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A B S T R A C T Fracture experiments with silicon specimens in recent years have shown the need for a
new approach to the analysis of rapidly propagating cracks in single crystals. Behaviour
and phenomena have been revealed that fracture in these materials is rather different from
the fracture of both amorphous and polycrystalline materials. We show that continuum
mechanics is insufficient for analyzing crack propagation in single crystals since it is unable
to consider atomistic-scale phenomena. Accordingly, we describe basic phenomena asso-
ciated with rapid crack propagation in silicon: (i) anisotropic velocity-dependent R-curve
behaviour, as a key phenomenon dictating atomistic scale behaviour, (ii) crack deflection
from one cleavage plane to another as a mesoscopic scale phenomenon in single-crystal
fracture, (iii) the Rayleigh surface wave speed as the limiting crack tip velocity is re-
examined, (vi) the lowest crack velocity in brittle crystals is examined, and finally (v) the
interaction between crack path and preferred cleavage planes in single crystals is depicted.
Keywords crack deflection; cleavage; dynamic fracture; energy dissipation; single crystal;
velocity-dependent.
32
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R A P I D C R AC K P R O PAG AT I O I N S I L I C O N 33
separation, similar to the conditions dictating dislocation length and crack’s velocity, respectively, G=G0 g(V ) where
mobility in metallic single crystals. G0 = G(a, V = 0, t, geometry, load) and g(V ) is a univer-
The decision as to which cleavage system will be the one sal dynamical function expressing the kinetic energy and
preferred for crack initiation in a specific geometry, crys- approximated14 to be: g(V ) ≈ 1 − V /C R , which implies
tallographic structure and loading configuration, is made that C R is the upper limit of crack velocity. Stroh15 argued
possible with the aid of fracture theory.9,10 For this pur- that C R , the Rayleigh free surface wave speed, is the the-
pose, and assuming that the crystal contains a pre-existing oretical upper limit for crack velocity in solids. It should
crack or flaw, one calculates the quasi-static strain energy be noted that C R depends only on the elastic constants of
release rate (SERR) per unit area of crack advance, G0 , and the material, and no microstructural or dynamical effects
evaluates, experimentally, the quasi-static fracture energy, were considered.
0 , for each possible cleavage system. The crack initi- Experimental observations and numerical calculations
ates on the first system that fulfils the Irwin criterion:10 show that the crack velocity, V , never attains C R , even
G0 = 0 . The lower limit to 0 is usually assumed to be at large values of SERR.16–18 Nevertheless, the crack ve-
2γ S , which is twice the bond-breaking energy.9 However, locity may reach a significant fraction of C R .
this value may be higher due to the lattice trapping ef- We investigated the fracture behaviour of single-crystal
fect,7,8,11–13 which depends on the atomistic arrangement, silicon, since it is the best man-made material, having a
namely the different distances between the atoms consti- perfect crystallographic structure with almost no defects.
tuting the plane. 0 , the quasi-static fracture energy, is It is also considered to be a nearly ideally brittle mate-
usually assumed to be isotropic for the specific cleavage rial. Silicon has been widely investigated over the years
plane, so that it does not depend on crystallographic ori- as a leading material in the microelectronics and MEMS
entation on that plane. This only involves stretching the industries,19 and its properties in almost every field, in-
bond until the forces between the atoms vanish or until cluding crack propagation, have been extensively studied,
the bond between the atoms breaks. However, it may be both experimentally and numerically, from both macro-
anisotropic within the plane, again due to the lattice trap- scopic and atomistic aspects. Silicon is commercially avail-
ping effect. Furthermore, this value varies from one crys- able and inexpensive, and as such it is most appropriate as a
tallographic plane to another due to the different atomic model material for investigating various features of crack
structures. propagation. Silicon has a diamond-like microstructure.
Molecular dynamics simulations of a cleavage in sili- The preferred cleavage planes in silicon are the {110}
con7 demonstrate the anisotropic nature of a fracture in and the {111} planes, and they are inclined 35.26◦ to-
a silicon crystal. The {111}<110>, the {111} <112>, wards each other.
and the {110}<110> systems [{hkl}-crack plane, <uvw> In the next sections, we describe the phenomenon of
crack direction] are the ‘continuous’ systems; the crys- velocity-dependent R-curve behaviour in silicon, which
tallographic structure of these systems being in such an is a highly anisotropic behaviour. The crack deflection
order that several bonds in the vicinity of the crack tip phenomenon and the deflection velocity as a function of
are stretching and contributing to the crack propagation crystallographic orientation are calculated based on a rig-
process. These atoms share the load at the crack tip, and orous analysis of the experimental results. The deflection
the crack propagation is therefore considered ‘continuous’ velocity defines the maximum crack tip velocity (along the
and requires less energy during rapid propagation. On the (110) plane) that a crack can acquire. Finally, it is shown
other hand, the fracture in the {110}<001> system ex- that the maximum crack velocity may be very far from that
hibits a completely different behaviour: the complex crys- predicted by Stroh. More critical issues are also discussed.
tallographic structure of this system prevents load sharing
between the atoms close to the crack tip, and a single atom
P H E N O M E N A A S S O C I AT E D W I T H R A P I D
at the crack tip is carrying most of the load. The bond-
C R A C K P R O PA G AT I O N
breaking events are therefore abrupt, which results in a
relatively high energy consumption. We postulate that, We fracture under three-point bending (3PB), thin and
analogous to crack initiation, crack propagation is also wide silicon specimens cut from silicon wafers. The exper-
controlled by the anisotropic atomistic structure of the imental set-up is schematically shown in Fig. 1. The ex-
crystal. perimental procedure has recently been widely described
As to the stage of propagation, Freund14 has defined the in the literature,20 and we therefore proceed without a
criterion for a straight and smooth crack moving at a con- detailed description of the specimens and of the loading
stant velocity, which is similar to Irwin’s criterion:11 G = procedure; they are advantageous in examining aspects
, where G and are the temporal dynamic energy re- associated with rapid crack propagation in single crystals
lease rate and the temporal fracture energy, respectively. and with the influence of a variety of crack tip velocities
G=G(a, V , t, geometry, load), a and V are the temporal crack along variety of crystallographic orientations in a single
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34 D. S H E R M A N
specimen. We describe the phenomena rather than the With the aid of the deflection phenomenon detected dur-
experiments performed to obtain them. ing bending experiments, we were able to define a proce-
In this regard, we first refer the reader to two impor- dure to calculate the velocity and orientation-dependent
tant parameters in our investigations. One are the quasi- cleavage energy of the {110} cleavage plane, {110} (V ,
static surface energies, 110
0 and 111
0 , for the {110} and θ), by estimating ∂ {110} (θ )/∂V .21 A basic assumption
the {111} preferred cleavage planes, respectively. De- in that estimation was that ∂ {111} (θ)/∂V is constant and
termination of these properties was attempted experi- independent of the crystallographic orientation, due to
mentally and numerically, they were found to be widely the nearly isotropic nature of the (111) plane. Fortu-
scattered, and their exact value are still debated. Nev- nately, an estimation of ∂ (111) /∂V is possible,17 it was
ertheless, we use the results lately obtained by full- shown there that a crack moving on the {111}<112̄> sys-
density functional molecular dynamic simulations,7 with tem at a velocity of 2000 m/s gains only 0.1 J/m2 above
which they were calculated to be 3.46 and 2.88 J/m2 the quasi-static value. From finite-difference calculations
for 1100 and 111
0 , respectively. However, in specimens we obtain ∂ (111) /∂ V ≈ 5 · 10−5 J s/m3 for any crystallo-
cut from [001] silicon wafers the {111} plane is inclined graphic orientation. Using the values mentioned above
35.26◦ to the {110} plane, and therefore the total en- for the quasi-static cleavage energies7 and substituting
ergy dissipated by a crack running along the {111} plane ¯ 0111 − 0110 = 0.06 J/m2 , as well as the deflection veloc-
is ¯ 0111 = 2.88/cos(35.26) = 3.52J/m2 . In this case, the ity, we get:21
{110} plane becomes the low-energy cleavage plane. In
the following discussion, G and therefore refer to a ∂ (110) (θ ) 0.06
= 5 × 10−5 + . (3)
unit area of the specimen’s cross-section, not to the crack ∂V Vdefl (θ )
surface.
The gradient on the left side of Eq. (3) is readily found
if V defl (θ ) is known. Indeed, V defl (θ ) was evaluated us-
Velocity-dependent R-curve behaviour of a crack
ing somewhat lengthy analysis of the deflection phe-
running on the {110} plane
nomenon.21 The results are shown in Fig. 2a. The gra-
We start this Section with a description of the fundamental dients ∂ {110} (θ )/∂V of the [11̄0] and the [001] crystallo-
material behaviour that, we suggest, is the key reason for graphic orientations for θ equal 0◦ and 90◦ , respectively,
the phenomena associated with rapid crack propagation. are 7.08.10−5 and 3.1.10−3 Js/m3 , respectively (a ratio of
Although the results described here were obtained follow- 44). We suggest that this large difference is to be attributed
ing a thorough analysis of the deflection phenomenon,20 to the wide variations in the atomic arrangement of silicon
we have chosen to describe it first. The observation of on the (110) plane.
crack deflection from the {110} to the {111} cleavage We now rotate the silicon crystal to view the crystallo-
plane in SC silicon as a function of crack tip velocity graphic structure that the crack front ‘sees’ when changing
was interpreted by atomistic energy-dissipation mecha- its orientation from [11̄0] to [001] (θ=0◦ to 90◦ ). The plane
nisms,20 in which the basic form of the internal cleav- remains the (110), and the axis of rotation is the [110]. For
age energy is suggested by: = R + I , where R and the [11̄0] direction, the atomic structure, as seen in Fig. 2b,
I are the reversible and the irreversible fracture ener- undergoes only minor changes until θ ∼54.7◦ , which is the
gies, respectively. We postulate that I is a function of [11̄2] direction (Fig. 2c). At that angle, significant changes
crack tip velocity, V , which is the bond breaking velocity occur in the crystal structure and are retained until {the
along certain system (plane and orientation) and therefore, angle of} θ ∼90◦ , (the [001] direction) (shown in Fig. 2d)
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R A P I D C R AC K P R O PAG AT I O I N S I L I C O N 35
Fig. 2 Energy and crystallographic structure: (a) the energy gradients,∂ (11̄0) (θ )/∂ V, versus the crystallographic orientation and the
crystallographic arrangements for a crack propagating along, (b) the (110) [11̄0], (c) the (110) [112̄] and (d) the (110) [001] systems.
that possesses a completely different microstructure. We altered for different values of the two. The basic behaviour,
therefore suggest that at that point, the energy dissipation however, will not change.
due to phonon radiation is high compared with other ori- We postulate that the reason for the velocity-dependent
entations. This results in a high dynamic-energy gradient R-curve behaviour in nearly ideal brittle single crystals
of this system. Note also that when the crystallographic is phonon radiation, which is dependent on the veloc-
orientation changes from the [11̄0] to the [11̄2] direction, ity and the crystallographic orientation. The anisotropic
a ‘global load sharing’ mechanism takes over, as more than phonon radiation is a source of energy dissipation mech-
two bonds are participating in the bond-breaking mech- anisms and is strongly dependent on the crystal structure.
anisms, so that these mechanisms are continuous, while As such, the phonon radiation is responsible for various
from the [11̄2] to the [001] direction, ‘local load shar- phenomena associated with rapid crack propagation; the
ing’ prevails, in which only one bond carries most of the deflection described in the following is one of them.
load and the bond breaking mechanism is abrupt, and the
phonon radiation there is high. Another important out-
Crack deflection from the {110} to the {111} plane
come of this analysis is that while the gradients ∂ (110)
(θ)/∂V show wide variations, the total dynamic cleavage A most significant finding in our 3PB experiments was
energy at deflection, (110) (V defl ,θ), Eq. (2), exhibits only the discovery of the macroscopic change in the preferred
small variations: It ranges from 3.52 to 3.66 J/m2 for the cleavage plane from (110) to (111) as a function of crack
[001] and the [11̄0] orientation, respectively. velocity and crystallographic orientation.20,21 Specimens
We note that the results described above are sensitive with relatively long notches (over 1 mm), and therefore
to the exact values of 110 ¯ 111
0 and 0 , and therefore may be with relatively low energy and velocity at crack initiation,
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38 D. S H E R M A N
Fig. 5 (a) Schematic representation of the quarter-elliptical and the long-‘tail’ profile, the ridge pattern and the velocities associated with
crack propagation under 3PB loading, (b) the ‘Wallner line’ as the way to predicting the crack profile, and (c) the direction, θ , of the normal
velocity vector along the crack front and the normalized normal velocity, V n /V x, both as a function of the normalized location, y, with
respect to the height, h, of the fracture surface, y/h, of a point on that profile.
where the crack is running on the perpendicular, (111) At steady state, which is maintained for most of the
cleavage plane. crack’s propagation, the crack front moves at a nearly
We postulate that the crack front is constructed of a set constant parallel velocity (V x ) in the x direction. The
of ridges initiating on the bottom surface, Point A, and physically significant velocity of the ridge, V n , coincides
advances in the material towards the upper portion of the with the parallel velocity, V x , in the lower portion of the
specimen, Point B, as schematically shown in Fig. 5a for cross-section (see Fig. 5a). In the upper portion of the
an individual ridge and fully described elsewhere.29 The specimen that velocity is very low and almost normal to
velocity of propagation, V n , of an individual ridge is al- V x , and it coincides with the [001] direction. It is again
ways normal to the local crack front, see Fig. 5a. This stressed that the specimen, with its unique crack front,
normal velocity is the actual rate at which the bonds be- covers a large variety of velocities and crystallographic ori-
tween atoms along the crack tip path are breaking and is entations, in contrast, for example, to tensile specimens,
therefore the physical velocity. which consist of only one cleavage system. The normal
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R A P I D C R AC K P R O PAG AT I O I N S I L I C O N 39
velocity at any point of the crack front is given by V n = of silicon and of glass are dissimilar in nature. This point
V x sin θ , where θ is the angle between the local normal requires a more thorough experimental program and a
to the crack front and the x-axis, as shown in Fig. 5c. The new theoretical treatment.
resulting normal velocity, V n , is also shown in Fig. 5c.
The normal velocity decreases as the crack approaches
the top portion of the fracture surface and was esti- SUMMARY
mated20,21,29 to be of the order of several tens of m/s, We demonstrate the differences between several aspects
see Fig. 5c. This is in contrast to the minimum velocity of rapid crack propagation in amorphous materials and
that a crack can decrease to, as demonstrated by numerical in single crystals. While the continuum mechanics ap-
simulations. According to the simulations, the minimum proach well predicts fracture initiation and propagation in
velocity of crack propagation is about 0.35 C R, 25–28 which isotropic materials, such as amorphous and polycrystalline
in silicon on the (110) cleavage plane in the [110] and the ones, it cannot predict changes in the crack path or account
[001] directions, is nearly 1600 and 1900 m/s, respectively. for material behaviour on the atomic scale. This being so,
The maximum parallel velocity of a crack running on the the problem of understanding the fracture of brittle single
(110) plane without deflection was measured to be about crystals is challenging. We have pointed out on velocity
1500 m/s. Our quarter-elliptical crack front shape with and orientation dependent cleavage energy as the key phe-
long tail contradicts that suggested minimal crack veloc- nomenon responsible for the major phenomena occurring
ity supposition. during rapid crack propagation. The velocity-dependent
R-curve behaviour is attributed to the velocity dependent
Crack path and cleavage plane phonon radiation, which is a source of energy dissipation.
We have, in particular, demonstrated the phenomenon of
It is well accepted that cracks propagate on planes with crack deflection from one cleavage plane to another due to
the lowest cleavage energy, these planes therefore known energy considerations, and the different values of velocity
as cleavage planes. In silicon, the {111} and {110} family dependent energy dissipation on both preferred cleavage
of planes are the cleavage planes, of which the latter has planes in silicon. The discovery that the deflection ve-
the higher cleavage energy. A crack cannot propagate on locity varies as the crystallographic orientation varies has
any other plane. Nevertheless, it is evident that when frac- led to another finding; the Rayleigh surface wave speed,
turing silicon wafers, the crack paths are not necessarily a constant dictated by the elastic constant of the material
straight. only, is well accepted as the upper limit to crack velocity,
It has lately been shown that, in glass30 and even in sin- but we have shown that the maximum crack tip velocity
gle crystal silicon,31 cracks can oscillate and propagate in is dictated by the microstructure. Furthermore, we have
a sinusoidal pattern with atomistically smooth surfaces. shown that a crack can propagate at a low velocity, as low
We have recently shown that a fracture surface in crys- as tens of m/s, the lowest range of velocities that we can
talline silicon may be perturbed, but the perturbations measure. This is in contrast to predictions by molecular
are smooth. In silicon, for example, when a crack is in- dynamics simulations. Finally, the cleavage plane as the
teracting with stationary dislocations, the fracture surface selection of the crack path (as a recommendation only)
is smooth and flat but exhibits nanometric perturbations, was discussed.
constructed, presumably, from atomistic steps along the
(111) and (110) cleavage planes to form complicated crack
paths.32,33 It is therefore possible for a crack to propagate Acknowledgement
along paths that are not straight and yet atomistically to
The support of the Israel Science Foundation through
follow the known cleavage planes.
Grant No. 1110/04 is gratefully acknowledged.
Several theories, aimed at predicting the crack path selec-
tion, have been proposed4–6 , and numerical procedures,
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