyright q 2009 John Wiley & Sons, Ltd.
RETURN MAPPING ALGORITHMS AND CONSISTENT TANGENT OPERATORS 1299
occur due to switching effects of the single crystals, where atoms change from one possible position
to another. Remanent polarization and remanent strain can remain in the material after unloading.
Thus, ferroelectroelastic materials are piezoelectrics in which the remanent polarization and strain
can be altered by external loadings. The application of piezoelectric materials involves rigorous
loading and complicated geometry of the components and input signals may be quite large. For the
simulation of the device performance and for life prediction of components, nonlinear constitutive
laws are required that are capable of modeling the switching in a reliable manner. Recently, a wide
range of phenomenological models has been proposed [18].
The constitutive equations of ferroelectroelastic materials can be understood as a set of
differential-algebraic equations (DAE). Owing to the switching condition, the differential equations
for the evolution of internal variables (remanent polarization and remanent strain) are unilaterally
constrained by some nonlinear equations. Moreover, the system of differential equations is
typically stiff. Therefore, implicit integration methods should be used.
The similarity of material behavior and mathematical structure of constitutive equations
between ferroelectroelastic and elastoplastic materials points out the possibility to apply some
well-developed methods of computational plasticity to the solution of ferroelectroelastic problems.
However, some differences arise:
the nature of internal variables (vectors along with tensors);
the dependence of material moduli on internal variables;
the dependence of switching conditions on internal variables along with internal forces;
the special type of hardening due to polarization/strain saturation (lock up) phenomena.
The mentioned differences cause the specicity of integration methods discussed in this paper.
Return mapping algorithms [921] represent a well-established integration scheme to integrate
nonlinear constitutive equations of evolution type with constraints. Switching (yield) conditions are
the mentioned constraints, which are satised by the projection of the trial state onto the switching
surface. Because of this interpretation, the method is called return mapping. A return mapping
algorithm can be conveniently dened based on the operator split methodology [1416, 22, 23]. In
this process, the linear electroelastic trial predictor is obtained rst and this forms the initial condi-
tion for the ferroelectroelastic corrector. Mathematically, the return mapping algorithm presents
a one-step [14] or multi-step [15] implicit integration scheme combined with a subsequent local
NewtonRaphson iterative procedure.
Return mapping algorithms generalize and unify a number of existing algorithmic schemes
initially proposed in the form of a radial return algorithm by Wilkins [9] as well as Maenchen
and Sacks [10] for perfect plasticity with von Mises yield criterion. Later it was extended to take
into account linear hardening by Krieg and Key [11] and nonlinear hardening by Simo and Taylor
[12]. In order to handle criteria other than the von Mises criterion, Ortiz et al. [13] proposed
the closest point algorithm as a generalization of the radial return algorithm to arbitrary convex
yield functions. Examples of return mapping applications in ferroelectroelastic problems for some
special forms of constitutive equations are given in [8, 24]. Comprehensive reviews for the plastic
problem can be found in the monographs [1418].
In order to achieve a quadratic rate of convergence of the NewtonRaphson method for the
solution of nonlinear nite element (FE) equations, tangent moduli consistent with the stress
calculation algorithm should be used for the global stiffness matrix computation. This necessitates
the calculation of the consistent tangent operator, which is the G ateaux derivative of the stress,
calculated from implicit integration, with respect to the strain increment. The consistent tangent
Copyright q 2009 John Wiley & Sons, Ltd. Int. J. Numer. Meth. Engng 2010; 81:12981340
DOI: 10.1002/nme
1300 A. S. SEMENOV, A. C. LISKOWSKY AND H. BALKE
moduli are obtained essentially by enforcing the consistency condition on the discrete algorithmic
problem. The consistent (or algorithmic) tangent moduli are strongly dependent on the choice of
the stress update procedure. They can be obtained by performing exact linearization of the stress
update algorithm. One of the advantages of the return mapping algorithm is the possibility to
evaluate the consistent tangent operators in closed form.
The notion of consistent tangent moduli was introduced in computational mechanics in [25].
A general local integration algorithm and the corresponding consistent tangent modulus for rate-
independent plasticity were considered by Simo and Taylor [12], Ortiz and Martin [26], Simo and
Hughes [14] and others.
The consistent ferroelectroelastic tangent operator is here found to be non-symmetric in the
general case for arbitrary switching criteria. Systematic analysis of conditions providing symmetry
of the consistent tangent matrix has been performed.
Compact notations combining mechanical and electrical values are introduced and used
throughout the paper. It allows bulky expressions to be avoided for nding and analyzing the
properties of the considered algorithms and consistent tangent matrixes. The introduced notations
are based on a thermodynamic consideration and make it possible to easily expand the considered
material models without changing the structures of the resulting equations. The proposed notations
also enable us to better trace the analogy between ferroelectroelasticity and plasticity.
The return mapping algorithms and consistent tangent matrixes will be presented below for
both the classical scalar potential FE formulation [27, 28] and the newly proposed vector potential
formulation [29, 30]. The concluding numerical examples illustrate the accuracy and effectiveness
of the suggested algorithms for both formulations.
2. SCALAR AND VECTOR POTENTIAL VARIATIONAL FORMULATIONS
In order to make clear the motivation for the introduction of the scalar and vector potential, we
consider their relation to the electric eld intensity and the electric displacement, respectively.
The Maxwell equations to be satised in electrostatics or static electromechanical problems with
a vanishing volume density of free charges are [31]:
E=0, D=0 (1)
There are two formulations with different choices of primary electric variables:
1. The electric eld intensity E is expressed by the electric scalar potential [:
E=[ (2s)
so that Faradays law E=[0 is satised automatically. The Maxwell equations
in electrostatics for linear homogeneous isotropic material reduce to
[=0 (3s)
2. The electric displacement D is expressed by the electric vector potential w:
D=w (2v)
DOI: 10.1002/nme
so that Gausss law D=(w)0 is satised automatically. The Maxwell equations
in electrostatics for linear homogeneous isotropic material reduce to
(w)=0 (3v)
Equations dening scalar and vector potentials nd their counterparts in the FE analysis of
coupled electromechanical problems with corresponding choices of the electric nodal variables
using [ in the standard scalar potential formulation [27] and w in the recently proposed vector
potential formulation [29].
In the standard approach in piezoelectricity, the electric eld is expressed by the scalar potential
[27], and the variational formulation is written as
_
V
(roeDoE)dV =
_
V
f
V
oudV +
_
S
(nrou+nDo[)dS (4s)
In this case, the displacement u and the scalar potential [ are the basic variables, oe=(ou)
S
and oE=o[. The scalar potential formulation for piezoelectric material requires constitutive
equations expressing the stress r and electric displacement D through the strain e and electric eld
intensity E.
In the alternative approach, the electric displacement is expressed by the vector potential [29, 30].
The principle of virtual work can be stated in the form
_
V
(roe+EoD)dV =
_
V
f
V
oudV +
_
S
(nrou+nEow)dS (4v)
where oD=ow, as now the components of the vector potential are the basic electric vari-
ables. The vector potential formulation for piezoelectric material requires constitutive equations
expressing the stress r and electric eld intensity E through the strain e and electric displace-
ment D.
From the thermodynamic point of view, the electric displacement D (and w, respectively) as
well as the strain e (and the displacement u, respectively) represent generalized thermodynamic
displacements, while the electric eld E (and [, respectively) and the mechanical stress r represent
generalized thermodynamic forces. Therefore, the variational formulation of coupled electrome-
chanical problems using the scalar potential [ is based on the variation of a mixed thermodynamic
potentialenergy in the mechanical sense, but enthalpy in the electrical sense. Hence, in the
context of the FE method, using the scalar potential leads to a non-denite stiffness matrix and the
solution of a boundary value problem corresponds to a saddle point of the potential as a function
of u and [. In opposite to this, the variational formulation making use of the vector potential
w is based on the balance of pure electromechanical energy variation and external virtual work
variation. Therefore, in the context of the FE method, using the vector potential leads to a positive
denite stiffness matrix such that the solution of the boundary value problem lies in an actual
minimum of the potential in the space of the nodal degrees of freedom u and w. This differ-
ence favors the electric vector potential especially for the solution of nonlinear electromechanical
problems.
The disadvantage of the vector potential formulation is an increase in the number of nodal degrees
of freedom for three-dimensional problems (six in comparison with four for the scalar potential
formulation). However, this increase can be compensated by the higher rate of convergence of the
iteration procedures for nonlinear FE analyses.
DOI: 10.1002/nme
Constitutive equations for piezoelectric materials at constant temperature below the Curie point
can be specied by
ee
r
=
4
S
E
r+E
3
d
DP
r
=
3
dr+j
o
E
(5)
where
4
S
E
is the fourth rank tensor of the elastic compliance at constant electric eld,
3
d is the
third rank tensor of piezoelectric coefcients, and j
o
is the second rank tensor of the dielectric
permittivity at constant stress; the internal state variables e
r
and P
r
are the remanent strain and
polarization. The internal variables are supposed to be constants for linear piezoelectric materials,
whereas they are variable and dependent on the history of loading for ferroelectroelastic materials.
The evolution equations for e
r
and P
r
for ferroelectroelastic material and substantiation of (5) will
be given in the next section.
The application of the scalar potential formulation requires the partial inverse form of the
constitutive equations (5):
r =
4
C
E
(ee
r
)E
3
e
DP
r
=
3
e(ee
r
)+j
E
(5s)
as well as the vector potential formulation requires the fully inverse form of (5)
r =
4
C
D
(ee
r
)(DP
r
)
3
h
E =
3
h(ee
r
)+b
(DP
r
)
(5v)
where the fourth rank tensors
4
C
D
and
4
C
E
, the third rank tensors
3
h and
3
e, and the second rank
tensors b
and j
are material tensors characterizing mechanical stiffness, piezoelectricity, and

dielectric moduli, respectively. The constitutive equations (5), (5s), and (5v) are equivalent and can
be converted into each other by linear transformations. The chain formula for the transformation
of the material moduli introduced above is as follows:
4
C
E
=
4
S
E
1
3
e =
3
d
4
C
E
k
= k
o
3
d
3
e
T
b
= k
1
3
h = b
3
e
4
C
D
=
4
C
E
+
3
e
T
3
h
(6)
A summary of the two formulations in comparison is given in Table I.
The return mapping algorithms and consistent tangent matrixes will be presented below for both
formulations.
DOI: 10.1002/nme
Table I. Scalar and vector potential formulations.
Scalar potential formulation Vector potential formulation
Generic thermodynamic potential Electric enthalpy H =H(e, E, . . .) Free energy T=T(e, D, . . .)
Primary variables e, E e, D
Secondary variables r, D r, E
Varied variables u, [ u, w
Degree of freedom per node
2D 3 (u
x
, u
y
, [) 3 (u
x
, u
y
,
z
)
3D 4 (u
x
, u
y
, u
z
, [) 6 (u
x
, u
y
, u
z
,
x
,
y
,
z
)
Stiffness matrix Non-positive denite Positive denite
3. CONSTITUTIVE EQUATIONS OF FERROELECTROELASTICITY
3.1. Standard notation
The general macroscopic phenomenological model for ferroelectroelastic polycrystalline materials
proposed by Landis in [5] is considered. Two potentials are required for the description of consti-
tutive equations. The Helmholtz free energy T(e, D, e
r
, P
r
) is introduced as a sum of the reversible
(or stored) part T
s
(e, D, e
r
, P
r
) and the contribution from internal variables T
r
(e
r
, P
r
) for the
description of saturation and hardening effects [1, 5, 32, 33]:
T=T
s
(e, D, e
r
, P
r
)+T
r
(e
r
, P
r
) (7)
Assuming linear piezoelectric response, the rst term in (7) is dened as
T
s
=
1
2
(ee
r
)
4
C
D
(ee
r
)(DP
r
)
3
h(ee
r
)+
1
2
(DP
r
)b
(DP
r
) (8)
where material moduli
4
C
D
,
3
h, b
can depend on internal variables e

r
and P
r
. In order to avoid
bulky expressions, the symbol *
x
f will be used below for the notation of partial derivation * f /*x.
Therewith, the stress tensor r and the electric eld vector E are derived from the free energy as
r = *
e
T=
4
C
D
(ee
r
)(DP
r
)
3
h
E = *
D
T=
3
h(ee
r
)+b
(DP
r
)
(9)
Equations (9) are used for the vector potential formulation. Alternative expressions, appropriate
for the scalar potential formulation, can be derived by introducing the electric enthalpy/mechanical
free energy function H(e, E, e
r
, P
r
), which is dened by the Legendre transform
H(e, E, e
r
, P
r
)=T(e, D, e
r
, P
r
)ED
The partial derivatives of the introduced function with respect to the strain tensor and the electric
eld vector using (6) lead to the constitutive equations
r = *
e
H =
4
C
E
(ee
r
)E
3
e
D = *
E
H =
3
e(ee
r
)+j
E+P
r
(10)
for the stresses and electric displacements, respectively.
DOI: 10.1002/nme
The associated switching rule is used for the computation of the internal variables
e
r
= z*
r
1
P
r
= z*
E
1
(11)
with the non-negative ferroelectroelastic multiplier z and the ferroelectroelastic potential 1
appearing also in the switching condition
1( r,

E, e
r
, P
r
)=0 (12)
where r,

E are the relative stress and the relative electric eld correspondingly, dened as the
difference between the total values and the back stress and back electric eld. Examples of switching
criteria are [5, 34]
1( r,

E, P
r
)=
E

E
E
2
0
+
3 s s
2o
2
0
+[
E sP
r
E
0
o
0
P
0
1=0 (13)
and [1, 5, 6]
1(
E)=

E

EE
2
0
=0 (14)
Time differentiation of (9) and substituting the rate of the internal variables by the help of (11)
lead to the rate form of the inverted constitutive equations (9), allowing for the denition of the
tangent moduli [5]
e =
_
4
S
E
+
1
D
e e
_
r+

E
_
3
d+
1
D
P e
_
D =
_
3
d+
1
D
P e
_
r+
_
j
o
+
1
D
P
_

E
(15)
with the non-zero denominator:
D =*
r
1(
4
H
m
4
U
m
)*
r
1+2*
E
1(
3
H
em
3
U
em
)*
r
1+*
E
1(H
e
U
e
)*
E
1
*
e
r 1*
r
1*
P
r 1*
E
1 (16)
tensors depending on the normal to a switching surface:
e = (
4
I+
4
A
)*
r
1+*
E
1
3
A
P
P =
3
A
P
*
r
1+(1+A
PP
)*
E
1
(17)
hardening tensors:
4
H
m
= *
2
e
r
e
r T
r
3
H
em
= *
2
P
r
e
r T
r
H
e
= *
2
P
r
P
r T
r
(18)
DOI: 10.1002/nme
tensors characterizing the dependence of material tensors from internal variables:
U
m
ijkl
=
1
2
*
2
r
ij
r
kl
s
E
pqrs
o
pq
o
rs
+*
2
r
ij
r
kl
d
qrs
E
q
o
rs
+
1
2
*
2
r
ij
r
kl
o
pq
E
p
E
q
U
em
kij
=
1
2
*
2
P
r
k

r
ij
s
E
pqrs
o
pq
o
rs
+*
2
P
r
k

r
ij
d
qrs
E
q
o
rs
+
1
2
*
2
P
r
k

r
ij
o
pq
E
p
E
q
U
e
ij
=
1
2
*
2
P
r
i
P
r
j
s
E
pqrs
o
pq
o
rs
+*
2
P
r
i
P
r
j
d
qrs
E
q
o
rs
+
1
2
*
2
P
r
i
P
r
j
o
pq
E
p
E
q
(19)
and:
A
ijkl
= *
r
kl
s
E
pqij
o
pq
+*
r
kl
d
qij
E
q
A
P
kij
= *
P
r
k
s
E
pqij
o
pq
+*
P
r
k
d
qij
E
q
A
P
kij
= *
r
ij
d
krs
o
rs
+*
r
ij
o
kq
E
q
A
PP
ij
= *
P
r
j
d
irs
o
rs
+*
P
r
j

o
iq
E
q
(20)
The application of the vector potential formulation requires the inverse rate form of the consti-
tutive equations (15) [35]:
r =
_
4
C
D
1
F
r
_
e

D
_
3
h+
1
F
r
_
E =
_
3
h+
1
F
r
_
e+
_
b
1
F
E
_

D
(21)
where we introduced the following notations:
r =
4
C
D
e

P
3
h
E =
3
h e+b

P
F = D+
r e+
E

P
(22)
There are strain and electric displacement driven processes in which e and D are basic independent
variables.
The application of the scalar potential formulation requires the partial inverse form of the
constitutive equations (15) [35]:
r =
_
4
C
E
1
G
r
_
e

E
_
3
e+
1
G
r
_
D =
_
3
e+
1
G
r
_
e+
_
j
+
1
G
P
_

E
(23)
with the notations
r =
4
C
E
e
P =

P
3
e e
G = D+
r e
(24)
There are strain and electric eld driven processes in which e and E are basic independent variables.
DOI: 10.1002/nme
3.2. Alternative (compact) notation
For our subsequent algorithmic analysis it proves convenient to introduce the following compact
notation combining a tensor and a vector as components of one symbolic vector (see details for
example [20]). Set
R=
_
r
E
_
, C=
_
e
D
_
, C
r
=
_
e
r
P
r
_
, *
R
1=
_
*
o
1
*

E
1
_
, *
C
r
1=
_
*
r 1
*
P
r 1
_
(25)
With this at hand, the Helmholtz free energy (7) and (8) is rewritten as
T=
1
2
(CC
r
)G(CC
r
)+T
r
(C
r
) (26)
where the extended moduli G(C
r
) are dened by the expression
G=
_
4
C
D
3
h
T
3
h b
_
=
_
*
2
ee
T *
2
eD
T
*
2
De
T *
2
DD
T
_
=*
2
CC
T (27)
Assume that the matrix G is positive denite:
CGC>0 for C=0 (28)
That is equivalent to postulating convexity of T(C). An inversion of G is dened by the relation
G
1
=
_
4
S
E 3
d
T
3
d j
o
_
(29)
Disregarding thermal effects, the second law of thermodynamics yields
o=R

C

T0 (30)
The evaluation of dissipation inequality leads to the expression
o=(R*
C
T)

C*
C
r
T

C
r
0 (31)
wherein thermodynamic forces and thermodynamic uxes can be identied. This inequality has
to be fullled for all possible thermodynamic processes. Thus, we obtain the following constitu-
tive equation:
R=*
C
T=G(CC
r
) (32)
which is the same as (9). Introduction of internal thermodynamic forces conjugate to the internal
variables
R=*
C
r
T (33)
leads to the reduced dissipation equation
o=

R

C
r
0 (34)
Substitution of the expression for the free energy (26) into (33) leads to the decomposition
R=RR
B
+

R (35)
DOI: 10.1002/nme
where the introduced notations are dened by the relations
R+

R=*
C
r
T
s
(36)
R
B
=*
C
r
T
r
(37)
R=
1
2
RR*
C
r
G
1
(38)
The derivation of (38) is based on use of (26), (32), (33). The appearance of contraction (inner
product) in (38) should be understood as

i
=
1
2
j
*
C
r
i
G
1
jk
.
The switching surface (12) is dened by the smooth convex function
1(
R, C
r
)=0 (39)
Equality in (39) takes place only for irreversible processes owning to domain switching, while 1<0
holds for reversible processes with linear material response. The condition 1>0 is not allowed.
Applying the principle of maximum remanent dissipation introduces the Lagrangian functional
L(
R, z)=o(
R)+z1(
R) (40)
with the Lagrange multiplier z0. The optimization conditions *
R
L =0, *
z
L =0 lead to the
associated switching rule (normality conditions) for internal variables (see also (11))
C
r
=z*
R
1 (41)
and loading/unloading conditions (known also as KuhnTucker conditions)
z0, 10, z1=0 (42)
In order to obtain tangent moduli, we use a standard procedure based on excluding the multiplier
z by the help of the switching condition (39) rewritten in differential form:
1=*
R
1

R+*
C
r
1

C
r
=0 (43)
Differentiation of (35) leads to
R=(I+A
T
)

R(HU)

C
r
(44)
with
H=*
2
C
r
C
r T
r
=
4
H
m 3
H
em
T
3
H
em
H
e
, H
T
=H (45)
U=
1
2
RR*
2
C
r
C
r G
1
=
4
U
m 3
U
em
T
3
U
em
U
e
, U
T
=U (46)
A=R*
C
r
G
1
=
4
A
3
A
P
T
3
A
P
A
PP
, A
T
=A (47)
DOI: 10.1002/nme
Note that matrix A is non-symmetric. All other introduced matrixes are symmetric. The tensors
4
H
m
,
3
H
em
, H
e
,
4
U
m
,
3
U
em
, U
e
,
4
A
,
3
A
P
,
3
A
P
, A
PP
are dened by (18)(20).
Accounting for the dependence of G on C
r
, differentiation of (32) leads to
R=G

CG(I+A)

C
r
(48)
where I is the identity matrix possessing the property I

C
r
=

C
r
. From (43), (44), (48) and (41) it
follows that
z=
*
R
1(I+A
T
)G

C
(*
R
1B*
C
r
1)*
R
1
(49)
where
B=(I+A
T
)G(I+A)+HU, B
T
=B (50)
Note that B=*
2
C
r
C
r T is positive denite due to the convexity of T(C
r
).
Finally, substituting the expression for z (49) into the associated law (41) and then into (48)
yields the rate of change of R in terms of rate of C
R=G
t

C (51)
where G
t
is the matrix of the ferroelectroelastic tangent moduli (continuous case)
G
t
=G
[G(I+A)*
R
1][*
R
1(I+A
T
)G]
(*
R
1B*
C
r
1)*
R
1
(52)
The inversion of G
t
can be obtained using the ShermanMorrisonWoodbury formula [36]
G
1
t
=G
1
+
[(I+A)*
R
1][*
R
1(I+A
T
)]
(*
R
1(HU)*
C
r
1)*
R
1
(53)
Note that G
t
and G
1
t
are symmetric due to using the associated rule (41). The positive de-
niteness of G
t
and G
1
t
is ensured by the requirement (*
R
1(HU)*
C
r
1)*
R
1>0. Sufcient
conditions for the fulllment of this inequality are a positive deniteness of the hardening matrix
HU and *
C
r
1*
R
10. The component form of the tangent moduli (52) and (53) can also be
obtained from (21) and (15), respectively.
For convenience and subsequent reference, the phenomenological constitutive model for ferro-
electroelastic material developed above is summarized in Box 1.
DOI: 10.1002/nme
Box 1. Summary of phenomenological ferroelectroelastic material model.
1. Additive decomposition of strain and electric displacement into reversible (l) and
remanent (r) parts
C=C
l
+C
r
2. Piezoelectricity relations
R=*
C
T(C, C
r
)=G(C
r
)(CC
r
)
3. Internal forces associated with internal variables
R=*
C
r
T
4. Admissible domain
1(
R, C
r
)0
5. Associative switching rule
C
r
=z*
R
1
6. KuhnTucker loading/unloading conditions
z0, 10, z1=0
7. Consistency condition
z
1=0
4. RETURN MAPPING ALGORITHMS
One of the main ingredients in the numerical solution of the nonlinear initial-boundary-value
problems for ferroelectroelasticity is the numerical integration of the constitutive equations (see Box
1). This integration is carried out locally at each quadrature point in typical FE implementations.
Return mapping (or catching-up) algorithms represent a widely used effective integration scheme
to integrate the nonlinear constitutive equations for unilaterally constrained problems. The objective
of these algorithms is the enforcement of the consistency condition dened by the switching (yield)
function. A return mapping algorithm can be conveniently dened based on the operator split
methodology [14] leading to a two-step algorithm including following steps for ferroelectroelastic
material:
linear electroelastic predictor;
ferroelectroelastic corrector.
The electroelastic trial predictor is used for checking of loading/unloading conditions and also
forms the initial condition for the ferroelectroelastic corrector. The linearly predicted trial state is
projected (corrected) onto a suitably updated switching (yield) surface. Consistency condition is
ensured by returning the trial solution to the switching surface. In the general case, the correction
DOI: 10.1002/nme
Figure 1. Input and output of return mapping algorithms (see also [14]): (a) vector potential FE formulation
and (b) scalar potential FE formulation.
stage consists of:
the time integration of the DAE, leading to an algebraic system;
the solution of the obtained nonlinear algebraic system.
The role of the ferroelectroelastic return mapping algorithm in the FE solution of the initial-
boundary-value problem is illustrated in Figure 1. The time integration of the rate-independent
constitutive model over time step [t
n
, t
n+1
] is regarded as (e, D)-driven process for the vector
potential FE formulation and (e, E)-driven process for the scalar potential FE formulation.
4.1. Implicit integration
The evolution equations (41) are integrated by employing the backward Euler implicit integra-
tion scheme, which is rst-order accurate and unconditionally stable under some assumptions
concerning material characteristics considered below. The backward Euler method is one of the
most popular integration methods for inelastic problems due to relative simplicity and good accu-
racy for large step sizes [14, 15, 37]. However, other more complex integration methods are also
applied in return mapping algorithms (see [15, 3840]).
We start assuming that the load history interval [0, T] is divided into N subintervals dened by
the points 0=t
0
<t
1
< <t
n
<t
n+1
< <t
N
=T. For the integration we consider the time interval
[t
n
, t
n+1
]; all quantities at the times t
n
and t
n+1
=t
n
+t are denoted with the subscript n and
n+1, respectively. The discrete forms of the evolution equations (41) read
C
r
n+1
=C
r
n
+z*
R
1(
R
n+1
, C
r
n+1
) (54)
DOI: 10.1002/nme
where z=z
n+1
t and according with (35) and (32)
R
n+1
=R
n+1
R
B
(C
r
n+1
)+

R(R
n+1
, C
r
n+1
) (55)
R
n+1
=G(C
r
n+1
)(C
n+1
C
r
n+1
) (56)
In conclusion, the discrete counterparts of the KuhnTucker conditions (42) have to be enforced:
z0, 1(
R
n+1
, C
r
n+1
)0, z1(
R
n+1
, C
r
n+1
)=0 (57)
Substitution of (56) into (55) and subsequent substitution of (55) into (54) and (57) allows to
exclude R
n+1
and

R
n+1
. This reduces the number of unknowns in the return-mapping problem to
C
r
n+1
and z.
An analysis of small-scale and large-scale stability of the time-stepping algorithm (54)(57) has
been performed in the same manner as in [22]. The proof of large-scale stability (B-stability) is
important for effective numerical procedures allowing large loading steps. Unconditional stability
of the backward Euler integration scheme for ferroelectroelastic materials imposes restrictions
on the dependences G(C
r
) and 1(C
r
), which are however satised in all numerical examples
(see Section 6) with material constants typical for polycrystalline ferroelectric ceramics. In the
simplied case of a negligible dependence of G on C
r
, the stability conditions require positive
deniteness of the matrix *
2
1B*
2
RC
r
1. This constraint is easy to be satised in the case of an
independence of 1 from C
r
because *
2
1 and B are symmetric and positive denite for convex

1(
R) and T(C
r
).
4.2. Predictor/corrector
The structure of the discrete equations (54)(56) motivates the introduction of the decomposition
of R
n+1
in a predictor (a priory known trial state) and a corrector:
R
n+1
= G
n+1
(C
n+1
C
r
n+1
)
= G
n
(C
n+1
C
r
n
)G
n+1
(C
r
n+1
C
r
n
)+(G
n+1
G
n
)(C
n+1
C
r
n
)
= R
trial
n+1
. ,, .
predictor
G
n+1
(C
r
n+1
C
r
n
)+(G
n+1
G
n
)(C
n+1
C
r
n
)
. ,, .
corrector
(58)
The aim of such decomposition is to introduce the parameter R
trial
n+1
, depending only on the known
values from the previous increment G
n
, C
r
n
and given C
n+1
, such that the occurrence of switching
(or lack thereof) is immediately known for the current (n+1)th increment. The predictor (trial)
and corrector (return) paths are visualized in Figure 2.
4.3. Trial state
The trial state is obtained by freezing the internal variables at the known values at time t
n
R
trial
n+1
=G
n
(C
n+1
C
r
n
)
C
r
trial
n+1
=C
r
n
R
trial
n+1
=R
trial
n+1
R
B
(C
r
trial
n+1
)+

R(R
trial
n+1
, C
r
trial
n+1
) (59)
1
trial
n+1
=1(
R
trial
n+1
, C
r
trial
n+1
)
DOI: 10.1002/nme
Figure 2. Geometric illustration of the concept of closest point projection for quadratic potential.
At the end of the predictor stage, the trial state is checked for consistency with the switching
conditions (57). The inequality 1
trial
n+1
1
n+1
[14] can be proved for the convex switching function
1(C
n+1
, C
r
n
)=1
trial
n+1
(
R
trial
n+1
(C
n+1
, C
r
n
), C
r
n
) satisfying the inequality (*
R
1B*
C
r
1)*
R
1>0 and
for the convex free energy (26). Therefore, from (57) the algorithmic form of loading/unloading
condition is decided solely from 1
trial
n+1
as follows:
1
trial
n+1
<0 non-switching step z=0
1
trial
n+1
>0 switching step z>0
(60)
The computed trial state is categorized to be linear electroelastic or ferroelectroelastic by checking
the sign of the yield function 1
trial
n+1
. If 1
trial
n+1
<0 and consequently 1
n+1
1
trial
n+1
<0, the trial
state satises the constraints imposed by the KuhnTucker conditions (57). The process is then
declared to be linear electroelastic and the trial state represents the actual nal state. If, on the
contrary, the predicted trial R
trial
n+1
happens to fall outside of the yield surface (1
trial
n+1
>0), then our
assumption of linear electroelasticity has been wrong and the updated state R
n+1
is obtained by
the orthogonal projection (closest point projection) of the trial state onto the updated switching
(yield) surface (corrector).
In contrast to plasticity, in ferroelectroelasticity the convexity of the functions

1(C, C
r
)=
1(
R(R(C, C
r
), C
r
), C
r
) and

1(R, C
r
)=1(
R(R, C
r
), C
r
) does not necessarily follow from the
convexity of 1(
R, C
r
). Owing to the dependence of G on C
r
and following the appearance of
R(R, C
r
) in

R, the functions

1(C, C
r
) and

1(R, C
r
) can be non-convex in the general case.
However, convexity of

1(C, C
r
) and

1(R, C
r
) is observed in the numerical examples consid-
ered in Section 6 with material constants typical for polycrystalline ferroelectric ceramics. The
general analysis of the convexity conditions for

1(C, C
r
) and

1(R, C
r
) and correspondingly the
formulation of a universal algorithmic loading/unloading condition applicable for the general
case require further investigations.
4.4. Iterative solution of return mapping equations
Assume the appearance of switching on current increment, which means 1
trial
n+1
>0, so that z>0. Let
x
n+1
=
_
C
r
n+1
z
_
(61)
DOI: 10.1002/nme
be a vector containing the unknowns of the problem. The return mapping equations (54)(57)
require the vanishing of the following residual vector:
r
n+1
(x
n+1
)=
_
r
C
n+1
r
1
n+1
_
=
_
C
r
n+1
+C
r
n
+z*
R
1
n+1
1
n+1
_
=0 (62)
Newtons method is used to solve the system of nonlinear algebraic equations (62):
x
(k+1)
n+1
=x
(k)
n+1
+ox
(k)
n+1
=x
(k)
n+1
_
_
*r
*x
_
(k)
n+1
_
1
r
(k)
n+1
(63)
The main difculty in applying the procedure (63) is the inversion of the 1010 square matrix at
each iteration. By observing that the last component of the residual vector r
n+1
does not depend
on z, the resulting linearized system of equations can be reduced in size by one via static conden-
sation.
Since C
n+1
is xed during the corrector stage, it follows from (44), (48), and (50) that
o
R=BoC
r
and (62) leads to the linearized problem
r
C
(k)
n+1
r
1
(k)
n+1
_
J
1
N
NBM 0
_
oC
r
(k)
n+1
oz
(k)
n+1
=0 (64)
where
J =[I+z
(k)
n+1
(*
2
1
(k)
n+1
B*
2
R
r 1
(k)
n+1
)]
1
(65)
N=*
R
1
(k)
n+1
, M=*
C
r
1
(k)
n+1
(66)
The indexes ()
(k)
n+1
on J, B, N, M are omitted here and below for compactness.
We solve the linearized problem (64) to directly obtain oC
r
(k)
n+1
and oz
(k)
n+1
:
oz
(k)
n+1
=
r
1
(k)
n+1
(NBM)Jr
C
(k)
n+1
(NBM)JN
, (67)
oC
r
(k)
n+1
=J(r
C
(k)
n+1
+Noz
(k)
n+1
) (68)
In conclusion, the internal variables C
r
and consistency parameter z are updated as follows:
z
(k+1)
n+1
=z
(k)
n+1
+oz
(k)
n+1
(69)
C
r
(k+1)
n+1
=C
r
(k)
n+1
+oC
r
(k)
n+1
(70)
For convenience, a step-by-step outline of the computational method proposed above is shown
in Box 2.
DOI: 10.1002/nme
Box 2. Return mapping algorithm.
Given C
n
, C
r
n
, and C
n+1
1. Predictor step: compute trial state
C
r
trial
n+1
=C
r
n
R
trial
n+1
=G
n
(C
n+1
C
r
n
)
R
trial
n+1
=R
trial
n+1
R
B
(C
r
trial
n+1
)+

R(R
trial
n+1
, C
r
trial
n+1
)
1
trial
n+1
=1(
R
trial
n+1
, C
r
trial
n+1
)
2. Check consistency condition for the trial state
if (1
trial
n+1
0) then ()
n+1
=()
trial
n+1
and exit
3. Corrector step: solve the residual equation
3.1. Initialize:
k =0, C
r
(0)
n+1
=C
r
trial
n+1
, R
(0)
n+1
=R
trial
n+1
, z
(0)
n+1
=z
n
3.2. Compute residuals:
r
C
(k)
n+1
=C
r
(k)
n+1
+C
r
n
+z
(k)
n+1
*
R
1
(k)
n+1
, r
1
(k)
n+1
=1
(k)
n+1
3.3. Check convergence:
if r
C
(k)
n+1
tol
C
and |r
1
(k)
n+1
|tol
1
then ()
n+1
=()
(k)
n+1
and exit
3.4. Compute inverted reduced Jacobian:
J=[I+z
(k)
n+1
(*
2
R
1
(k)
n+1
B*
2
R
r 1
(k)
n+1
)]
1
3.5. Obtain increment to consistency parameter:
oz
(k)
n+1
=
r
1
(k)
n+1
(*
R
1
(k)
n+1
B*
C
r
1
(k)
n+1
)Jr
C
(k)
n+1
(*
R
1
(k)
n+1
B*
C
r
1
(k)
n+1
)J*
R
1
(k)
n+1
3.6. Update solution:
z
(k+1)
n+1
=z
(k)
n+1
+oz
(k)
n+1
C
r
(k+1)
n+1
=C
r
(k)
n+1
+J(r
C
(k)
n+1
+*
R
1
(k)
n+1
oz
(k)
n+1
)
R
(k+1)
n+1
=G(C
r
(k+1)
n+1
)(C
n+1
C
r
(k+1)
n+1
)
R
(k+1)
n+1
=R
(k+1)
n+1
R
B
(C
r
(k+1)
n+1
)+

R(R
(k+1)
n+1
, C
r
(k+1)
n+1
)
3.7. Increase iteration counter k =k +1 and go to 3.2.
DOI: 10.1002/nme
4.5. Closest point projection
In this subsection we interpret the return mapping algorithm considered above as optimality
conditions associated with a convex optimization problem [18, 20]. This problem arises as the
algorithmic counterpart of the principle of maximum remanent dissipation. The constrained convex
minimization problem also proposes a geometric interpretation of the return mapping algorithm
as the closest point projection of the trial state onto the switching surface.
Introduce the complementary energy function through the Legendre transform of the Helmholtz
free energy (26)
,(R,

R)=max
C,C
r
[RC

RC
r
T(C, C
r
)] (71)
Under the assumption of free energy convexity, the relations (32) and (33) can be inverted and
displacement-like variables (C, C
r
) can be expressed trough force-like variables (R,

R). As

C(R,

R)
and

C
r
(R,

R) denote the inverse of (32) and (33), the complementary energy function (71) can be
rewritten as
,(R,

R)=R

C

R

C
r
T(
C,

C
r
) (72)
A straightforward calculation based on the chain rule leads to the relations
C = *
R
,(R,

R)
C
r
= *
R
,(R,

R)
(73)
With these denitions at hand, the main result in this subsection can be formulated.
The main equations of the return mapping procedure (54), (57) can be obtained as necessary
conditions of the unilaterally constrained variational problem
min
1(
R)0
[,(R,

R)C
n+1
R+C
r
trial
n+1

R] (74)
where C
r
trial
n+1
is dened by (59)
2
. For simplicity, we restrict ourselves to the case of 1(
R). The
condition (74) is introduced in analogy with approaches developed in computational plasticity.
The case of the quadratic free energy function with constant moduli was considered in [14]. The
generalization for the nonlinear potential is given in [17, 41]. The peculiarities of analysis for
ferroelectroelastic material are the dependence of material moduli on internal variables and the
fully coupled non-quadratic form of the free energy.
For the proof of the proposition (74), the Lagrangian associated with the variational problem
(74) is introduced following standard arguments in constrained optimization
L(R,

R, z)=,(R,

R)C
n+1
R+C
r
trial
n+1

R+z1(
R) (75)
with the Lagrange multiplier z. The rst-order necessary conditions for the local minima are
*
R
L(R
n+1
,

R
n+1
, z) = *
R
,(R
n+1
,

R
n+1
)+C
r
trial
n+1
+z*
R
1(
R
n+1
)=0
*
R
L(R
n+1
,

R
n+1
, z) = *
R
,(R
n+1
,

R
n+1
)C
n+1
=0
*
z
L(R
n+1
,

R
n+1
, z) = 1(
R
n+1
)0
(76)
DOI: 10.1002/nme
Equation (76)
1
corresponds exactly to (54) taking into account (73)
2
. Equation (76)
2
is satised
automatically on the basis of (73)
1
. Equation (76)
3
with z0 and z1(
R
n+1
, C
r
n+1
)=0 denes
the associated KuhnTucker complementary equations.
In order to make clear the geometric interpretation of (74), let us consider a quadratic potential
T=
1
2
(CC
r
)G(CC
r
)+
1
2
C
r
HC
r
with constant and positive denite G and H. In accor-
dance with (71) we obtain ,=
1
2
RG
1
R+
1
2
R
r
H
1
R
r
, where R
r
=

RR. In this case, the
variational problem (74) can be written as
min
1(R,R
r
)0
_
1
2
(RR
trial
n+1
)G
1
(RR
trial
n+1
)+
1
2
(R
r
R
r
trial
n+1
)H
1
(R
r
R
r
trial
n+1
)+,
trial
n+1
_
(77)
where R
trial
n+1
is dened by (59)
1
, R
r
trial
n+1
=

R
trial
n+1
R
trial
n+1
, ,
trial
n+1
=,(R
trial
n+1
, R
r
trial
n+1
)=const. The solution
{R
n+1
, R
r
n+1
} is the closest point projection of the trial state {R
trial
n+1
, R
r
trial
n+1
} onto the switching
surface in the energetic norm induced by the metric
M=
_
G
1
O
O H
1
_
(78)
where O is a 99 zero matrix.
Accordingly, {R
n+1
, R
r
n+1
} is the argument of the minimum principle (77) rewritten in the form
{R
n+1
, R
r
n+1
}=arg min
1(R,R
r
)0
[RR
trial
n+1
2
G
1
+R
r
R
r
trial
n+1
2
H
1
] (79)
where
R
C
=
_
1
2
RCR (80)
is the norm induced by C equal to G
1
or H
1
. Thus, the return mapping method can be considered
as the minimization of the distance between the trial state and the admissible domain dened by
the switching condition in the norm induced by M. The geometric interpretation of the method,
illustrated in Figure 2, represents the solution {R
n+1
, R
r
n+1
} in the 18-dimensional space as an
orthogonal projection in the metric M of the trial value {R
trial
n+1
, R
r
trial
n+1
} onto the switching surface
1
n+1
=0.
The interpretation of the return mapping procedure as a nonlinear mathematical program, which
is solved using general optimization methods, opens a possibility to use a wide range of powerful
and robust methods. Some schemes alternative to (74) such as augmented Lagrangian formulations
[41] and an interior point algorithm [42] have been proposed in computational plasticity. Evidently,
these methods can be applied for the analysis of ferroelectroelastic problems, too.
DOI: 10.1002/nme
5. ALGORITHMIC CONSISTENT TANGENT MODULI
5.1. Linearization of FE equations
In an FE setting, the equilibrium equations are satised weakly (see (4s) or (4v)). This results in
a system of nonlinear algebraic equations
F
int
(R)F
ext
=0 (81)
where F
ext
is a given global external load vector, F
int
is a global internal load vector dened by
F
int
(R)=
n
e
A
e=1
_
V
e
B
T
RdV (82)
where A is the FE assembly operator (see [14] for details), {V
e
, e=1, . . . , n
e
} signies an FE
partition of the domain of analysis, and B is the combination of the discrete symmetric gradient
and the curl or gradient operator (see [27, 29, 30] for further details).
Enforcing satisfaction of (81) at time t
n+1
, we obtain
F
int
(R
n+1
)F
ext
n+1
=0 (83)
with R
n+1
dened on the basis of the stress-update return mapping algorithm (54)(57):
R
n+1
=

R(C
n+1
, C
r
n
, R
n
) (84)
The discretized compatibility equations can be expressed through nodal displacements and electric
(scalar or vector) potentials as
C
n+1
=BU
n+1
(85)
Combining (82)(85) we nd
n
e
A
e=1
_
V
e
B
T

R(BU
n+1
, C
r
n
, R
n
)dV F
ext
n+1
=0 (86)
which denes a set of nonlinear equations to be solved for nodal unknowns U
n+1
. Note that the
nature of Equation (86) is strongly inuenced by the choice of the stress-update method (84).
The solution of the nonlinear Equations (86) on the basis of the NewtonRaphson method leads
to equation
(F
int
(R
(k)
n+1
)F
ext
n+1
)+
_
*F
int
(R
(k)
n+1
)
*U
(k)
n+1
_
U
(k+1)
n+1
=0 (87)
with the global tangent stiffness matrix
K
(k)
n+1
=
*F
int
(R
(k)
n+1
)
*U
(k)
n+1
=
n
e
A
e=1
_
V
e
B
T
*
R
(k)
n+1
*C
(k)
n+1
*C
(k)
n+1
*U
(k)
n+1
dV =
n
e
A
e=1
_
V
e
B
T
*
R
(k)
n+1
*C
(k)
n+1
BdV
=
n
e
A
e=1
_
V
e
B
T

G
(k)
t
n+1
BdV (88)
DOI: 10.1002/nme
The introduced algorithmic consistent tangent moduli (see also [12, 14, 26])
G
t
|
(k)
n+1
=
*
R
(k)
n+1
*C
(k)
n+1
(89)
are dependent on the choice of the stress-update procedure. The consistent tangent moduli

G
t
for
the return mapping procedure (54)(57) with implicit backward Euler integration procedure differ
from the continuous tangent moduli G
t
(52). However,

G
t
does reduce to G
t
under t
n+1
0.
Here and below all algorithmic consistent objects are marked by bars.
Thus, use of the consistent tangent moduli

G
t
is essential to preserve the quadratic rate of
asymptotic convergence of the global NewtonRaphson iterative procedure. In order to nd the
consistent tangent operator, we use linearization of the discrete problem corresponding to return
mapping algorithm presented in Section 4.
5.2. Consistent ferroelectroelastic tangent moduli
The consistent ferroelectroelastic tangent moduli

G
t
are obtained below by performing exact
linearization of the return mapping algorithm (54)(57). One of the advantages of the algorithm
is the possibility of obtaining the consistent tangent moduli in closed mathematical form.
By differentiating the relationships of the return mapping algorithm (54)(57), we obtain
dC
r
n+1
=z*
2
R
1
n+1
d
R
n+1
+z*
2
RC
r
1
n+1
dC
r
n+1
+dz*
R
1
n+1
(90)
d
R
n+1
=(I+A
T
n+1
)dR
n+1
(H
n+1
U
n+1
)dC
r
n+1
(91)
dR
n+1
=G
n+1
[dC
n+1
(I+A
n+1
)dC
r
n+1
] (92)
d1
n+1
=*
R
1
n+1
d
R
n+1
+*
C
r
1
n+1
dC
r
n+1
=0 (93)
Note that all variables in (90)(93) have the same subscript n+1, which will be omitted further
for compactness.
In order to obtain the direct explicit relation between dR and dC in the form dR=

G
t
dC, we
have to solve the linear system (90)(93)
IW V 0 N
HU I (I+A
T
) 0
G(I+A) 0 I 0
M N 0
T
0
dC
r
d
R
dR
dz
0
0
dC
0
(94)
where M and N are dened by (66), 0 is a 99 zero matrix, 0 is a 91 zero vector and
V=z*
2
R
1, W=z*
2
RC
r
1 (95)
Substituting (91) into (90) excludes d
R and yields an expression for dC

r
through dR and dz:
dC
r
=Q[Ndz+V(I+A
T
)dR] (96)
DOI: 10.1002/nme
with
Q=[I+V(HU)W]
1
(97)
Substituting (96) into (92) excludes dC
r
and yields an expression for dR through dC and dz:
dR=

G[dC(I+A)QNdz] (98)
where

G are modied (algorithmic) piezoelectric moduli dened as
G=[G
1
+(I+A)QV(I+A
T
)]
1
(99)
Note that

GG under t 0 (and correspondingly z0), whereas QI.
By using (91), (96), and (98), we solve (93) for dz to obtain the following expression:
dz=
L

GdC
L

G

N+

D
(100)
where
N=(I+A)QN (101)
L={N[N(HU)M]QV}(I+A
T
) (102)
D =[N(HU)M]QN (103)
Finally, from (98) and (100) we obtain an expression for the consistent ferroelectroelastic tangent
moduli
G
t
=

G
G

N

L

G
L

G

N+

D
(104)
The structure of the consistent tangent moduli

G
t
(104) is the same as that of the continuum
tangent moduli G
t
(52). The differences consist in the replacement of the piezoelectric moduli G
by the algorithmic consistent moduli

G and in the use of

N and

L=

N instead of (I+A)N.
Note that the consistent ferroelectroelastic tangent moduli

G
t
are non-symmetric in the general
case, just as

G, Q, and J. The symmetry conditions of the consistent moduli are further discussed
in Section 5.4.
The presentation (104) for

G
t
is convenient for the analysis of its general properties (symmetry,
positive deniteness, difference from continuum tangent), but (104) is not suitable for computation
due to the double inversion required for the computation of Q (97) and

G (99). The consistent
tangent moduli

G
t
can be transformed (see Appendix A) in a computationally more attractive form
based on only single matrix inversion:
G
t
=GG(I+A)JV(I+A
T
)G
G(I+A)JN [N(NBM)JV](I+A
T
)G
(NBM)JN
(105)
Note that the computation of J is also required in the iterative solution of the return mapping
equations (see Box 2).
DOI: 10.1002/nme
5.3. Analysis of particular cases
First let us consider the case of vanishingly small time steps t 0. In this case z0 and as
follows from (95)
V0, W0 (106)
which by use of (65), (97), (99) and (105) leads to
JI, QI,

GG,

G
t
G
t
(107)
Thus, the consistent and continuum tangent moduli coincide in the limit as t 0. This result is
a manifestation of the consistency between the algorithm and the continuum problem.
The next case is a special switching function 1(
R) instead of the general case 1(
R, C
r
) (39).
Under this assumption, from (66)
2
, (95)
2
it follows
M=0, W=0 (108)
As follows from (99), (97) and (108)
2
G={G
1
+(I+A)[V
1
+(HU)]
1
(I+A
T
)}
1
(109)
and therefore

G is a symmetric matrix, since G, V, H, U are symmetric. The consistent tangent
moduli

G
t
(104) are also symmetric in this case:
G
t
=

G
G(I+A)QN NQ
T
(I+A
T
)

G
N[(HU)Q+Q
T
(I+A
T
)

G(I+A)Q]N
(110)
where
Q
T
=[I+(HU)V]
1
=(HU)Q(HU)
1
=I(HU)QV (111)
In the last case we suppose the absence of hardening (H=0) and independence of piezoelectric
moduli from internal variables (A=0 and U=0). Under these assumptions we obtain Q=I and,
as follows from (110), the consistent tangent moduli reduce to
G
t
=

G
GN N

G
N

GN
(112)
with
G=[G
1
+V]
1
(113)
Note that the structure of Equations (112)(113) coincides with that proposed in [14, p. 147] for
the case of perfect plasticity.
5.4. Symmetry conditions for consistent tangent moduli
In the general case, the consistent ferroelectroelastic tangent moduli

G
t
dened by (104) are non-
symmetric, although the material obeys the normality condition (41) and fully implicit integration
(54) is used. The non-symmetry of the tangent moduli leads to a non-symmetry of the global
stiffness matrix in the FE method, which considerably adds to the factorization cost of analysis.
DOI: 10.1002/nme
Moreover, the symmetry of the tangent operator ensures [26] numerous regularity properties,
bounding theorems and also it inuences the discrete material model stability and localization of
elds.
Let us now obtain the conditions for when the algorithmic consistent tangent

G
t
is symmetric.
For the analysis of the symmetry properties of the consistent tangent moduli it is useful to remember
that the following matrixes are unconditionally symmetric:
G
T
=G, G
T
t
=G
t
, H
T
=H, U
T
=U, B
T
=B, V
T
=V (114)
The following variants are non-symmetric in the general case:
G
T
=

G,

G
T
t
=

G
,
t
A
T
=A, Q
T
=Q, J
T
=J, W
T
=W (115)
As can be seen from (104), the consistent ferroelectroelastic tangent moduli

G
t
are symmetric
only if
G
T
=

G,

G

N=

L

G (116)
The rst condition (116)
1
taking into account (99) and (97) leads to the relation
[G
1
+(I+A)VQ
T
(I+A
T
)]
1
=[G
1
+(I+A)QV(I+A
T
)]
1
(117)
whose simplication yields
VQ
T
=QV (118)
This transforms in consideration of the denition (97) for Q to
[V
1
+(HU)W
T
V
1
]
1
=[V
1
+(HU)V
1
W]
1
(119)
Hence, nally (116)
1
reduces to the restriction for V and W
W
T
V
1
=V
1
W (120)
The last equation is a symmetry condition (V
1
W)
T
=V
1
W and therefore (117) can be
rewritten as a linear relation between V and W with an arbitrary symmetric matrix S:
W=VS (121)
On the other hand, Equation (120) can be simplied to
VW
T
=WV (122)
Using (101) and (102), the second condition (116)
2
leads to the relation
G(I+A)QN=

G(I+A){NVQ
T
[(HU)NM]} (123)
whose simplication taking into account (118) yields
QN=NQV[(HU)NM] (124)
from which we obtain together with (97)
Q[IQ
1
+V(HU)]N=QVM (125)
DOI: 10.1002/nme
Hence, nally (116)
2
reduces to the restriction for N, M, V, and W
WN=VM (126)
Inserting (121) in (126), we obtain a linear relation between N and M:
M=SN (127)
Thus, the symmetry conditions of

G
t
are dened by (122), (126) and, recalling (95), they
represent restrictions on the switching condition:
*
2
R
1*
2
C
r

R
1=*
2
RC
r
1*
2
R
1, *
2
RC
r
1*
R
1=*
2
R
1*
C
r
1 (128)
or equivalently from (121), (127), introducing an arbitrary symmetric matrix S, (128) can be
rewritten as
*
C
r
1=S*
R
1, *
2
R
r 1=*
2
R
1S (129)
Let us consider several examples of switching criteria satisfying (128) and providing symmetry
of

G
t
.
Example 1
The trivial case S=0 corresponds by (129) to the independence of 1 from C
r
: 1=1(
R) with
*
C
r
1=0 and *
2
R
r 1=0.
Example 2
Let us consider a quadratic criterion
1=
1
2

RC

R+

RDC
r
+
1
2
C
r
EC
r
1=0 (130)
with constant matrixes C, D, E. In this case, the symmetry conditions (129) have the form
RD+EC
r
=S(C

R+DC
r
), D=CS (131)
or after simplication
C
T
=C, D=CS, E=SCS (132)
which reduces (130) to
1=
1
2

RC

R+

RCSC
r
+
1
2
C
r
SCSC
r
1=0 (133)
where S is an arbitrary symmetric constant matrix.
Example 3
Let us consider the switching criterion
1=
1
2

RC

R+

R
R
3
FC
r
1=0 (134)
or in index notation
1=
1
2
C
ij

j
+F
i j k

r
k
1=0 (135)
DOI: 10.1002/nme
with constant second-order matrix C
ij
and third-order matrix F
ijk
. Supposing the fullled symmetry
conditions C
ij
=C
ji
and F
ijk
=F
jik
, we obtain the following relationships from (135):
*
s
1 = C
si

i
+2F
isk

r
k
*
r
s
1 = F
ijs

j
*
2
s
1 = C
ls
+2F
lsk
r
k
*
2
r
s
1 = 2F
ils

i
(136)
The symmetry conditions of

G
t
(128) for the criterion (135) take the form
(C
ls
+2F
lsk
r
k
)F
ijs

i
= F
ils

i
(C
sj
+2F
sjk
r
k
)
2F
ils

i
(C
s j

j
+2F
jsk

r
k
) = (C
ls
+2F
lsk
r
k
)F
ijs

j
(137)
As

i
and
r
k
are arbitrary, we then get after transforming the conditions providing
symmetry of

G
t
:
F
ijs
C
sl
= 0
F
ijs
F
slk
= 0
(138)
The obtained equations should be satised for arbitrary indices i, j, k,l =1, . . . , 9. Summation is
carried out on the repeating index s.
The simplest switching criterion, for example, considered in [1, 5, 6],
1(
E)=

E

EE
2
0
=0 (139)
corresponds to the case of the absence of internal variables in the criterion, analyzed in Example 1,
and therefore it ensures the symmetry of

G
t
.
The same arguments are valid for the criterion [3]
1( r,

E, P
r
)=

E

E+: s sE
2
0
=0 (140)
also reducing to the symmetric consistent tangent matrix

G
t
.
The switching criterion used in [5, 34] reads as
1( r,

E, P
r
)=
E

E
E
2
0
+
3 s s
2o
2
0
+[
E sP
r
E
0
o
0
P
0
1=0 (141)
Evidently it is a partial case of (134) considered in Example 3. Unfortunately, conditions (138)
have not been satised in the case of (141), which leads to a non-symmetric consistent tangent
matrix. The cause of the non-symmetry is in the last item in (141). Without it (i.e. under [=0) we
had the case 1=1( r,

E) considered in Example 1. In addition, it is clear that under [=0 we had
F
ijs
0 and (138) were satised automatically. Under [=0 in accordance with (138), appearance
in the switching criterion of the combination containing

E, s, P
r
causes an appearance of items
containing the product of

E, s, e
r
and s, s, P
r
in row with

E, s.
DOI: 10.1002/nme
The switching criterion (141) uses as arguments in a row with internal forces

E, s also the
internal variables P
r
, which is phenomenologically inconsistent with the traditional approach in
the formulation of yield criteria introduced initially in plasticity for standard materials.
The introduction of the last item in (141) is argued in [34] by the necessity to incorporate into the
phenomenological model the experimentally observed phenomena that application of an electric
eld alone from the initially isotropic state can give rise to a remanent strain. The inclusion of such
coupling between electrical and mechanical terms can be accounted for in either the switching
function 1: *
s
E
1=0 or the remanent part of the free energy T
r
: *
e
r
P
r T
r
=0. In addition, in the
rst case P
r
is used in 1 to ensure that this term is active whenever the material has remanent
polarization. Thus, the electromechanical coupling introduced in a switching criterion such as
in (141) leads to a non-symmetric consistent tangent matrix

G
t
, whereas coupling based on an
expression for the free energy ensures a symmetric consistent tangent matrix

G
t
and therefore it
is more attractive from the computational point of view.
In conclusion, note that only the switching criterion has inuence on the lack of symmetry of
the consistent tangent matrix

G
t
. The hardening and the dependence of the piezoelectric moduli
on internal variables do not prevent symmetry of

G
t
within the framework of the material model
(26)(39). The switching criteria (139) and (140) provide only sufcient conditions for the
symmetry of

G
t
. Of course, more complex switching criteria, satisfying (128), can be offered.
However, such modications are not considered here.
5.5. Consistent tangent matrixes in component form
The consistent ferroelectroelastic tangent moduli are dened in compact notations by (104). Let
us rewrite this equation in component form with partition into mechanical and electrical parts. It
provides similar to (27), (25)
1,2
G=
_
4

C
D
h
T
2
h
1

b
_
,

N=
_
e
N
P
N
_
,

L=
_
e
L
P
L
_
(142)
where

G from (99) is dening the elements
4

C
D
,
3
h
1
,
3
h
2
,

b
as well as

N and

L from (101) and
(102) are dening the elements e
N
,

P
N
, e
L
,

P
L
. With these elements in hand we obtain from (104)
the desired consistent tangent moduli in component form
G
t
=
4

C
D
r
N
r
L

_
3
h
T
2
+
1
r
N
E
L
_
_
3
h
1
+
1
E
N
r
L
_

b
E
N
E
L
(143)
r
N
=
4

C
D
e
N
h
T
2

P
N
,

r
L
= e
L
4

C
D

P
L
h
T
2
E
N
=
3
h
1
e
N
+

P
N
,
E
L
= e
L
h
1
+

P
L
F =

D+
r
L
e
N
+
E
L

P
N
(144)
DOI: 10.1002/nme
The scalar variable

D is dened by (103) and it represents the algorithmic analog of D intro-
duced in (16). Owing to non-symmetry of

G it is caused that
4

C
D
T
=
4

C
D
,
3
h
2
=
3
h
1
,

b
T
=
r
N
=
r
L
,
E
N
=
E
L
in the general case.
Note that the structure of (143)(144) is similar with that following from (21)(22). The main
difference is in the replacement of corresponding continuous moduli with algorithmic ones, marked
by a bar.
The formulation (143) for consistent tangent moduli is directly suitable for application in the
vector potential FE formulation because
_
dr
dE
_
=

G
t
_
de
dD
_
(145)
The scalar potential FE formulation requires special consistent tangent moduli

G
SP
t
, which are
dened from the relation
_
dr
dD
_
=

G
SP
t

_
de
dE
_
(146)
After an algebraic transformation we receive from (143) and (144)
G
SP
t
=
4

C
E
r
N
r
L

_
3
e
T
2
+
1
r
N
P
L
_
3
e
1
+
1
P
N
r
L
j
+
1
P
N
P
L
(147)
r
N
=
4

C
E
e
N
=
r
N
+
3
e
T
2

E
N
,

r
L
= e
L
4

C
E
=
r
L
+
E
L
3
e
2
P
N
=

P
N
3
e
1
e
N
= j
E
N
,

P
L
=

P
L
e
L
3
e
T
1
=
E
L
j
G =

D+
r
L
e
N
=

F

P
L
E
N
(148)
Note that the structure of (147) and (148) is the same as that of the matrix in (23) and (24).
Difference is to be found in using corresponding algorithmic moduli instead of continuous ones.
The relations between the algorithmic moduli
4

C
D
,
3
h
1
,
3
h
2
,

b
and
4

C
E
,
3
e
1
,
3
e
2
, j
are the
same as the relations (6) between the continuous moduli
4
C
D
,
3
h, b
and
4
C
E
,
3
e, j
.
Along with the approach presented above there is another way to obtain the expression (147).
It bases on using the inversion of

G
t
(104) by the ShermanMorrisonWoodbury formula [36]
G
1
t
=

G
1
+
D
(149)
leading to
G
1
t
=
S
E
+
1
D
e
N
e
L
3
d
T
2
+
1
D
e
N
P
L
3
d
1
+
1
P
N
e
L
j
o
+
1
P
N
P
L
(150)
DOI: 10.1002/nme
6. NUMERICAL EXAMPLES
The return mapping algorithms and corresponding consistent tangent matrixes for the scalar and
the vector potential formulations have been implemented into the FE program PANTOCRATOR
[43]. The examples reported below compare various integration methods, various tangent matrixes
as well as scalar and vector potential formulations for a nonlinear ferroelectroelastic material.
The rst example is concerned with the simulation of the behavior of typical ferroelectroelastic
polycrystalline ceramics in homogeneous (in space) state and various loading programs. The
ferroelastic and the ferroelectric hysteresis as well as the buttery hysteresis and the mechanical
depolarization effect are investigated. The second and third example deals with an inhomogeneous
state realized in a hollow cylinder under radial poling and in a hexahedron with a centered
cylindrical hole loaded by an electric potential difference applied on two opposite sides. These
examples demonstrate the accuracy and robustness of the presented algorithmic framework.
The fully coupled ferroelectroelastic material model proposed by Landis [5] (see Section 3)
is used. We assume that the material is initially isotropic in the unpoled state. The tensors
4
S
E
and j
o
remain isotropic during loading (which does not hold for
4
C
E
,
4
C
D
, j
, b
). The tensor
of piezoelectric coefcients
3
d is initially equal to zero and with upcoming switching becomes
transversely isotropic about the polarization direction (see [5, 6] for details). The remanent part
of the free energy T
r
from (7) is approximated by additive decomposition into pure electric T
e
,
pure mechanical T
m
and electromechanical T
em
contributions, as proposed in [5, 32, 33]:
T
r
(e
r
, P
r
)=T
e
(P
r
)+T
m
(e
r
)+T
em
(e
r
, P
r
) (151)
Two expressions for the pure electric remanent part are used in the computations: an empirical
variant from [5] based on the power-type approximation
T
e
(|P
r
|)=
H
e
P
2
0
m
e
1
_
1
m
e
2
_
1
|P
r
|
P
0
_
2m
e
|P
r
|
P
0
_
(152)
and a variant motivated by concepts of statistical mechanics [44] based on the logarithm-type
approximation
T
e
(|P
r
|)=H
e
P
2
0
_
|P
r
|
P
0
arctanh
_
|P
r
|
P
0
_
+
1
2
ln
_
1
_
|P
r
|
P
0
_
2
__
(153)
where H
e
, P
0
, m
e
are material constants. The expressions for T
m
and T
em
are chosen from [5].
6.1. Simulation of hysteresis phenomena in ferroelectric ceramics
The intention of this example is a comparison between the return mapping algorithm representing
the implicit method and explicit forward Euler method applied for the integration of the consti-
tutive equations for polycrystalline ferroelectric ceramics with material parameters from Table II.
For large numbers of increments (more than 5000), both methods provide practically similar
solutions (relative difference 10
4
10
5
). The results of such a simulation of typical effects in
ferroelectroelastic material are given in Figure 3 for proportional loading (in Figure 3(a), (b) cyclic
electric eld is applied; in Figure 3(c) cyclic mechanical stress is applied) and non-proportional
loading (in Figure 3(d) uniaxial compression of previously poled specimen; in Figure 3(e) cyclic
DOI: 10.1002/nme
Table II. Applied material parameters for PZT-5H [34, 46] and PLZT [5, 45].
Quantity Symbol PZT-5H ceramics [34, 46] PLZT ceramics [5, 45] Dimension
Youngs modulus Y
E
61 68 GPa
Poissons ratio v
E
0.31 0.35
Dielectric permittivity
o
11
2.7710
8
5.6310
8
F/m
Piezoelectric constants d
33
5.9310
10
11.8810
10
m/V
d
31
2.7410
10
5.9410
10
m/V
d
15
7.4110
10
11.8810
10
m/V
Spontaneous polarization P
0
0.24 0.25 C/m
2
Spontaneous tensile strain 2
0
0.0093 0.002
Coercive eld E
0
820 360 kV/m
Coercive stress o
0
24.6 7.2 MPa
Hardening parameters H
e
714 000 72 000 m/F
m
e
1.4 2.0
H
o
620 7.2 MPa
m
t
1.4 2.75
m
c
1.4 1.5
Switching surface shape factor [ 1.44 2.75
electric eld on a previously compressed specimen [45]; in Figure 3(f) polarization rotation
electric loading of a sample under an angle different from the direction of initial poling [34]).
The agreement between the results in Figure 3(e),(f) and corresponding experiments for PLZT
[45] and soft PZT [34] is satisfactory. However, under decrease in the number of increments the
explicit forward Euler method demonstrates low accuracy, cyclical instability and divergence (see
Figure 4).
The results of numerical simulations of one cycle subdivided into 40 increments are presented
in Figure 4. In the rst loading case (see Figure 4(a),(b)) an electric eld is given (E
x
is increased
from 0 up to 2MV/m, afterwards decreased to 2MV/m and then again increased to the value
2 MV/m; all other components E
y
, E
z
and stress components are assumed to be zero). The results
corresponding to the return mapping procedure (in Figure 4 marked as implicit) strongly follow
the exact solution curve whereas the explicit method shows drift. In the last case, the dielectric
hysteresis and buttery loop are not closed. The similar behavior is also observed for the second
loading case (see Figure 4(c),(d)) with electric displacement control (D
x
is increased from 0
up to 0.293C/m
2
afterwards decreased to 0.293C/m
2
and then again increased to the value
0.293C/m
2
; all other components D
y
, D
z
as well as stress components are assumed to be zero).
The material parameters for the simulations in Figures 3(a)(d),(f) and 4 are chosen as an
approximation of soft PZT-5H. The remaining simulation presented in Figure 3(e) is carried out with
material parameters corresponding to lead lanthanum zirconate titanate (PLZT). All used material
parameters are based on experimental data from [5, 34, 45, 46] and are summarized in Table II.
6.2. Radial poling of hollow cylinder
In order to provide justication/validation for the proposed return mapping procedure and consistent
tangent matrix, an example has been selected for the comparison of the numerical and analytical
DOI: 10.1002/nme
Figure 3. Simulation of typical effects in ferroelectroelastic materials under proportional and nonpropor-
tional loadings. (a) Dielectric hysteresis; (b) buttery hysteresis; (c) ferroelastic hysteresis; (d) mechanical
depolarization; (e) dielectric hysteresis under compression; and (f) repolarization.
solution (see Appendix B). An innitely long thick-walled cylinder is charged by a constant
potential [
0
>0 on the internal surface. We assume a monotonically increasing loading program.
The potential is zero on the outer surface. The specimen dimension, FE mesh, loading conditions,
and material parameters are shown in Figure 5 and are given in Table III. By noting central
symmetry, any sector (one quarter, for example) of the region can be modeled. The nonlinear
ferroelectric problem is solved disregarding coupling (
3
d0, T
m
=T
em
0, [0) in order to
compare it with the analytic solution obtained under these assumptions. Numerical solutions have
been obtained on two- and three-dimensional FE models. The results presented below correspond
to the case of 20-noded three-dimensional quadratic isoparametrical FEs.
DOI: 10.1002/nme
Figure 4. Comparison of implicit and explicit integration methods for constitutive equations. (a),(b)
Loading case with given electric eld and (c),(d) loading case with given electric displacement.
Figure 5. Radial poling of thick-walled cylinder. Loading conditions and nite element model.
The solutions corresponding to three different loading levels (leading to states with the switching
zone radiuses
1
4
,
1
2
and
3
4
of the cylinder thickness) are given in Figure 6. A good agreement of
the numerical solutions with the analytical solution is observed.
The results of the comparison between implicit and explicit methods are given in Figure 7. The
advantage of the return mapping procedure is evident.
A comparison of the convergence rate of global NewtonRaphson iterations for different stiff-
ness matrixes (based on consistent tangent moduli

G
t
, continuum tangent moduli G
t
, and secant
moduli G) is presented in Figure 8 for the case of vector potential formulation. Consistent
and continuum tangent matrixes lead to practically similar results, which show a much better
DOI: 10.1002/nme
Table III. Model parameters for the problem of radial poling of hollow cylinder.
Quantity Symbol Value Dimension
Internal radius a 0.01 m
Outer radius b 0.02 m
Dielectric permittivity
o
11
10
8
F/m
Coercive eld E
0
10
6
V/m
Hardening parameter H
e
10
7
m/F
Figure 6. Electric eld E
r
distribution along radius under radial poling of hollow cylinder.
Figure 7. Comparison of implicit and explicit methods for the problem of radial poling of hollow cylinder.
DOI: 10.1002/nme
Figure 8. Comparison of convergence rate of global NewtonRaphson iterations for consistent tangent
matrix, continuum tangent matrix and secant matrix.
Table IV. Number of iterations corresponding to scalar and vector potential
formulations for various loading levels.
[
0
, V 8401 9414 10 045 15 000 20 000 25 000 30 000
Scalar potential formulation 4 5 5 4 4 no convergence no convergence
Vector potential formulation 4 4 5 5 6 6 7
One increment (time step). Tolerance =10
5
.
convergence rate compared with the results for the secant matrix. Convergence in iteration proce-
dure after i +1 iterations is checked by comparing the relative error norm with the tolerance
U
i +1
n+1
U
i
n+1
/U
i +1
n+1
, where is the normalized Euclidian norm, U are nodal unknowns.
The convergence properties for scalar and vector potential formulations under various loading
levels are shown in Table IV. Solutions by the scalar potential formulation demonstrate divergence
at high loading levels. The results presented in Table IV correspond to the tolerance =10
5
acceptable from the engineering point of view.
Note that, according to the return mapping algorithm in Box 2, the values R
(k+1)
n+1
, C
r
(k+1)
n+1
are
calculated based solely on the converged values R
n
, C
r
n
at the beginning of the time step. The
non-converged values R
(k)
n+1
, C
r
(k)
n+1
at the previous iteration play no explicit role in the considered
integration algorithm. Use of an alternative iterative scheme based on intermediate non-converged
values (in predictor as well as in corrector) is questionable for a problem which is physically path-
dependent. Figure 9 shows the occurrence of false unloading zones during the iteration process
for the solution based on non-converged values from previous iteration.
6.3. Hexahedron with centered cylindrical hole
The aim of the simulations is to compare the rapidness and accuracy of the results obtained using
the consistent and continuum tangent matrixes for different loading levels of the specimen with a
DOI: 10.1002/nme
Figure 9. Evolution of switching zone (grey) on iterations for two iteration strategies. (a)
Solution based on converged value (from previous increment) and (b) solution based on
non-converged value (from previous iteration).
quite simple geometry. In the following example we consider a hexahedron with the dimensions
20mm20mm6mm and with a centered cylindrical hole of 4 mm diameter. Owing to its
symmetry in geometry and mechanical loading, symmetry and asymmetry in electrical loading
(electric potential is symmetric with respect to vertical symmetry plane and antimetric with respect
to the horizontal symmetry plane), only one eighth of the specimen is discretized with 154 eight-
node three-dimensional elements (see Figure 10). The symmetry planes of the specimen are xed
in perpendicular direction to the corresponding side. The electric scalar potential is set to zero
at the front side (ABCD in Figure 10), whereas the potential [
0
is prescribed at the back side.
The absence of free charges nD|
S
=0 takes place on all other outer surfaces. Material parameters
corresponding to PZT-5H [34, 46] are used (see Table II) with the exception of [=0 in order to
provide symmetry of the consistent global stiffness matrix.
The initial state corresponds to isotropic unpoled material. Up to [
0
4.3kV, the FE model
shows linear behavior. After exceeding this value, switching begins in the zone around the line
AD and nonlinear behavior can be observed. The dominating component E
y
of the electric eld
distribution corresponding to [
0
=15kV is given in Figure 10. The maximum value of the electric
eld in point A is 3.1 times higher than the nominal value realized far from hole and 5.7 times
higher than the coercive eld. The scalar and vector potential formulations give practically the
same results for the eld distribution (see the comparison of distribution of E
y
along AB presented
at the right-hand side of Figure 10). The maximum relative difference between the solutions for E
y
observed in point A achieves less than 4%. The maximum relative difference for o
i
is about 7%.
The convergence of the global NewtonRaphson iteration procedure for different stiffness
matrixes (based on consistent tangent moduli

G
t
, continuum tangent moduli G
t
and secant moduli
G) is presented for the case of [
0
=8kV and vector potential formulation in Figure 11. Note
the domination of the method with the consistent tangent matrix over others. The advantage of
the consistent tangent matrix becomes more considerable with an increase of the loading level
DOI: 10.1002/nme
Figure 10. Electric eld E
y
distribution in the hexahedron with hole under
0
=15kV.
Figure 11. Comparison of the convergence rate of global NewtonRaphson iterations for consistent tangent
matrix, continuum tangent matrix and secant matrix.
(see Table V). The number of iterations for procedures with the consistent tangent matrix is about
two times less than the number of iterations for the continuum tangent matrix at a high loading
level ([
0
=15kV).
The scalar potential formulation shows divergence of the global NewtonRaphson iterations
under the same number of increments (time steps) as the vector potential formulation. The scalar
potential formulation requires considerably more increments for a convergence. For example, at
[
0
=8kV the number of increments necessary to avoid divergence is 30 for the scalar potential
formulation with the consistent tangent matrix, while only one increment is enough for a conver-
gence using the vector potential formulation (see Table V). The application of the continuum
DOI: 10.1002/nme
Table V. Cumulative number of iterations corresponding to procedures with consistent and continuum
tangent matrixes for various loading levels.
[
0
=5kV [
0
=8kV [
0
=9kV [
0
=10kV [
0
=15kV
Number of increments 1 1 2 3 6 6 18
Continuum tangent matrix 7 8 15 no 47 no 108
convergence convergence
Consistent tangent matrix 5 6 11 16 28 29 66
Vector potential formulation. Tolerance =10
4
.
tangent matrix or secant matrix with the scalar potential formulation leads to worse convergence
conditions. Using the consistent tangent stiffness matrix enables us to avoid divergence in the
global iteration process for both formulations (see also Table V).
7. CONCLUDING REMARKS
Return mapping algorithms for a general class of phenomenological rate-independent models for
ferroelectroelastic materials are presented. It has been shown that the proposed equations for the
return mapping procedure can be considered as optimality conditions associated with a convex
optimization problem. This problem arises as the algorithmic counterpart of the principle of
maximum remanent dissipation. The constrained convex minimization problem also proposes a
geometric interpretation of the return mapping algorithm as the closest point projection of the trial
state onto the switching surface.
Consistent tangent operators are obtained in closed form by linearizing the return mapping
algorithm. Conditions that provide the symmetry of the consistent tangent matrix are analyzed. A
simple sufcient condition consists of using a switching criterion as a function of internal forces
only without direct dependence on internal variables.
Return mapping algorithms and consistent tangent matrixes are presented for both the scalar and
the vector potential FE formulations. Numerical examples illustrate the accuracy and effectiveness
of the proposed algorithms. The effect of the application of the consistent tangent stiffness matrix is
increased with an increasing loading level. Using the consistent tangent stiffness matrix enables us to
avoid divergence in the global NewtonRaphson iteration process and to apply large loading steps.
APPENDIX A: ALTERNATIVE FORM OF ALGORITHMIC CONSISTENT
TANGENT MODULI
The consistent ferroelectroelastic tangent moduli are dened by Equation (104):
G
t
=

G
G

N

L

G
L

G

N+

D
(A1)
This form of presentation is convenient for the analysis of general properties of tangent moduli,
but it is not suitable for computation due to the necessity of double inversion under computation
of Q (97) and

G (99). With the aim to obtain an alternative variant for

G
t
, rst we modify
DOI: 10.1002/nme
Equations (99), (101)(103) by replacing the matrix Q on J introduced by (65). From denitions
(97) and (65) for Q and for J it follows that
J
1
=Q
1
+V(I+A
T
)G(I+A) (A2)
The expression for

G (99) reduces with the help of (A2) and the chain rule to
G=(I+A
T
)
1
[{(I+A
T
)G(I+A)}
1
+QV]
1
(I+A)
1
=G(I+A)[Q
1
+V(I+A
T
)G(I+A)]
1
Q
1
(I+A)
1
=G(I+A)J[J
1
V(I+A
T
)G(I+A)](I+A)
1
=GG(I+A)JV(I+A
T
)G (A3)
A computation of

G on the basis of (A3) in opposite to (99) requires only one inversion attending
in the computation of J (see (65)). Note that the iterative solution of return mapping equations
also requires the computation of J (see Box 2).
From (A3)
2
it follows
G(I+A)Q=G(I+A)J (A4)
which allows by the help of (101) to modify the combination

G

N in (A1) to
G

N=

G(I+A)QN=G(I+A)JN (A5)
From (99) and (A2) it follows
QV(I+A
T
)

G=[G
1
(I+A
T
)
1
Q
1
V
1
+(I+A)]
1
=JV(I+A
T
)G (A6)
which in row with (102), (A3)
4
and (50) leads to
L

G=N(I+A
T
)

G[N(HU)M]QV(I+A
T
)

G
=N(I+A
T
)[GG(I+A)JV(I+A
T
)G][N(HU)M]JV(I+A
T
)G
=[N(NBM)JV](I+A
T
)G (A7)
In order to replace Q on J, the denominator of (A1) transforms taking into account (101)(103),
(A4) and (A2) as follows:
L

G

N+

D ={N[N(HU)M]QV}(I+A
T
)

G(I+A)QN+[N(HU)M]QN
={N[N(HU)M]QV}(I+A
T
)G(I+A)JN+[N(HU)M]QN
=N(I+A
T
)G(I+A)JN+[N(HU)M]Q[IV(I+A
T
)G(I+A)J]N
=N(I+A
T
)G(I+A)JN+[N(HU)M]Q[I{J
1
Q
1
}J]N
=N(I+A
T
)G(I+A)JN+[N(HU)M]JN=[NBM]JN (A8)
DOI: 10.1002/nme
Finally, substitution of (A3), (A5), (A7), (A8) into (A1) leads to the computationally attractive
presentation for the algorithmic consistent tangent moduli

G
t
based on only single matrix inversion:
G
t
=GG(I+A)JV(I+A
T
)G
G(I+A)JN [N(NBM)JV](I+A
T
)G
(NBM)JN
(A9)
APPENDIX B: ANALYTIC SOLUTION OF THE PROBLEM OF RADIAL POLING OF A
FERROELECTRIC CYLINDER
The boundary value problem of an initially unpoled innitely long hollow cylinder (see Figure 5)
poled by a continuously increasing radially applied electric eld is considered. Isotropic material
properties and uncoupled pure ferroelectric behavior are assumed. The boundary conditions are
specied for the electric scalar potential on inner radius [(a)=[
0
>0 and outer radius [(b)=0.
The general solution of D=0 in the axisymmetrical case D=e
r
D
r
(r) is
D
r
=
C
r
(B1)
where D notes the electric displacement vector, r and e
r
are the radial coordinate and the corre-
sponding unit basic vector of a cylindrical coordinate system, C represents an integration constant.
The integration of the constitutive equations for ferroelectric material (11)
2
, (14), (10)
2
, (152)
leads to the relations:
D
r
=
_
E
r
, |E|E
0
E
r
+P
r
r
, |E|E
0
(B2)
P
r
r
=|P
r
| =P
0
1
_
1+
m
e
1
H
e
P
0
(|E|E
0
)
_
1/(m
e
1)
, m
e
=1
1e
(|E|E
0
)/(H
e
P
0
)
, m
e
=1
(B3)
where E
r
and P
r
r
are radial components of the electric eld vector E=e
r
E
r
(r) and polarization
vector P
r
=e
r
P
r
r
(r). The equations |E| =E
r
and |P
r
| =P
r
r
are valid for the considered case [
0
>0.
The partial case of (B3) for m
e
=2 is considered in [6].
Under the additional assumption of small saturation |P
r
| P
0
or equivalently
|E|E
0
H
e
P
0
, Equations (B2)(B3) can be simplied to
D
r
=
E
r
, |E|E
0
E
r
+
|E|E
0
H
e
, |E|E
0
(B4)
Note that the constitutive equations (B4) are independent from material constants m
e
and P
0
in
opposite to (B2)(B3).
DOI: 10.1002/nme
Substitution of (B1) and E=[ (with assumptions [=[(r) and [
(r)=d[/dr<0) into (B4)

leads to the differential equations
[
=
C
r
, [
E
0
[
+
[
E
0
H
e
=
C
r
, [
E
0
(B5)
The boundary conditions in the problem are [(a)=[
0
and [(b)=0. At the outer radius of the
switched zone r
f
, the potential [ must be continuous and the switching condition has to be
satised. Hence, we obtain the following solutions of the differential Equations (B5):
[=
[
0
_
1
lnr/a
lnb/a
_
, [
0
[
(no switching)
E
0
r
f
lnr/b,
[
0
E
0
H
e
+1
(r a+H
e
r
f
lnr/a),
[
[
0
[
, rr
f
[
[
0
[
, rr
f
(partial switching)
[
0
_
1
lnr/a
lnb/a
_
E
0
(ba)
H
e
+1
_
r a
ba

lnr/a
lnb/a
_
, [
0
[
(total switching)
(B6)
where
[
=E
0
a lnb/a (B7)
is the potential at the beginning of switching and
[
=
E
0
H
e
+1
(ba+bH
e
lnb/a) (B8)
is the potential at the disappearance of the unswitched zone (the whole cross-section is switched).
The outer radius of the switched zone r
f
is dened from the nonlinear algebraic equation
E
0
H
e
+1
_
r
f
a+r
f
H
e
ln
b
a
r
f
ln
r
f
b
_
=[
0
(B9)
Finally, the electric eld E
r
=[
is dened by the differentiation of (B6):

E
r
=
[
0
r lnb/a
, [
0
[
(no switching)
E
0
r
f
r
,
E
0
r
f
r
H
e
H
e
+1
+
E
0
H
e
+1
,
[
[
0
[
, rr
f
[
[
0
[
, rr
f
(partial switching)
1
r lnb/a
_
[
0
E
0
(ba)
H
e
+1
_
+
E
0
H
e
+1
, [
0
[
(total switching)
(B10)
DOI: 10.1002/nme
ACKNOWLEDGEMENTS
The authors are grateful to Peter Neumeister for many helpful discussions on this topic. We would also like
to thank Stephan Roth for the discussion concerning numerical results of the scalar potential formulation.
This work is supported by the German Research Foundation (DFG).
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Return Mapping Algorithms and Consistent Tangent Operators in Ferroelectroelasticity

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Return Mapping Algorithms and Consistent Tangent Operators in Ferroelectroelasticity

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INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING

Int. J. Numer. Meth. Engng 2010; 81:12981340

are material tensors characterizing mechanical stiffness, piezoelectricity, and

can depend on internal variables e

1 and B are symmetric and positive denite for convex

R and yields an expression for dC

R) instead of the general case 1(

(r)=d[/dr<0) into (B4)

is dened by the differentiation of (B6):

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