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Theoretical and Computational Aspects

of Cohesive Zone Modeling

NAMAS CHANDRA
Department of Mechanical Engineering
FAMU-FSU College of Engineering
Florida State University
Tallahassee, Fl-32310

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What is CZM and why is it important
In the study of solids and design of nano/micro/macro structures,
thermomechanical behavior is modeled through constitutive equations.
Typically is a continuous function of , &, f(, , &) and their history.
Design is limited by a maximum value of a given parameter ( ) at any local point.
What happens beyond that condition is the realm of fracture, damage, and failure
mechanics.
CZM offers an alternative way to view and failure in materials.
Fracture/Damage theories to model failure

Fracture Mechanics -
Linear solutions leads to singular fields-
difficult to evaluate
Fracture criteria based on K IC ,G IC ,J IC ,CTOD,...
Non-linear domain- solutions are not
unique
Additional criteria are required for crack
initiation and propagation
Basic breakdown of the principles of
mechanics of continuous media
Damage mechanics-
can effectively reduce the strength and
stiffness of the material in an average
sense, but cannot create new surface
E%
D 1 , Effective stress =
E 1 D
CZM is an Alternative method to Model Separation

CZM can create new surfaces.


Maintains continuity conditions mathematically,
despite the physical separation.
CZM represents physics of the fracture process at
the atomic scale.
It can also be perceived at the meso- scale as the
effect of energy dissipation mechanisms, energy
dissipated both in the forward and the wake
regions of the crack tip.
Uses fracture energy(obtained from fracture tests)
as a parameter and is devoid of any ad-hoc
criteria for fracture initiation and propagation.
Eliminates singularity of stress and limits it to the
cohesive strength of the the material.
It is an ideal framework to model strength,
stiffness and failure in an integrated manner.
Applications: geomaterials, biomaterials, concrete,
metallics, composites.
Dissipative Micromechanisims Acting in the wake and forward
region of the process zone at the Interfaces of
Monolithic and Heterogeneous Material

W a k e o f c ra c k tip F o rw a rd o f c ra c k tip

F ib ril (M M C b rid g in g M ic ro v o id P la stic
max C c o a le s c e n c e zone M e ta llic
C le a v a g e
fr a c tu r e
G r a in b rid g in g

O x id e b rid g in g
y B D

N O M A T E R IA L L O C A T IO N O F C O H E S IV E
S E P A R A T IO N C R A C K T IP
C O M P L E T E M A T E R IA L T h ic k n e ss o f
S E P A R A T IO N c e ra m ic in te r fa c e

A
E
, X C r a c k M e a n d e rin g

l1 max D sep C e ra m ic
l2 F ib ril( p o ly m e rs )
P la s tic w a k e

FO R W A R D W A K E b rid g in g

In trin s ic d is s ip a tio n E x trin s ic d is s ip a tio n


M A T E R IA L M A T H E M A T IC A L
C R A C K T IP
C O H E S IV E
C R A C K T IP C R A C K T IP P re c ip ita te s M ic ro c ra c k in g
C r a c k D e f le c tio n in itia tio n

C ra c k M e a n d e rin g M ic ro v o id
g ro w th /c o a le s c e n c e
C o n ta c t W e d g in g

IN A C T IV E P L A S T IC Z O N E sep D max C o n ta c t S u rfa c e


(P la s tic w a k e ) A (fric tio n ) D e la m in a tio n
C
E D

W A K E FO R W A R D P la s tic ity in d u c e d
P la s tic W a k e C o rn e r a to m s
c ra c k c lo s u re F a c e c e n tere d
a to m s
FCC

y P h ase
tra n s fo rm a tio n C o rn e r a to m s
A C T IV E P L A S T IC Z O N E

C y c lic lo a d in d u c e d B CC B o d y c e n te r e d
a to m s

x c ra c k c lo s u re
In te r/tra n s g ra n u la r
E L A S T IC S IN G U L A R IT Y Z O N E
f r a c tu r e

Concept of wake and forward region in the


cohesive process zone
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Active dissipation mechanisims participating at the cohesive process zone
Conceptual
ConceptualFramework
Frameworkof
ofCohesive
CohesiveZone
ZoneModels
Modelsfor
forinterfaces
interfaces

1 is an interface surface separating two domains 1 , 2


(identical/separate constitutive behavior).
After fracture the surface 1 comprise of unseparated surface and
completely separated surface (e.g. * ); all modeled within the con-
cept of CZM.

Such an approach is not possible in conventional mechanics of con-


tinuous media.
Development of CZ Models-Historical Review
Figure (a) Variation of Cohesive
traction (b) I - inner region,
II - edge region

Barenblatt (1959) was


first to propose the concept
of Cohesive zone model to
brittle fracture

Molecular force of cohesion acting near the edge of the crack at its surface (region II ).
The intensity of molecular force of cohesion f is found to vary as shown in Fig.a.
The interatomic force is initially zero when the atomic planes are separated by normal
intermolecular distance and increases to high maximum f m ETo / b : E /10 after that
it rapidly reduces to zero with increase in separation distance.
E is Youngs modulus and Tois surface tension
(Barenblatt, G.I, (1959), PMM (23) p. 434)
Dugdale (1960)
independently developed
the concept of cohesive
stress

For Ductile metals (steel)


Cohesive stress in the CZM is equated to yield stress Y
Analyzed for plastic zone size for plates under tension
Length of yielding zone s, theoretical crack length a,
and applied loading T are related in
the form s
a 2 sin 2 T
(4 Y)
(Dugdale, D.S. (1960), J. Mech.Phys.Solids,8,p.100)
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Phenomenological Models

The theory of CZM is based on sound principles.


However implementation of model for practical problems grew exponentially for
practical problems with use of FEM and advent of fast computing.
Model has been recast as a phenomenological one for a number of systems and
boundary value problems.
The phenomenological models can model the separation process but not the effect of
atomic discreteness.

Hillerborg etal. 1976 Ficticious Grujicic, 1999, fracture beha- Tevergaard 1992 particle-matrix
crack model; concrete vior of polycrystalline; bicrystals interface debonding
Bazant etal.1983 crack band Costanzo etal;1998, dynamic fr. Tvergaard etal 1996 elastic-
theory; concrete Ghosh 2000, Interfacial debo- plastic solid :ductile frac.; metals
Morgan etal. 1997 earthquake nding; composites Brocks 2001crack growth in
rupture propagation; geomaterial Rahulkumar 2000 viscoelastic sheet metal
Planas etal,1991, concrete fracture; polymers Camacho &ortiz;1996,impact
Eisenmenger,2001, stone fragm- Liechti 2001Mixed-mode, time- Dollar; 1993Interfacial
entation squeezing" by evanescent depend. rubber/metal debonding debonding ceramic-matrix comp
waves; brittle-bio materials Ravichander, 2001, fatigue Lokhandwalla 2000, urinary
Amruthraj etal.,1995, composites stones; biomaterials
Fracture process zone and CZM

CZM essentially models fracture process zone by


Mathematical
a line or a plane ahead of the crack tip subjected Material crack tip
to cohesive traction. crack tip

The constitutive behavior is given by y


traction-displacement relationship, obtained
by defining potential function of the type
n , t1 , t 2 x
where n , t1 , t 2 are normal and tangential
displacement jump
The interface tractions are given by


Tn , Tt1 , Tt 2
n t1 t 2
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Critical
CriticalIssues
Issuesin
inthe
theapplication
applicationof
ofCZM
CZMto
tointerface
interfacemodels
models

What
Whatisisthe
therelationship
relationshipbetween
betweenthe thephysics/mechanics
physics/mechanicsofofthe theseparation
separationprocess
processand
and
shape
shapeofofCZM?
CZM?(There(Thereare areasasmany
manyshapes/equations
shapes/equationsas asthere
thereare
arenumber
numberof ofinterface
interface
problems
problemssolved!)
solved!)
What
Whatisisthe
therelationship
relationshipbetween
betweenCZM CZMand andfracture
fracturemechanics
mechanicsofofbrittle,
brittle,semi-brittle
semi-brittle
and
andductile
ductilematerials?
materials?
What
What is therole
is the roleofofscaling
scalingparameter
parameterininthe thefidelity
fidelityof
ofCZM
CZMtotomodel
modelinterface
interface
behavior?
behavior?
What
Whatisisthethephysical
physicalsignificance
significanceof of
--Shape
Shapeof ofthe
thecurve
curveCC
--tmax
tmax and
andinterface
interfacestrength
strength
--Separation distancesepsepand
Separationdistance andCOD?
COD?
--Area
Areaunder
underthethecurve,
curve,work
workofoffracture,
fracture,fracture
fracturetoughness
toughnessGG (local
(localand
and
global)
global)
Motivation for studying CZM

CZM is an excellent tool with sound theoretical basis and computational


ease. Lacks proper mechanics and physics based analysis and evaluation.
Already widely used in fracture/fragmentation/failure

critical issues addressed here

Scales- What range of CZM parameters What is the effect of plasticity


are valid? in the bounding material on
MPa or GPa for the traction the fracture processes
J or KJ for cohesive energy
nm or m for separation
displacement

Energy- Energy characteristics during Importance of


fracture process and how energy shape of CZM
flows in to the cohesive zone.

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Atomistic simulations to extract cohesive properties

Motivation

What is the approximate scale to


examine
fracture in a solid
Atomistic at nm scale or
Grains at m scale or
Continuum at mm scale

Are the stress/strain and energy


quantities computed at one scale be valid
at other scales? (can we even define
stress-strain at atomic scales?)

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Embedded Atom Method Energy Functions
(D.J.Oh and R.A.Johnson, 1989 ,Atomic Simulation of Materials,
Edts:V Vitek and D.J.Srolovitz,p 233)
233

Etot
The total internal energy
Ei of the crystal
i

r
5
where Ei F i 1
2 ij 4
Al
Mg
j 1 Cu

i f rij
3
and 2 Cutoff Distances
j 1
1 (4.86) (5.44) (6.10)

Energy (eV)
Ei Internal energy associated with atom i
0
F i Embedded Energy of atom i. 2 4 6
Atomic Seperation (A)
1
ij Contribution to electron density 2
of ith atom and jth atom.
f rij Two body central potential
3

4
between ith atom and jth atom.
5

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CONSTRUCTION OF COMPUTATIONAL CRYSTAL
GRAIN STRUCTURE AND COMPUTATIONAL CRYSTAL

CONSTRUCTION OF COMPUTATIONAL CRYSTAL

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Boundary Conditions for GB Sliding

Construct symmetric tilt boundaries (STDB) by rotating a


single crystal (reflection)

Periodic boundary condition in X direction

Restrain few layers in lower crystal

Apply body force on top crystal

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T Curve in Shear direction

A small portion of 9(221) CSL grain bounary before


And after application of tangential force

Shet C, Li H, Chandra N ;Interface models for GB sliding and migration


MATER SCI FORUM 357-3: 577-585 2001
T Curve in Normal direction

A small portion of 9(221) CSL grain boundary before


And after application of normal force

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Results and discussion on atomistic simulation
Implications
Summary
complete debonding occurs when the
distance of separation reaches a value of 2 The numerical value of the cohesive
o
to 3 A . energy is very low when compared
For 9 bicrystal tangential work of to the observed experimental results
separation along 2the grain boundary is of
the order 3 J / m and normal 2work of Atomistic simulation gives only
separation is of the order 2.6 J / m . surface energy ignoring the inelastic
For 3 -bicrystal, the work of separation energies due to plasticity and other
2
ranges from 1.5 to 3.7 J / m . micro processes.
Rose et al. (1983) have reported that the 2 Wp
adhesive energy (work of separation) 2
for
aluminum is of the order 0.5 J / m and the
o
It should also be noted that the exper-
separation distance 2 to 3 A imental value of fracture energy
Measured energy to fracture copper
includes the plastic work in addition
bicrystal with random grain boundary is
of the order 54 J / m 2
and for 11 copper to work of separation
bicrystal the energy to fracture is more (J.R Rice and J. S Wang, 1989)
2
than 8000 J / m
Table of surface and fracture energies of standard materials

Material Nomenclature K IC MPam1/ 2 G IC J / m 2 particle size


J / m2
Aluminium 2024-T351 35 14900 1.2
alloys
2024-T851 25.4 8000 1.2

Titanium T21 80 48970 2-4


alloys
T68 130 130000 2-4

Steel Medium 54 12636 2-4


Carbon
High strength 98 41617
alloys
18 Ni (300) 76 25030
maraging
Alumina Al 2O3 4-8 34-240 10 m
SiC ceramics 6.1 0.11 to 1.28 m
Polymers PMMA 1.2-1.7 220
Energy balance and effect of plasticity in the
bounding material

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Motivation
It is perceived that CZM represents
the physical separation process.
As seen from atomistics, fracture
process comprises mostly of inelastic
dissipative energies.
There are many inelastic dissipative
process specific to each material
system; some occur within FPZ, and
some in the bounding material.
How the energy flow takes place
under the external loading within the
cohesive zone and neighboring
bounding material near the crack tip?
What is the spatial distribution of
plastic energy?
Is there a link between micromechanics
processes of the material and T curve.
Plasticity vs. other Dissipation Mechanisms

Since bounding material has its own


inelastic constitutive equation, what
is the proportion of energy dissipation
within that domain and fracture region
given by CZM.

Role of plasticity in the bounding


material is clearly unique; and cannot
be assigned to CZM.

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Cohesive zone parameters of a ductile material

Al 2024-T3 alloy
The input energy in the cohesive model
are related to the interfacial stress and
characteristic displacement n as
n max e n e
t max t
2
The input energy n is equated to
material parameter
Based on the measured fracture value J IC
n t 8000 J / m 2
max ult 642MPa
n t 4.5 X 10 6 m

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Material model for the bounding material

Elasto-plastic model for Al 2024-T3


Stress strain curve is given by
1/ n


E y
where y 320MPa,
0.01347,
n 0.217173
E=72 GPa, =0.33,
and fracture parameter
K IC 25MPa m1/ 2

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Geometry and boundary/loading conditions

a = 0.025m, b = 0.1m, h = 0.1m


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Finite element mesh

28189 nodes, 24340 plane strain 4 node elements,


7300 cohesive elements (width of element along the crack plan is ~ 7x107 m

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Global energy distribution
E w Ee E p Ec
E e and E p are confined to bounding material
E c is cohesive energy, a sum total of all dissipative
process confined to FPZ and cannot be recovered
during elastic unloading and reloading.
Purely elastic analysis
The conventional fracture mechanics uses the concept
of strain energy release rate
U
GJ
a
Using CZM, this fracture energy
is dissipated and no plastic
dissipation occurs, such that

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Global energy distribution (continued)
Analysis with elasto-plastic material model

Two dissipative process


8000J / m 2
Plasticity within Micro-separation
Bounding material Process in FPZ
Issues Implications
Fracture energy obtained from experi-
mental results is sum total of all
dissipative processes in the material for
initiating and propagating fracture. Leaves no energy for plastic work in the
Should this energy be dissipated bounding material
entirely in cohesive zone? In what ratio it should be divided?
Should be split into two Division is non-trivial since plastic
identifiable dissipation processes? dissipation depends on geometry, loading
and other parameters as
max
Ep Ep , n,S i ,i 1,2,..
y
where Si represents other factors arising from
the shape of the traction-displacement relations
What are the key CZM parameters that govern the energetics?

max in cohesive zone dictates the stress level achievable in the bounding
material.
Yield in the bounding material depends on its yield strength y and its post
yield (hardening characteristics.
Thus max y plays a crucial role in determining plasticity in the bounding
material, shape of the fracture process zone and energy distribution.
(other parameters like shape may also be important)
Global energy distribution (continued)

Recoverable elastic work E e 95 to 4 Cumulative Plastic Work

98% of external work 3.5 Cumulative Cohesive Energy

3
Plastic dissipation depends on max y

Energy/(y n 1.0E2)
2.5
4

max y 1 to 1.5 : Elastic 2


3
behavior 1.5
max y 1.5 : 2

1
plasticity occurs.
max y 0.5
1

Plasticity increases with 0


0 20 40 60 80
u / n

8
Variation of cohesive energy and plastic energy for
various max y ratios
(1) max y 1 (2) max y 1.5
(3) max y 2.0 (4) max y 2.5
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Relation between plastic work and cohesive work

max y 1.5 (very small scale plasticity),


plastic energy ~ 15% of total dissipation.
Plasticity induced at the initial stages
3
of the crack growth
max y
plasticity ceases during crack 2.5
max y = 2.0
propagation.

Cohesive Energy/( y n 1.0E2)


Very small error is induced by ignoring 2
plasticity. max y = 2.5

max y 2.0 plastic work increases 1.5

considerably, ~100 to 200% as that of


1
cohesive energy.
For large scale plasticity problems the 0.5

amount of total dissipation (plastic and


2
cohesive) is much higher than 8000J / m . 0
0 1 2 3 4
Plastic dissipation very sensitive to max y Plastic Energy/( y n 1.0E2)

ratio beyond 2 till 3


Crack cannot propagate beyond max y 3
and completely elastic below max y 1.5
Variation of Normal Traction along the interface

The length of cohesive zone is also


max by
affected y ratio.
There is a direct correlation
between the shape of the traction-
displacement curve and the normal
traction distribution along the
cohesive zone.
For lower max y ratios the
traction-separation curve flattens, this
tend to increase the overall cohesive
zone length.

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Local/spatial Energy Distribution

A set of patch of elements (each having app. 50


elements) were selected in the bounding material.
The patches are approximately squares m
(130 ). They are spaced equally from each
other.
Adjoining these patches, patches of cohesive
elements are considered to record the cohesive
energies.

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Variation of Cohesive Energy

The cohesive energy in the patch increases


up to point C (corresponding to max in
Figure ) after which the crack tip is
presumed to advance.
The energy consumed by the cohesive
elements at this stage is approximately 1/7
of the total cohesive energy for the present
CZM.
Once the point C is crossed, the patch of Tn
max
elements fall into the wake region.
The rate of cohesive zone energy
max sep
absorption depends on the slope of the T
curve and the rate at which elastic
unloading and plastic dissipation takes place
in the adjoining material.
The curves flattens out once the entire
cohesive energy is dissipated within a given The variation of Cohesive Energy in the Wake and Forward
zone. region as the crack propagates. The numbers indicate the
Cohesive Element Patch numbers Falling Just Below the
binding element patches
Variation of Elastic Energy

Considerable elastic energy is built up till


the peak of T curve is reached after
which the crack tip advances.
After passing C, the cohesive elements near
the crack tip are separated and the elements
in this patch becomes a part of the wake.
At this stage, the values of normal traction
reduces following the downward slope of
Tn
T curve following which the stress in the max
patch reduces accompanied by reduction in
elastic strain energy.
max sep
The reduction in elastic strain energy is
used up in dissipating cohesive energy to
those cohesive elements adjoining this patch.
The initial crack tip is inherently sharp
leading to high levels of stress fields due to
which higher energy for patch 1 Variation of Elastic Energy in Various Patch of
Crack tip blunts for advancing crack tip Elements as a Function of Crack Extension. The
leading to a lower levels of stress, resulting in numbers indicate Patch numbers starting from Initial
Crack Tip
reduced energy level in other patches.
Variation of Plastic Work ( max y 2.0)
plastic energy accumulates considerably
along with elastic energy, when the local
stresses bounding material exceeds the yield y
After reaching peak point C on T curve
traction reduces and plastic deformation
ceases. Accumulated plastic work is Tn
dissipative in nature, it remains constant after max

debonding.
All the energy transfer in the wake region max sep
occurs from elastic strain energy to the
cohesive zone
The accumulated plastic work decreases up Variation of dissipated plastic energy in various
to patch 4 from that of 1 as a consequence of patched as a function of crack extension. The number
reduction of the initial sharpness of the crack. indicate patch numbers starting from initial crack tip.
Mechanical work is increased to propagate
the crack, during which the E c and E e does
not increase resulting in increased plastic
work. That increase in plastic work causes the
increase in the stored work in patches 4 and
beyond
Variation of Plastic Work ( max y 1.5)

, there is no plastic
dissipation.

plastic work is induced only


in the first patch of element

No plastic dissipation during crack Tn


max
growth place in the forward region
max sep
Initial sharp crack tip profile induces
high levels of stress and hence plasticity
in bounding material.

During crack propagation, tip blunts


resulting reduced level of stresses
leading to reduced elastic energies and
no plasticity condition.

Variation of Plastic work and Elastic work in various patch


of elements along the interface for the case of .
The numbers indicates the energy in various patch of
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elements starting from the crack tip.
Contour plot of yield locus around the cohesive
crack tip at the various stages of crack growth.

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Schematic of crack
initiation and
propagation
process in a ductile
material
Conclusion
CZM provides an effective methodology to study and simulate fracture in solids.

Cohesive Zone Theory and Model allow us to investigate in a much more


fundamental manner the processes that take place as the crack propagates in a
number of inelastic systems. Fracture or damage mechanics cannot be used in
these cases.
Form and parameters of CZM are clearly linked to the micromechanics.

Our study aims to provide the modelers some guideline in choosing appropriate
CZM for their specific material system.
max y ratio affects length of fracture process zone length. For smaller max y
ratio the length of fracture process zone is longer when compared with that of
higher ratio.

Amount of fracture energy dissipated in the wake region, depend on shape of


the model. For example, in the present model approximately 6/7th of total
dissipation takes place in the wake

Plastic work depends on the shape of the crack tip in addition to max y ratio.
Conclusion(contd.)

The CZM allows the energy to flow in to the fracture process zone, where a
part of it is spent in the forward region and rest in the wake region.
The part of cohesive energy spent as extrinsic dissipation in the forward region
is used up in advancing the crack tip.
The part of energy spent as intrinsic dissipation in the wake region is required
to complete the gradual separation process.
In case of elastic material the entire fracture energy given by the J IC of the
material, and is dissipated in the fracture process zone by the cohesive
elements, as cohesive energy.
In case of small scale yielding material, a small amount of plastic dissipation
(of the order 15%) is incurred, mostly at the crack initiation stage.
During the crack growth stage, because of reduced stress field, plastic
dissipation is negligible in the forward region.

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