A Comparative Study of Stress Update Algorithms For Rate-Independent and Rate-Dependent Crystal Plasticity

INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING
Int. J. Numer. Meth. Engng 2001; 50:273298

A comparative study of stress update algorithms
for rate-independent and rate-dependent crystal plasticity
Christian Miehe
,
and J org Schr oder
Institut f ur Mechanik (Bauwesen) Lehrstuhl I, Universit at Stuttgart, 70550 Stuttgart, Pfaenwaldring 7, Germany
SUMMARY
The paper presents a comparative discussion of stress update algorithms for single-crystal plasticity at small
strains. The key result is a new unied fully implicit multisurface-type return algorithm for both the rate-
independent and the rate-dependent setting, endowed with three alternative approaches to the regularization
of possible redundant slip activities. The fundamental problem of the rate-independent theory is the possible
ill condition due to linear-dependent active slip systems. We discuss three possible algorithmic approaches
to deal with this problem. This includes the use of alternative generalized inverses of the Jacobian of the
currently active yield criterion functions as well as a new diagonal shift regularization technique, motivated by
a limit of the rate-dependent theory. Analytical investigations and numerical experiments show that all three
approaches result in similar physically acceptable predictions of the active slip of rate-independent single-
crystal plasticity, while the new proposed diagonal shift method is the most simple and ecient concept.
Copyright ? 2001 John Wiley & Sons, Ltd.
KEY WORDS: constitutive integration algorithm; crystal plasticity; multisurface plasticity; redundant systems
1. INTRODUCTION
This article presents a comparative discussion of stress update algorithms for single-crystal plasticity
at small strains and considers aspects of its nite-element implementation. The key result is a new
unied fully implicit multisurface-type return algorithm for both the rate-independent and the rate-
dependent setting, endowed with three alternative approaches to the regularization of possible
redundant slip activities.
The description of the phenomenological response of crystalline solids is based on the well-
established so-called continuum slip theory, see e.g. Mandel [1], Havner [2], and references therein.
In the small strain format, one assumes locally an additive decomposition of the total strains into
a plastic part solely due to the plastic slip on given crystallographic slip planes and an elastic part
Correspondence to: Christian Miehe, Institut fur Mechanik (Bauwesen), Universit at Stuttgart, Lehrstuhl I,
Pfaenwaldring 7, 70569 Stuttgart, Germany
E-mail: cm@mechbau.uni.stuttgart.de
Contract}grant sponsor: Deutsche Forschungsgemeinschaft; contract}grant number: SFB 404}A8
Received 29 October 1998
Copyright
?
2001 John Wiley & Sons, Ltd. Revised 12 November 1999
274 C. MIEHE AND J. SCHR
ODER
which describes the lattice distortion. It is well known that the single-crystal plasticity can be recast
into the mathematical framework of multisurface plasticity as outlined for example in the works of
Koiter [3] and Mandel [1]. In this format, the multiple constraints are the yield criterion functions
on the given crystallographic slip planes. In contrast to standard formulations of multisurface
plasticity, the constraints can be linearly dependent or redundant. This results in a possible non-
uniqueness of the set of active systems for a given deformation mode, see also Taylor [4], Kocks [5]
and Havner [2] for a discussion of this point. In order to circumvent this problem, many authors
have applied rate-dependent formulations based on power-type creep laws without dierentiation
of slip systems into active and inactive sets via loading functions. These formulations without
an elastic domain have been applied as a numerical regularization technique even in situations
where rate dependency is a physically negligible eect. We refer in this context to the numerical
implementations of rate-dependent single-crystal plasticity documented in Peirce et al. [6, 7], Asaro
and Needleman [8], Mathur and Dawson [9], Becker [10], Steinmann and Stein [11], among others.
The recent research on computational single-crystal plasticity focuses on formulations with an
elastic domain and in particular the rate-independent theory. We refer in this context to the refer-
ences Cuiti no and Ortiz [12], Borja and Wren [13], Anand and Kothari [14] and Miehe [15, 16].
These developments dier in the following format. Cuiti no and Ortiz [12] propose an algorithmic
setting for a multisurface-type viscoplastic model with elastic domain. Here, the problem of redun-
dant constraints does not occur, due to the viscoplastic regularization eect. Borja and Wren [13]
propose a so-called ultimate algorithm for the rate-independent theory which follows the succes-
sive development of active slip within a typical discrete time interval. Anand and Kothari [14]
solve the system of redundant constraints of rate-independent single-crystal plasticity by the use of
a generalized inverse on the basis of the singular-value decomposition of the Jacobian of the active
yield criterion functions. This approach meets least-square-type optimality conditions by minimiz-
ing the plastic dissipation due to the slip activities. Motivated by this development, Schr oder and
Miehe [17] have proposed an alternative general inverse where the reduced space is obtained by
dropping columns of the local Jacobian associated with zero diagonal elements within a standard
factorization procedure.
In this paper we focus on aspects of stress update algorithms for rate-independent single-crystal
plasticity which extend the results of the work cited above. The underlying concept of this paper
is a comparison of the rate-independent formulation with the rate-dependent approach on the basis
of an elastic domain as used in Cuiti no and Ortiz [12]. Clearly, the case of the rate-independent
theory can be motivated by a limit process from the rate-dependent theory, e.g. for very slow
processes or a vanishing viscosity. In order to achieve this limit process within the algorithmic
setting, we construct a unied implicit stress update algorithm in the multisurface format which
covers both the rate-independent and the rate-dependent theory. The proposed algorithm provides
the basis for a careful analysis of the above-mentioned limit process which we perform for a
representative model problem with two redundant slip activities. This consideration motivates a
further new regularization approach of the possibly singular local Jacobian of the rate-independent
theory by means of a simple diagonal shift. It turns out that this new approach is the most ecient
treatment of algorithmic implementations of rate-independent single-crystal plasticity, compared
with the approaches proposed by Anand and Kothari [14] and Schr oder and Miehe [17] based
on the application of general inverses of the local Jacobian. We include all three alternative
regularization techniques as sub-tools in the proposed unied stress update algorithm.
The paper is organized as follows. In Section 2 we summarize the constitutive equations
of single-crystal plasticity in the multisurface format for both the rate-independent and the
Copyright ? 2001 John Wiley & Sons, Ltd. Int. J. Numer. Meth. Engng 2001; 50:273298
A COMPARITIVE STUDY OF STRESS UPDATE ALGORITHMS 275
rate-dependent setting. With regard to an application to the analysis of f.c.c. crystals we take
into account elastically cubic symmetry. Furthermore, we consider a classical constitutive harden-
ing model as suggested by Kocks [5], Hutchinson [18], Chang and Asaro [19] and others. The
rate-dependent constitutive formulations for the plastic slip are based on formulations used by
Perzyna [20] and Cuiti no and Ortiz [12].
Section 3 is concerned with the construction of the above-mentioned unied stress update algo-
rithm for single-crystal plasticity at small strains. The algorithm is endowed with a straightforward
robust active set search for the detection of the current active slip systems, allowing the application
of large time steps. Section 4 investigates in detail the three alternative regularization techniques
which become a crucial part of the unied stress update algorithm. These sub-tools provide a
physically acceptable method of handling the possibly ill-conditioned or singular Jacobian of the
local consistency conditions in the rate-independent limit. A main goal of this part of the paper
is an analysis of the physical origins of this behaviour. We therefore investigate in detail an an-
alytical model problem with two linearly dependent slip systems and consider the consequences
of the transition from the rate-dependent to the rate-independent setting, as well as the response
of the three regularization techniques considered. For this problem it can be shown that redundant
constraints appear in particular for the case of isotropic Taylor-type hardening.
Finally, we demonstrate in Section 5 the performance of the proposed algorithms for two rep-
resentative numerical examples. The rst example considers a simple shear test with dierent
orientation of the f.c.c. unit cell and records the dierent current slip activities for the case of the
rate-independent and the rate-dependent setting. The second example is concerned with the tension
of a strip under plane strain conditions and compares the eciency of the proposed alternative
algorithmic approaches. In summary, it turns out that all the three regularization techniques for
the rate-independent setting considered yield the same physical result, which coincides in the limit
with the viscoplastic formulation. Here, the proposed new diagonal shift method appears to be the
most ecient approach.
2. THE CONSTITUTIVE FRAME OF SINGLE-CRYSTAL PLASTICITY
In this section we summarize the constitutive framework of single-crystal plasticity at small strains
within the continuous setting. Here, we consider successively both the rate-independent elastoplastic
setting and the rate-dependent elastoviscoplastic setting.
2.1. Rate-independent single-crystal plasticity
Let BR
3
be the body of interest and u : BR
3
a given displacement eld. The linear strain ten-
sor U =sym[u] is by denition the symmetric part of the displacement gradient and we consider
its additive decomposition
U =U
e
+ U
p
(1)
into elastic and plastic parts U
e
and U
p
, respectively. The latter remains after stress relaxation.
2.1.1. Free energy function and stress response. The elastic response of a crystalline solid is
governed by lattice deformations and by local inhomogeneous deformation elds due to dislocations
ODER
and point defects. A general anisotropic linear elastic response of the solid is provided by the
representation
macro
(U
e
) =
1
2
U
e
: C
e
: U
e
(2)
of the free energy function governed by a fourth-order tensor C
e
of elasticity moduli. The stresses
in the crystalline solid are then given by the hyperelastic function
A =c
U
e

macro
(U
e
) =C
e
: U
e
(3)
With regard to an application to f.c.c. crystals, we focus in our treatment on the case of cubic
elastic symmetry. Here, the fourth-order tensor of elastic moduli take the form
C
e
=C
ei)k!
e
i
e
)
e
k
e
!
(4)
in the cartesian base e
i
i=1, 3
aligned to the cubic crystal. The matrix representation of the
coecients is
C
ei)k!
=
_
_
C
11
C
12
C
12
C
12
C
11
C
12
C
12
C
12
C
11
C
44
C
44
C
44
_
_
(5)
see e.g. Hosford [21]. In the case of elastic isotropy we have the identication
C
11
= +
4
3
j, C
12
=
2
3
j, C
44
=j (6)
in terms of the bulk modulus and the shear modulus j.
2.1.2. Yield criterion functions and ow rule. In the framework of rate-independent single-crystal
plasticity we consider a non-smooth convex elastic domain in the stress space
E=(A, q
:
) [

[
:
(A, q
:
)60 for : =1, 2, . . . , m (7)
based on m-independent ow criterion functions
[
:
(A, q
:
) = t
:
(A) q
:
for : =1, 2, . . . , m (8)
These ow criterion functions are formulated in terms of the Schmid resolved shear stresses
t
:
:=A : P
:
with P
:
:=sym(s
:
m
:
) (9)
on a typical slip system :. The slip system : is dened by orthonormal vectors (s
:
, m
:
) which
dene the slip direction and the slip normal, respectively. q
:
denotes the current slip resistance
on the slip system :. The evolutions of these resistances within a multislip deformation process
of the crystal start from the so-called critical resolved shear stress t
0
and are governed by the
hardening equations
q
:
=
m
[=1
h
:[
z
[
with q
:
(t =0) =t
0
(10)
Table I. Multislip single-crystal-plasticity.
U
e
:=sym[u] U
p
1. macro stress A =C
e
: U
e
2. Schmid stress t
:
=A : P
:
with P
:
:=sym(s
:
m
:
)
3. ow criteria [
:
=t
:
q
:
for : =1, . . . , m
4. ow rule U
p
=

m
:=1
z
:
P
:
5. evolution

A=

m
:=1
z
:
6. hardening q
:
=

m
[=1

h(A)
_
q + (1 q)o
:[
_
z
[
7. loading z
:
0,

[
:
60, z
:
[
:
=0
_
viscoplastic z
:
=
1
p
__
[
:+
q
:
+ 1
_
p
1
__
in terms of the plastic slip rates z
:
on the slip systems :. Here, h
:[
are denoted as the hardening
moduli. A classical assumption is
h
:[
=

h(A) [q + (1 q)o
:[
] (11)
as suggested by Hutchinson [18], Peirce et al. [6]. Here, A is a strain-like internal variable for the
description of the internal hardening state of the crystal on average. It is the sum of the accumulated
plastic slip on all slip systems. The parameter q [1, 1.4] species the type of hardening behaviour
and has been specied for f.c.c. crystals by Kocks [5] on the basis of experimental investigations.
For q =1 we obtain the so-called isotropic or Taylor-type hardening. A specic form of the
function

h(A) in terms of the critical resolved shear stress t
0
, a saturation strength t
s
and the
initial hardening modulus h
0
has been proposed by Chang and Asaro [19]
h(A) =h
0
sech
2
_
h
0
A
t
s
t
0
_
(12)
For an overview of alternative constitutive hardening functions we refer to Cuiti no and Ortiz
[12]. The evolution equations of the plastic strains U
p
and the strain-like internal variable A in
rate-independent single-crystal plasticity take the typical form
U
p
=
m
:=1
z
:
P
:
and

A=
m
:=1
z
:
(13)
of multisurface plasticity, where the plastic parameters z
:
for each slip system : are determined
by the KuhnTucker-type loading conditions
z
:
0,

[
:
60, z
:

[
:
=0 (14)
The constitutive set of small-strain single-crystal plasticity is summarized in Table I. Note that
we dene slip systems for each possible slip direction, for example 2 12 systems for a typical
f.c.c. crystal. Insertion of (13)
1
into the rate equation for stresses (3) yields with denition (9)
2
the form
A =C
e
: U

:A
z
:
(C
e
: P
:
) (15)
ODER
Here, we denote with A the currently active set of slip systems with z
:
0. The active plastic
parameters z
:
are computed from the consistency conditions
[
:
=P
:
: A q
:
=0 for : A (16)
The insertion of (15) and (10)
1
then yields the rate equation for the stresses
A =C
ep
: U (17)
in terms of the continuous elastoplastic tangent moduli
C
ep
:=C
e

:A
[A
D
:[1
(C
e
: P
:
) (P
[
: C
e
) (18)
in terms of the denition
D
:[
:=P
:
: C
e
: P
[
+ h
:[
(19)
The inversion of D
:[
needed in (18) is a problem in the case of redundant constraints and com-
mented on in Section 4.
2.2. Rate-dependent single-crystal plasticity
In the rate-dependent formulation we replace the KuhnTucker-type loading conditions (14) by
a constitutive viscose evolution equation for the plastic slip on the slip systems :. A classical
viscoplastic form is provided by the structure
z
:
=
1
p
__
[
:+
q
:
+ 1
_
p
1
_
(20)
where p represents the viscosity parameter and a strain-rate-sensitivity exponent, see e.g.
Perzyna [20] and references therein. The overstress functions [
:+
in (20) are dened by
[
:+
:=
_
[
:
if [
:
0
0 otherwise
(21)
Insertion of (20) into (15) then gives the representation of the stress rate
A =C
e
: U
m
:=1
1
p
__
[
:+
q
:
+ 1
_
p
1
_
(C
e
: P
:
) (22)
for the case of rate-dependent inelastic response.
Formulation (20) is identical to the power-type viscosity law used in Cuiti no and Ortiz [12]
z
:
=
_
_
z
0
__
t
:
q
:
_
p
1
_
if t
:
q
:
0 otherwise
(23)
with z
0
:=1}p. An alternative widely used classical creep-type formulation for the evolution of the
slip is the power law given by Pierce et al. [7]
z
:
=
_
_
z
0
_
t
:
q
:
_
p
if t
:
0
0 otherwise
(24)
where z
0
:=1}p denotes a reference slip rate. The ansatz represents a formulation of crystal plastic-
ity without an elastic domain. Observe carefully that this formulation in contrast to (20) and (23)
does not distinguish between active and inactive slip-systems. Equation (24) only dierentiates be-
tween positive and negative slip directions by forcing the plastic slip to be non-negative. It is there-
fore identical to the power law of the form z
:
=z
0
sign(t
:
) ([t
:
[}q
:
)
p
used by Hutchinson [18].
In this paper we dene slip systems for each possible slip direction. As an example, we introduce
2 12 systems for a typical f.c.c. crystal. Then (24) denes an active set of 12 slip systems in
the sence A=: [ sign(t
:
) =+1.
3. STRESS UPDATE ALGORITHMS FOR SINGLE-CRYSTAL PLASTICITY
We now consider the algorithmic counterpart of the single-crystal plasticity models outlined above
by constructing multi-surface-type stress update algorithms. Here, we follow conceptually the work
of Luenberger [22], Sim o et al. [23], Cuiti no and Ortiz [12], Ortiz and Stainier [24] and Miehe
[15, 16]. We rst consider the rate-independent case and then discuss the modications for the
rate-dependent case. The key aspect is the treatment of the redundant constraints in the rate-
independent theory by means of a generalized-inverse approach and a comparison with viscoplastic-
regularization approaches.
3.1. Rate-independent formulation
The basis of the proposed algorithm is an implicit backward Euler update applied to the continuous
evolution equations. We consider a typical time interval [t
n
, t
n+1
] R
+
and assume that all variables
at time t
n
are known. An application of the backward Euler scheme to the evolution equations in
Table I yields the system
U
p
= U
p
n
+
m
:=1
:
P
:
A = A
n
+
m
:=1
:
q
:
= q
:
n
+
m
[=1
h(A)
_
q + (1 q)o
:[
_
:
0,

[
:
60,
:

[
:
=0
(25)
with the incremental plastic parameters
:
:=z
:
(t
n+1
t
n
) on each slip system :. The initial condi-
tions are U
p
=0, A=0 and q
:
=t
0
at the beginning of the process. In what follows, all variables
without subscript are assumed to be evaluated at time t
n+1
. A straightforward algebraic manipula-
tion of (25)
1
yields the update
U
e
=U
e

m
:=1
:
P
:
(26)
where U
e
:=UU
p
n
denotes a trial value of the elastic strains. Based on these elastic trial strains we
compute the associated trial stresses A
:=C
e
: U
e
and the resolved trial shear stresses t
:
=A
: P
:
ODER
on each slip system :. For
[
:
:=A
: P
:
q
:
n
0 : S (27)
the step is elastic. If Equation (27) is violated for slip systems : S the step is elasto-plastic.
In the above expression, S:=1, . . . , m denotes the set of possible slip systems. As already
mentioned above we introduce for a typical f.c.c. crystal m=2 12 =24 possible slip systems by
dierentiating between positive and negative directions.
3.1.1. Update of plastic slip at given active set. If the ow criterion functions are violated in the
sense [
:
0 for some : S, we have to satisfy the plastic consistency conditions. The main
problem in this context is that the set of active slip systems
A:=: S[
:
0 and [
:
=0 (28)
at the end of the time interval is not a priori known and not uniquely determined by the trial
state. Thus we have to perform an iterative active set search procedure, which we comment on in
the Section 3.1.2 below.
Assume at this stage of the investigation the set A of active slip systems as given. We then com-
pute for all : A the actual incremental parameters
:
from the associated consistency conditions.
Based on the representation of the stresses
A =C
e
: U
e
with U
e
=U
e

m
:=1
:
P
:
(29)
the consistency conditions can be recast in the form
r
:
:=[
:
=A : P
:
q
:
=0 for : A (30)
The solution of these conditions r
:
(U
e
,
[
) =C
e
: U
e
[A
[
P
:
: C
e
: P
[
q
:
=0 for the plastic
parameters
:
at frozen trial value U
e
of the elastic strains is performed by a local Newton iteration
based on the linearization
r
:
D
:[
[
=0 for (:, [) A (31)
of (30) with the Jacobian matrix
D
:[
:=
cr
:
c
[
=P
:
: C
e
: P
[
+ h
:[
(32)
Here, we have introduced the hardening moduli
h
:[
:=
cq
:
c
[
=

oA
_
q + (1 q)o
:o
__
h(A)o
o[
+

h
(A)
o
_
(33)
with the notation

h
:=d
h}dA. The resulting update formula for the plastic parameters appears in
the form
:

:
+
:
with
:
=D
:[1
r
[
(34)
for the currently active slip systems, i.e. for (:, [) A. The computational steps of the local
Newton iteration outlined above have to be repeated until convergence is obtained in the sense
[r[ :=
_

:A
r
: 2
6tol (35)
Alternative approaches to the update (34)
2
of the incremental slip in the case where the Jacobian
D
:[
is ill-conditioned or singular are commented on in the Section 4 below.
3.1.2. Update of the active set of slip systems. The above outlined Newton iteration for the deter-
mination of the plastic slip is embedded into the following iterative procedure for the determination
of the active set A of slip systems, which enforces the KuhnTucker-type loadingunloading con-
ditions (25)
4, 5
. We start with the rst estimate
A=A
n
(36)
by assuming that the active set at time t
n+1
coincides the one of the previous time step at time
t
n
. If it turns out that this assumption contradicts constraints (25)
4, 5
, we clear the active set and
restart the active set iteration with the condition
Initialization: A= (37)
Slip systems are then loaded or removed successively one after the other. Here, each single change
of the active set is accompanied by the Newton iteration for the incremental slip outlined in the
subsection above. After consistency has been restored in the sense of the convergence argument
(35) for a currently assumed active set, we successively check the conditions (25)
4
and (25)
5
by
means of the following update procedure.
If some parameters
:
for : A violate the discrete loading conditions (25)
4
in the sense
:
60,
we drop the minimum loaded system(s) from the active working set
Update I: A A}(: :=arg[min [
:
] A) (38)
and restart the local Newton iteration with the initialization
:
=0 for all : A.
Having obtained a converged solution of an active working set with
:
0 for all : A, we
check the condition (25)
5
by monitoring the yield criteria of the non-active systems. For some
violations in the sense [
:
0 with : S}A, we add the maximum loaded system(s) which has
not been previously in the active set, i.e.
Update II: AA(: :=arg[max [
:
] S}A) (39)
and restart the local Newton iteration with the initialization
:
=0 for all : A. Otherwise we
terminate the local iteration.
This update procedure, summarized in Table II, turned out to be a save scheme to handle the
complex structural changes of the slip activity with sucient accuracy for reasonable time steps,
compared with alternative active set searches where the working set is updated during the local
Newton iteration. See also Section 5.1, where the accuracy for dierent choices of the time step
is investigated. The sucessive release of the constaints starting with the initialization (37) is in
the spirit of the algorithm proposed by Cuiti no and Ortiz [12], see also the recent work Ortiz
and Stainier [24]. It avoids stress oszillations which may occur if one starts with an estimate of
the active set deduced from violations of the yield functions associated with the trial state as
considered for example in Miehe et al. [25].
ODER
Table II. Unied stress update algorithm for crystal plasticity.
(i) Elastic predictor check
Database {U, U
p
n
, A
n
, q
:
n
, A
n
} and projection tensors P
:
:=sym(s
:
m
:
) are given. Compute trial elas-
tic strains U
e
:=U U
p
n
and trial stresses A
:=C
e
: U
e
. Evaluate for all : S trial yield functions
[
:
:=A
: P
:
q
:
n
. If ([
:
6tol : S) set U
p
=U
p
n
, A=A
n
, q
:
=q
:
n
, A =A
, C
ep
=C
e
, A=
and exit.
(ii) Determination of active slip
1. Initialize active set iteration counter i
set
=0 and trial set A=A
n
.
2. Set i
set
i
set
+ 1. If(i
set
=2 and A
n
= ) clear active set A=.
3. Set initial values for plastic slip iteration
:
=0: S.
4. Update elastic strains U
e
=U
e
m
:=1

:
P
:
and A=A
n
+
m
:=1

:
.
5. Get current stresses A =C
e
: U
e
and compute for active slip systems :, [ A:
r
:
= A : P
:
q
:
_
p
t
:
+ 1
D
:[
= P
:
: C
e
: P
[
+ h
:[
_
p
t
:
+ 1
_
1}
+ q
:
o
:[
p
t
_
p
t
:
+ 1
_
1}1
with q
:
=q
:
n
+
[A
h(A)
_
q+(1q)o
:[
_
[
and h
:[
=
oA
_
q+(1q)o
:o
_
[
h(A)o
o[
+
(A)
o
].
6. Try factorization D=ldu. If (|d
:
|c :=min C est o
1
) for one : A compute inverse based
on alternative strategies:
(i) sinqu!ar va!ue decomosition :

D
1
:=V

1
U
T
(ii) ansat: in reduced sace :

D
1
:=

D
T
{

D
T
D}
1
D
T
(iii) diaqona! shi[t method :

D
1
:=(D + c1)
1
Else set

D
1
=D
1
based on standard inversion.
7. Update incremental plastic slip
:

:
+
:A
D
:[1
r
[
8. If
_
_
:A
r
: 2
tol
_
go to 4.
9. Update I of slip activity: If (
:
60 for some : A) drop minimum loaded system(s) A
{A}(: :=arg[min [
:
] A)} and go to 2.
10. Update II of slip activity: If ([
:
0 for some : S}A) add maximum loaded system(s)
A{A(: :=arg[max [
:
] S}A)} and go to 2.
(iii) Consistent tangent-moduli
C
ep
:=C
e

:A
[A
D
:[1
(C
e
:P
:
) (P
[
:C
e
)
3.1.3. Algorithmic elastoplastic moduli. The algorithmic expression for the stresses is obtained
by insertion of (26) into (3) and yields the form
A =C
e
: U
e

:A
:
(C
e
: P
:
) (40)
From the consistency conditions r
:
(U
e
,
[
) =0 in (30) we derive the relationship
c
:
cU
e
=D
:[1
(P
[
: C
e
) (41)
Based on this result, the algorithmic elastoplastic moduli which govern the increment of the stresses
A =C
ep
: U with C
ep
:=c
U
A =c
U
eA (42)
are obtained in a straightforward manner and take the form
C
ep
:=C
e

:A
[A
D
:[1
(C
e
: P
:
) (P
[
: C
e
) (43)
For elastically isotropic material response the moduli appear in the simple form
C
ep
:= 1 1 + 2jP 4j
2

:A
[A
D
:[1
P
:
P
[
(44)
in terms of the bulk modulus and the shear modulus j, respectively. P:=I
1
3
1 1 is the
fourth-order deviatoric projection tensor. In the case of an ill-conditioned or singular Jacobian
D
:[
due to redundant constraints, the inverse D
:[1
is replaced by a generalized inverse

D
:[1
which we introduce in Section 4 below. Observe that the algorithmic moduli C
ep
degenerate to
the continuous moduli C
ep
dened in (18) for t
n+1
t
n
0 due to the limit D
:[
D
:[
in the
case of plastic loading.
3.2. Modications for rate-dependent viscoplastic response
In this section we point out the modications which have to be taken into account, if the rate-
dependent formulations of single-crystal plasticity outlined in Section 2.2 are applied. The time
integration of formulation (20) in a typical time interval yields the incremental slip
:
=
t
p
__
[
:+
q
:
+ 1
_
1
_
(45)
These equations replace the KuhnTucker-type loading conditions (25)
4
of the rate-independent
formulation. A reformulation of (45) leads to the set of equations
[
:+
q
:
_

_
p
t
:
+ 1 1
_
=0 for : A (46)
Insertion of the active ow criterion functions yields the equation
r
:
:=t
:

[A
[
P
:
: C
e
: P
[
q
:
_
p
t
:
+ 1 =0 (47)
These equations represent a modication of the rate-independent consistency equations (30),
denoted here as quasi-consistency conditions. They have to be satised for all active slip sys-
tems : A and can be solved for the plastic parameters
:
at frozen elastic trial strains by a local
Newton iteration. We obtain the identical update formula as given in (34). The only modication
concerns the Jacobi matrix D
:[
in (32), which now takes the modied form
D
:[
vis
=P
:
: C
e
: P
[
+ h
:[
_
p
t
:
+ 1
_
1}
+ q
:
o
:[
p
t
_
p
t
:
+ 1
_
1}1
(48)
ODER
in terms of the hardening moduli h
:[
dened in (33). Observe carefully that we obtain in the
algorithmic setting for the rate-dependent case a formally identical representation for the stress
rate as for rate-independent case (42)
1
. This is in contrast to the continuous formulations (17)
and (22). This fact allows us to analyse within the algorithmic setting the rate-independent case
as a limit case of the rate-dependent case, an observation which is of high importance for the
subsequent treatment in Section 4.1.3. We obtain the limit C
ep
vis
C
ep
for D
:[
vis
D
:[
. This is
obtained for p 0, or t , i.e. for vanishing viscosity, high power-law exponents or
large algorithmic time steps.
4. TREATMENT OF ILL-CONDITIONED AND SINGULAR LOCAL JACOBIANS
In the case of multislip the constraints of the multisurface framework outlined above are possibly
redundant. This eect occurs in the case of the rate-independent theory under particular hardening
situations. As pointed out in the model problem below, the eect occurs in particular in the case
of ideal plastic and Taylor-type isotropic hardening. As a consequence, the continuous Jacobian
(19) as well as the algorithmic Jacobian (32) becomes ill-conditioned or singular. Our subsequent
considerations focus on the Newton equation (31) which we here represent in the matrix form
DS =r with DR
nn
, S R
n
, r R
n
(49)
in terms of the Jacobian D and the incremental plastic slip vector S. Here, n6m}2 is the number of
currently active slip systems. In Section 4.1 we discuss physically motivated special solutions for
the incremental slip S for the case where D is ill-conditioned or singular. The rst two approaches
are based on the introduction of general inverse matrices which meet optimality conditions. The
third approach is a simple perturbation technique motivated by the rate-dependent setting of crystal
plasticity. Section 4.2 analyses a simple model problem and discusses the physical consequences
of the three regularization methods mentioned above.
4.1. Regularization techniques
4.1.1. Generalized inverse based on singular-value decomposition. The application of singular-
value decomposition to the problem of redundant constraints in rate-independent single-crystal
plasticity has been proposed by Anand and Kothari [14]. A singular-value decomposition of the
matrix D in (49) has the form
D=UV
T
(50)
where UR
nn
and VR
nn
are orthogonal matrices and R
nn
is a diagonal matrix
=diag[o
1
, o
2
, . . . , o
n
] with o
1
o
2
o
n
0 (51)
The decomposition is unique, see for example Golub and Van Loan [26] or Press et al. [27].
Formulation (50) is consistent with the two spectral decompositions
DD
T
=U
2
U
T
and D
T
D=V
2
V
T
(52)
As a consequence, the columns u
:
:=1, ..., n
of U and v
:
:=1, ..., n
of V can be computed from the
special eigenvalue problems
DD
T
u
:
=o
:2
u
:
and D
T
Dv
:
=o
:2
v
:
(53)
associated with the symmetric matrices DD
T
and D
T
D, respectively. We denote the eigenvalues
o
:
:=1, ..., n
as the singular values of D. The :th columns u
:
and v
:
of U and V are denoted as
the :th left singular vector and the :th right singular vector of D. For the case where D is a
symmetric matrix, we have the situation U=V.
Firstly, the singular value decomposition (50) can be used for an accompanying check of the
condition of the matrix D. The inverse condition number C is computed from the singular-values
dened in (51) by
C :=o
n
}o
1
for o
1
0 (54)
and we have the situation C 0 for the case of a singular matrix D. Secondly, a generalized
inverse can be constructed as follows. The insertion of the decomposition (50) into (49) yields
the spectral form of the Newton equation
o
:
:
s
=r
:
s
for : =1, . . . , n (55)
based on the vector transformations S
s
=V
T
S =

n
:=1

:
s
v
:
and r
s
=U
T
r =

n
:=1

:
s
u
:
. We con-
sider Equation (49) with the spectral counterpart (55) as ill-conditioned or singular for
o
:
c with c :=minCo
1
(56)
where min C is a machine-dependent admissible minimum inverse condition number which is
assumed to be given. Restriction (56) denes the numerically admissible range r6n of the matrix
D in the sense
o
1
o
2
o
r
c and o
r+1
o
r+2
o
n
0 (57)
A special solution of an ill-conditioned or singular system (49) is then obtained in the spectral
form

:
s
= o
:1
r
:
s
for : =1, . . . , n (58)
based on the denition
o
:1
:=
_
1}o
:
for o
:
c
0 otherwise
(59)
Thus the incremental slip
:
s
:=r+1, ..., n
associated with the null space of D have been simply set
to zero. Based on (59) one computes the generalized inverse
D
1
:=V

1
U
T
(60)
where the diagonal matrix

1
contains the singular values dened in (59). The special solution
of (49) is then
S =

D
1
r (61)
As pointed out in Press et al. [27], the approach (61) is a unique solution of system (49) for
the case where the vector r lies in the range of D. Then the special solution S in (58) and
(61) minimizes the norm of all possible solutions in the sense [ S[ =min[ S + o S[ where o S is a
perturbation of the solution which lies in the null space of D. For positive slip
:
s
0 we realize
ODER
at once that this condition is identical to a minimization of the plastic power, which in the case
of ideal plasticity takes the form
D:=

:A
t
:
:
}t0 with t
:
=constant (62)
Taking this interpretation into account, the special solution (61) can be considered as a physically
well-motivated result. In the case where the right-hand vector r is not in the range of the matrix
D, system (49) and (55) has no solution. Then the special solution (61) minimizes the residual
expression [D S r[ =min[D( S + S) r[ in the least-square sense, where S is a perturbation of
the solution which lies in the range of D. Obviously, under the conditions discussed above this
results again in a minimization of expression (62) for the plastic power.
4.1.2. Generalized inverse based on an ansatz in a reduced space. An alternative approach for
the setup of a general inverse for the solution of the ill-conditioned or singular system (49)
can be obtained as follows. The range of the matrix DR
nn
is checked out during a standard
factorization process of the form
D
T
=ldu with d =diag[d
1
, d
2
, . . . , d
n
] (63)
where l R
nn
and u R
nn
are lower and upper tridiagonal matrices. During the factorization
process, we drop columns of D
T
with diagonal elements
[d
:
[c with c =minC est o
1
(64)
and introduce the rectangular matrix

D
T
R
nr
where r6n is the numerically admissible range
of the matrix D. The machine-dependent tolerance value c, computed similar to (56), is based
on the given admissible inverse condition number min C and the estmation est o
1
for the largest
eigenvalue. This estimation can be obtained by the maximum norm
est o
1
=|D|
= max
16:6n
_
n
[=1
[D
:[
[
_
(65)
The key idea then is that an unique solution for the incremental slips S can only be obtained in
the reduced space R
r
with r6n. We therefore introduce the ansatz
S =

D
T
S (66)
for the special solution of the redundant plastic slips. The insertion of this ansatz into a least-
square-type minimization problem yields
min[

D S r[ with

D:=D

D
T
(67)
This problem has the solution
S =(

D
T

D)
1

D
T
r (68)
in the reduced space, where the matrix is usually denoted as the MoorePenrose pseudo-inverse
of

D. For known S, we then obtain a special solution S from the ansatz (66). This induces the
representation
D
1
=

D
T
(

D
T
D)
1

D
T
(69)
of the generalized inverse alternatively to (60), which avoids the spectral decompositions associated
with the singular-value-decomposition. Clearly, in the case where the range r of the matrix D is
identical to the dimension n, the generalized inverse reduces to the inverse of D.
4.1.3. Inverse based on a perturbation technique. A third possible approach to overcoming the
problem of the ill-conditioned or singular matrix in rate-independent single-crystal plasticity is
motivated by the limit of viscoplasticity. The local Jacobian (48) of the viscoplastic formulation
assumes the form
D=D + c1 with c =
q
:
p
t
0 (70)
for the case of ideal viscoplasticity at
:
=0. Here, 1 R
nn
is the identity matrix. Clearly, the
second term in (70) regularizes the matrix by shifting the singular values of the rate-independent
formulation in (57) in the sense
o
:
=o
:
+ c for : =1, . . . , n (71)
The basic idea is now to apply a constant shift of the form (70) to an ill-conditioned or singular
matrix D as a purely numerical perturbation. We therefore rst check in a standard factorization
procedure the diagonal elements by analogy with the preceding subsection. If we have
[d
:
[c with c =minC est o
1
(72)
for only one :, we apply the shift in (70) by using the above expression c as a perturbation. Here
est o
1
is an estimation of the largest singular value which can be obtained based on the estimation
(65). As a consequence of the shift, we then invert the now well-conditioned matrix Jacobian

D
in the sense
D
1
:=(D + c1)
1
(73)
based on a standard procedure. This is by far the simplest method of overcoming the problem of
an ill-conditioned matrix D.
4.2. Physical motivation. Analysis of a model problem
For an analysis of the performance of the local Newton iteration we consider the problem depicted
in Figure 1. It is a strip in tension with two perpendicular slip systems with an angle of 45
to
the tensile axis.
We assume a typical incremental step with a tensile stress 2o
associated with a given trial state,

yielding the resolved shear stresses t
1
=t
2
=o
on the two slip systems indicated in Figure 1. We

assume that the Schmid stresses exceed within the time step [t
n
, t
n+1
] under consideration the given
critical values q
1
n
and q
2
n
. Clearly, we then expect that the incremental slip
1
and
2
of the time
interval assume the identical values provided that the resistance to slip on each systems is the same.
These incremental slip are computed on the basis of the local Newton update Equation (34).
Taking into account the geometry depicted in Figure 1, we obtain the representation of residual (47)
r
:
=
_
_
o
j
_
1
+
2
_
q
1
_
p
t
1
+ 1
_
1}
o
j
_
1
+
2
_
q
2
_
p
t
2
+ 1
_
1}
_
_
(74)
ODER
Figure 1. Tension of a strip with perpendicular slip systems. The applied tensile stress 2o
yields
the identical Schmid stress t
1
=t
2
=o
on both systems. In the rateindependent case, where a singu-

lar Jacobian D
:[
appears, one expects for physical reasons an identical plastic slip on both systems.
This is provided by the three alternative regularizations of D
:[
discussed in Section 4.
and the local Jacobian matrix (48)
D
:[
=
_
j j
j j
_
+
_
h
11
_
p
t
1
+ 1
_
1}
h
12
_
p
t
1
+ 1
_
1}
h
21
_
p
t
2
+ 1
_
1}
h
22
_
p
t
2
+ 1
_
1}
_
+
_
q
1
p
t
_
p
t
1
+ 1
_
1}1
0
0 q
2
p
t
_
p
t
2
+ 1
_
1}1
_
(75)
for the model problem under consideration. Here, we have assumed elastically isotropic stress
response. The current critical shear stresses and hardening moduli take the form
q
:
=
_
q
1
n
q
2
n
_
+

h(A)
_
1
+ q
2
q
1
+
2
_
(76)
and
h
:[
=

h(A)
_
1 q
q 1
_
+

h
(A)
_
1
+ q
2
1
+ q
2
q
1
+
2
q
1
+
2
_
(77)
respectively, with A=A
n
+
1
+
2
. Formulations (74) and (75) represent the viscoplastic formulation
governed by structure (20). Observe, that the rate-independent limit is obtained for the cases
t , p 0 or , i.e. for very slow processes, for vanishing viscosity or for very large
exponents in the power law (20). All of these limit processes yield the representations
r
:
=
_
o
j(
1
+ q
2
)
o
j(
1
+ q
2
)
_
q
:
and D
:[
=
_
j j
j j
_
+ h
:[
(78)
which are formulations (30) and (32) of the rate-independent theory.
We now start with the analysis of the rate-independent case governed by the two equations
outlined above. From Equations (78) it can be easily seen that the Jacobian D
:[
associated with
the rate-independent case becomes singular in the case of ideal plasticity with

h(A) =0 as well
as in the case of Taylor-type isotropic hardening associated with the cross-hardening value q =1.
In this case the residual and Jacobian in (78) take the form
r
:
=
_
o
j
_
1
+
2
_
q
1
n
o
j
_
1
+
2
_
q
2
n
_
and D
:[
= j
_
1 1
1 1
_
(79)
with the current stiness values j =j+

h(A) and j = j+

h
(A)(
1
+
2
). Clearly, (79) is a singular
matrix.
We now apply the three possible regularization techniques proposed above to the solution of
(49) for the model problem (78). The underlying physically expected result requires that the slip
activity on both systems has to be identical. This is always achieved when the residual remains
unchanged. Recall in this context that the exact tangent matrix in (49) ensures the quadratic
convergence of the Newton iteration. A perturbation of the matrix does not change the physical
result. The singular-value decomposition (50) is based on the matrices
U=V=
1
2
_
1 1
1 1
_
and =
_
4 j
2
0
0 0
_
(80)
The evaluation of (60) then yields the generalized inverse
D
1
=
1
4 j
_
1 1
1 1
_
(81)
and the special solution
S =
1
2 j
_
o
j
_
1
+
2
_
q
1
n
o
j
_
1
+
2
_
q
2
n
_
(82)
for the plastic slip based on (61). This is the physically expected result where both slip systems
exhibit the identical activity. The ansatz in the reduced space (66) is governed by the non-square
matrix
D= j
_
1
1
_
(83)
The straightforward exploitation of (69) then yields again the generalized inverse (81) and thus
to the identical special solution (82) as the above-described approach based on the singular-value
decomposition. Finally, the perturbation technique (73) results in the inverse
D
1
=
1
c(2 j + c)
_
j + c j
j j + c
_
(84)
ODER
Table III. Labels of the slip directions s
:
and planes m
:
.
: s
:
m
:
: s
:
m
:
: s
:
m
:
1 [0 1

1] (1 1 1) 5 [1 0 1] (
1 1 1) 9 [
1

1 0] (
1 1

1)
2 [
1 0 1] (1 1 1) 6 [
1

1 0] (
1 1 1) 10 [0 1 1] (1 1

1)
3 [1

1 0] (1 1 1) 7 [0 1 1] (
1 1

1) 11 [1

1 0] (1 1

1)
4 [0 1

1] (
1 1 1) 8 [1 0

1] (
1 1

1) 12 [1 0 1] (1 1

1)
of the local Jacobian and thus the special solution
S =
1
(2 j + c)
_
o
j
_
1
+
2
_
q
1
n
o
j
_
1
+
2
_
q
2
n
_
(85)
for the plastic slip based on (61).
All three regularization approaches considered here provide the same physical reasonable result
for the double slip in Figure 1. The unied stress update algorithm for rate-independent and rate-
dependent single-crystal plasticity is summarized in Table II.
5. NUMERICAL EXAMPLES
The formulations described above have been implemented in the program CMP which is based
on of the general-purpose nite element program FEAP, originally developed by R. L. Taylor
and partly documented in Chapter 24 of Zienkiewicz and Taylor [28]. The subsequent numerical
examples are based on a formulation for f.c.c. crystals with 2 12 =24 possible slip systems.
The structure of f.c.c. single crystals is characterized by eight 1 1 1 slip planes and three 1 1 0)
directions in each plane. The rst 12 slip systems are listed in Table III with respect to an or-
thogonal frame. The further crystallographically similar slip systems are generated with the coaxial
normal vectors on the opposite facing octahedral planes.
The orientation of the f.c.c. unit cell is described by three angles of rotation with respect to
a xed orthogonal frame. Figure 2 illustrates the relation of the xed coordinate-system to the
rotated unit cell. The local axis of the crystals e
i
i=1, 3
in (4) are related to the xed orthogonal
frame e
i
i =1, 3
by the rotation
e
i
=R e
i
with R=
3
1
SO(3) (86)
The matrices
1
,
2
and
3
represent rotations about the x
3
-, the x
2
- and the x
3
-axes, respectively.
They are determined by the explicit expressions
1
=
_
_
cos 0
1
sin 0
1
0
sin 0
1
cos 0
1
0
0 0 1
_
_
,
2
=
_
_
cos 0
2
0 sin 0
2
0 1 0
sin 0
2
0 cos 0
2
_
_
,
3
=
_
_
cos 0
3
sin 0
3
0
sin 0
3
cos 0
3
0
0 0 1
_
_
In the rst example we investigate a strain-driven simple shear test for a set of 36 dierent
crystal orientations. A comparison of the rate-independent formulation with the rate-dependent
viscoplastic formulation documents the physical acceptance of the proposed approaches to rate-
independent crystal plasticity. The second example is concerned with the localization of a tensile
Figure 2. Orientation of the f.c.c. unit cell. The standard cartesian base { e
i
}
i=1, 3
is rotated to the base {e
i
}
i=1, 3
aligned to the f.c.c. crystal. The (1 1 1) slip plane of the f.c.c. crystal is marked by the shading.
specimen of mono-crystalline material. Here, the inuence of dierent orientations of the f.c.c.
single-crystal cell on the shear band development are investigated. For this case we assume an
elastically anisotropic crystal with cubic symmetry.
5.1. Simple shear problem
In this example we assume elastically isotropic crystals. For this purpose we choose the values
=1500.0 N}mm
2
, j =562.5 N}mm
2
for the bulk modulus and the shear modulus, respectively,
and assume a critical Schmid stress t
0
=1.0 N}mm
2
on all slip systems. In the rate-dependent
viscoplastic formulations considered, the strain-rate-sensitivity exponent has been set to 200 and
the viscosity parameter to p =5 10
4
s. The crystals are assumed to be stress free in the initial
state.
We now dene a set of 36 dierent but equally spaced crystal orientations identical to a problem
considered in Borja and Wren [13]. This set is generated by the angles of rotation 0
1
and 0
2
. The
third angle has been set to 0
3
=0
. The angles considered are listed in Table IV.

The simple shear problem in the e
1
e
2
plane has been discretized with four bilinear displace-
ment-type elements. In a deformation-driven process we deform the nite element mesh in 100
equal increments up to the nal value of the shear strain c
12
=c
21
=0.01. All other components
of the strain tensor are zero. Thus, the crystal deforms without volume change. The subsequent
numerical study compares solutions of the rate-independent theory and the rate-dependent theory
for the 36 crystal orientations listed in Table IV.
Table V depicts the active slip systems and the maximum shear stress o
x,
at the nal shear strain
c
x,
=0.01. The linearly dependent slip systems in the generalized inverse approach are denoted
by a minus sign. For the visco-plastic and the rate-independent formulation regularized with the
perturbation technique we do not get linearly dependent slip systems; thus the minus sign is not
valid in these cases.
ODER
Table IV. Orientations of the f.c.c.-unit cell.
No. 0
2
0
1
No. 0
2
0
1
No. 0
2
0
1
1 0 0 13 36 0 25 72 0
2 0 18 14 36 18 26 72 18
3 0 36 15 36 36 27 72 36
4 0 54 16 36 54 28 72 54
5 0 72 17 36 72 29 72 72
6 0 90 18 36 90 30 72 90
7 18 0 19 54 0 31 90 0
8 18 18 20 54 18 32 90 18
9 18 36 21 54 36 33 90 36
10 18 54 22 54 54 34 90 54
11 18 72 23 54 72 35 90 72
12 18 90 24 54 90 36 90 90
Table V. Simple shear test. Data at c
x,
= 0.01.
No. Active slip systems o
x,
No. Active slip systems o
x,
1 1,2,4,5,7,8,10,12 2.44949 19 2,3,6,8,9,11 1.98168
2 1,2,4,5,7,8,10,12 1.98168 20 2,8,10,11 1.74129
3 1,3,5,6,8,9,10,11 1.54327 21 4,10,11 1.24311
4 2,3,4,6,7,9,11,12 1.54327 22 4,6,10 1.24311
5 1,2,4,5,7,8,10,12 1.98168 23 2,4,6,8 1.74129
6 1,2,4,5,7,8,10,12 2.44949 24 2,3,6,8,9,11 1.98168
7 1,2,4,5,7,8,10,12 2.32960 25 2,3,5,6,8,9,11,12 2.32960
8 1,5,8,10 1.87521 26 2,5,9,11 1.87521
9 1,3,5,6,8,9,10,11 1.46913 27 1,2,4,5,7,9,10,11 1.46913
10 2,3,4,6,7,9,11,12 1.46913 28 1,3,4,6,7,8,10,12 1.46913
11 2,4,7,12 1.87521 29 3,6,8,12 1.87521
12 1,2,4,5,7,8,10,12 2.32960 30 2,3,5,6,8,9,11,12 2.32960
13 1,2,4,7,8,10 1.98168 31 2,3,5,6,8,9,11,12 2.44949
14 2,8,10,11 1.74129 32 2,3,5,6,8,9,11,12 1.98168
15 6,10,11 1.24311 33 1,2,4,5,7,9,10,11 1.54327
16 4,6,11 1.24311 34 1,3,4,6,7,8,10,12 1.54327
17 2,4,6,8 1.74129 35 2,3,5,6,8,9,11,12 1.98168
18 1,2,4,7,8,10 1.98168 36 2,3,5,6,8,9,11,12 2.44949
The nal stresses o
x,
obtained by the generalized inverse based on the singular-value decom-
position, the generalized inverse based on the ansatz in the reduced space and inverse based on
the perturbation technique are identical with the results obtained by the rate-dependent formula-
tion. Furthermore, the active slip systems obtained in the rate-independent formulation and the
rate-dependent formulation are also identical.
In the following gures the results obtained from the viscoplastic formulation are plotted with
dashed and the results from the rate-independent formulation with solid lines. These results are
obtained by increasing the nal boundary displacements in 20 equal steps. Figure 3(a) depicts
the evolution of the equivalent plastic strains of the rst orientation of the f.c.c. unit cell for the
rate-independent and rate-dependent formulation versus the applied shear strain c
x,
. Due to the
Figure 3. Orientation 1: (a) Equivalent plastic strain versus shear strains c
x,
per cent; (b) Accmulated plastic
slips {A
:
| : = 1, 2, 4, 5, 7, 8, 10, 12} versus shear strains c
x,
(per cent).
Figure 4. Orientation 10: (a) Accumulated plastic slips {A
:
| : =6, 11, 4, 2} versus shear strains c
x,
(per cent);
(b) Accumulated plastic slips {A
:
| : =3, 12, 7, 9} versus shear strains c
x,
(per cent), rate-independent model
(solid line); viscosity model (dashed line).
symmetry of the problem and the crystallographic structure (characterized by the orientation of the
f.c.c. unit cell) it is expected that plastic slip will occur simultaneously in the eight slip directions
s
:
[ : =1, 2, 4, 5, 7, 8, 10, 12 with the same amount. The evolution of the individually accumulated
plastic slip A
:
on the active slip systems is presented in Figure 3(b). For the crystal orientations
considered, the accumulated plastic slip on the active slip systems obtained by the rate-independent
and the rate-dependent formulation are identical.
Figure 4 presents the numerical results of the rate-independent model and the viscoplastic for-
mulation of the 10th orientation of the unit cell. This orientation is characterized by a high ac-
tivity of slip systems which start to develop more or less in a sequence. The plastic parameters
:
[ : =6, 11, 4, 2 and
:
[ : =3, 12, 7, 9 are plotted in Figure 4(a) and 4(b), respectively. The
graphs coincide quite well for all slip systems.
In order to investigate the accuracy of the proposed algorithm for the rate-independent formu-
lation in Table II, dierent time discretizations of the shear problem have been considered. The
nal value c
x,
=0.01 for the 10th orientation of the f.c.c. unit cell has been obtained within 100
(solid line), 50 (solid line with vertical marks) and 10 (solid line with quadrilateral marks) equal
time steps. The results are documented and compared in Figure 5(a) and 5(b). It can be seen
ODER
Figure 5. Orientation 10: (a) Accumulated plastic slips {A
:
| : =6, 11, 4, 2}, versus shear strains
c
x,
(per cent); (b) Accumulated plastic slips {A
:
| : =3, 12, 7, 9}, versus shear strains c
x,
(per cent) for 100, 50 and 10 equal time steps.
Figure 6. Tension of a strip. Geometry, boundary conditions and discretization with 1040 elements. Material
imperfection at the shaded element.
that in the deformation-controlled test under consideration the accumulated plastic slip are almost
independent of the step size.
5.2. Tension of a strip
We now consider the localization of a rectangular strip under plane strain conditions, where the
:-direction is constrained. Here we treat the problem within the framework of rate-independent
single-crystal plasticity under quasi-static conditions. The geometry of the strip is characterized
by the relation width}length =6}15.4 mm. The system and the discretization with 400 Q1}E5
enhanced strain elements are depicted in Figure 6. In this example we assume anisotropic elastic
material response with cubic symmetry. For this calculation we set the hardening parameter q =1.4
and use the scalar-valued hardening function proposed by Chang and Asaro [20] which has been
Table VI. Material parameters.
Moduli C
11
107.300 GPa
Moduli C
22
60.900 GPa
Moduli C
44
28.300 GPa
Flow stress t
0
0.060 GPa
Saturation stress t
s
0.108 GPa
Initial hardening h
0
0.534 GPa
Linear hardening h
l
0.001 GPa
Hardening parameter q 1.4
Figure 7. Tension of a strip with the orientation of the fcc-unit cell 0
1
=0
2
=0
3
=0
. Equivalent plastic
strains at the load parameters: (a) z =101; (b) z =102; and (c) z =110.
extended by an additional linear hardening parameter h
l
. The material parameters are summarized
in Table VI.
In order to trigger the localization of the geometrically perfect specimen we assume a material
imperfection on the left-hand side of the specimen as indicated by the shaded element in Figure 6.
Here the ow-stress values in Table VI are reduced by the factor 0.9. The prescribed mechanical
boundary conditions at both ends of the strip allow free contraction of the specimen.
As in the previous example we consider a f.c.c. unit cell with dierent orientations. In a
displacement-controlled numerical test we deform the specimen by a prescribed vertical elongation
u =z15.4 10
5
mm at both ends.
Figure 7(a)7(c) presents the equivalent plastic strains for the orientation 0
1
=0
2
=0
3
=0
for the sequence of load parameters z = 101, 102 and 110, respectively. The elongation of the
specimen was obtained in nine equal time steps up to z =90 followed by 20 equal time steps up
to the nal value z =110.
ODER
Figure 8. Equivalent plastic strains at load parameter z =120 for the orientations of the fcc-unit cell
0
2
=0
3
=0
and (a) 0
1
=0
; (b) 0
1
=15
; and (c) 0
1
=15
.
Table VII. Comparison of CPU time.
#
1
() (i)(s) (ii)(s) (iii)(s)
0 407 423 260
15 396 413 247
30 315 303 260
Figure 8 depicts the equivalent plastic strains at the load parameter z =120 for three dierent
orientations of the f.c.c. unit cell. The elongation of the specimen was obtained in 120 equal time
steps up to the nal value z =120. Figure 8(a)8(c) depict the distribution of the equivalent
plastic strains for the rst angle of rotation 0
1
=0
, 0
1
=15
and 0
1
=15
, respectively. The
other angles are set constant to 0
2
=0
3
=0
.
The orientations of the localized bands of equivalent plastic strains depend on the arrangement
of the internal structure, characterized by the orientation of the f.c.c. unit cell. In all examples two
slip bands develop. The rst example leads to two slip bands which are approximately orientated
under 45
with respect to the horizontal axis. The second and third orientation lead to more
distinct bands under approximately 30 and 30
, respectively.
For three dierent orientations of the f.c.c. unit cell, characterized by 0
1
= 0, 15, 30
and
0
2
=0
3
=0
, the computing times are compared for the dierent regularization techniques. All
computations were performed on an IBM RISC 6000-43P-140 workstation under the UNIX op-
erating system. The strip is therefore deformed by the above described vertical elongation up to
a load parameter of z =200 in 200 equal steps. For these calculations the hardening parameter q
is set to 1. Table VII compares the computing times for the local solution procedure based on
(i) the generalized inverse based on the singular-value decomposition, (ii) the generalized inverse
based on ansatz in the reduced space and (iii) the inverse based on the perturbation technique.
Observe that the solution of the boundary-value problem under consideration based on the
perturbation technique needs less CPU time then the other regularization techniques.
6. CONCLUSION
A new unied fully implicit multisurface-type return algorithm for both the rate-independent and
the rate-dependent setting of singly crystal plasticity has been proposed. The algorithm is endowed
with three alternative approaches to the regularization of the possible redundant slip activities of
the rate-independent theory. This includes the use of alternative generalized inverses of the Jaco-
bian of the currently active yield criterion functions as well as a new diagonal shift regularization
technique, motivated by a limit of the rate-dependent theory. Analytical investigations and numeri-
cal experiments showed that all three approaches result in similar physically acceptable predictions
of the active slips of rate-independent single-crystal plasticity, while the new proposed diagonal
shift method is the most simple and ecient concept.
ACKNOWLEDGEMENTS
Partial support for this research was provided by the Deutsche Forschungsgemeinschaft (DFG) under grant
SFB 404}A8.
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A Comparative Study of Stress Update Algorithms For Rate-Independent and Rate-Dependent Crystal Plasticity

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A Comparative Study of Stress Update Algorithms For Rate-Independent and Rate-Dependent Crystal Plasticity

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INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING

Int. J. Numer. Meth. Engng 2001; 50:273298

associated with a given trial state,

on the two slip systems indicated in Figure 1. We

on both systems. In the rateindependent case, where a singu-

. The angles considered are listed in Table IV.

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