.4cta maw. Vol. 45, No. 5, pp.

2187-2195, 1997
$3 1997 Acta Metallurgm Inc.
Pergamon PublIshed by Elsevier Science Ltd
PII: S1359-6454(96)00303-5 Printed in Great Britain. All rights reserved
1359-6454197 $17.00 + 0.00

A 3D CELLULAR AUTOMATON ALGORITHM FOR THE

PREDICTION OF DENDRITIC GRAIN GROWTH

Ch.-A. GANDIN and M. RAPPAZ

Laboratoire de mttallurgie physique, Ecole Polytechnique Fidirale de Lausanne, MX-G Ecublens,
CH-1015 Lausanne, Switzerland

(Receiaed 31 May 1996)

Abstract-Two- and three-dimensional (3D) Cellular Automaton (CA) algorithms are proposed for
modelling the growth of dendritic grains from the liquid phase. These CA growth algorithms are validated
for simple thermal situations by comparing the predicted grain shapes with those deduced from analytical
models. The insight obtained by the 3D approach is demonstrated by studying the extension of a single
dendritic grain in a squared platform (i.e. at a section change of a casting mould) under various conditions.
In particular, the effects of crystallographic orientation, thermal gradient, velocity of the isotherms and
growth kinetics are shown. This 3D CA growth algorithm, coupled with finite element heat flow
calculations, will become a major tool for the prediction of dendritic grain structures in solidification
processes. 0 1997 Acta Metallurgica Inc

INTRODUCTION be emphasized that the diagonals of this square

envelope were misoriented by an angle 0 with
A two-dimensional (2D) Cellular Automaton (CA) respect to the CA network axes, where Q is the
model has been proposed for the modelling of angle characterizing the misorientation of the four
dendritic grain structure formation during solidifica- (100) dendrite branches growing in the simulation
tion [l]. Coupled with Finite Element (FE) heat flow plane.
calculations [2], this model (referred to as the “2D The previous 2D CA growth algorithm was
CAFE model”) has been shown to predict grain also validated using non-uniform, but well-defined,
structures successfully in various solidification pro- thermal situations (e.g. Bridgman growth con-
cesses [3]. ditions). In particular, the competition predicted for
Since dendrites are known to develop along columnar grains growing in a given thermal gradient
preferred directions (( 100) crystallographic orien- was shown to be close to experimental observations
tations for f.c.c. metals), the difficulty in developing made on transparent analogues [2]. Good agreement
a CA growth algorithm is that it must reflect the was also obtained for the extension of a single
specific features of the solidifying material. Indeed, it dendritic grain in an open region of liquid after
is well known that CA methods, similarly to Monte passing a re-entrant corner [6].
Carlo ones, have a tendency to bias the results When applied to real processes [2, 31, the 2D CAFE
by introducing an anisotropy associated with the model has been shown to give very useful information
network of cells or sites [4]. This problem has regarding grain structures, i.e. selection of columnar
been circumvented in previous 2D CA models by grains from the outer equiaxed zone, competition of
introducing either a dendrite tip correction [l] or a columnar grains, orientations of grain boundaries
rectangle growth algorithm [2] (see next section). One with respect to the thermal gradient direction,
of the basic criteria used to validate CA dendrite columnar-to-equiaxed transition (CET), anisotropic
growth algorithms is to reproduce the overall shape shape of “equiaxed” grains growing in a thermal
of a single grain envelope growing in a uniform gradient, occurrence of a recalescence, etc. However,
temperature field. Under such conditions, the the grain structures seen in transverse sections of
observation of transparent substances such as thin “equiaxed” plates or airfoils could only be
cyclohexanol or succinonitrile [5] has shown that understood by including three-dimensional (3D)
this envelope has an octahedral shape. Based on effects [7, 81. The evolutions of the transverse size
these observations and assuming that one of the and crystallographic texture of columnar grains
(100) crystallographic orientations stands perpen- growing from a nucleation surface were also
dicular to the simulation plane, the previous 2D explained by a simple 3D model [9]. Although
CA growth algorithms were designed to reproduce the 3D stochastic models used in these cases
a square envelope for dendritic grains growing considered the three Euler angles characterizing the
under uniform temperature situations. It should six (100) dendrite growth directions, they were

2187
2188 GANDIN and RAPPAZ: PREDICTION OF DENDRITIC GRAIN GROWTH

limited to uniform temperature situations for which and are characterized by a state index equal to zero
the grain envelopes are regular octahedra. (i.e. I, = ZP= 0). At a given time, t,, a grain whose
Detailed comparison of real grain structures with [IO] crystallographic direction is assumed to be
numerical simulations requires the 2D CA growth misoriented by an angle H with respect to the CA
algorithm to be extended to 3D for any thermal field x-axis, nucleates at the centre of cell v. The state
and crystallographic orientation, which is precisely index of this cell is then set to a value Z, = 0.t
the goal of the present contribution. The growth of The growth centre, labelled C, and identified with
a single grain in a free volume of liquid will be a small cross, is identical to the cell centre.
compared with an analytical solution developed Assuming that the temperature is uniform at the
under the assumption of a fixed thermal gradient and scale of a cell, the dendrite arms are supposed to
cooling rate. The extension of a single grain after a grow locally within a square envelope.1 Even though
section change of the mould (i.e. after passing a the temperature is considered to be uniform
re-entrant corner) will also be demonstrated. Such throughout one cell, it should be emphasized that
situations are typically encountered during the it usually differs between cells if a non-uniform
production of single crystal turbine blades by temperature field is considered in the simulation
investment casting (transition between the grain domain.
selector and the head of the blade or between the
airfoil and the foot platform).

A 2D DECENTRED SQUARE CA GROWTH

ALGORITHM

In previous contributions, Rappaz and Gandin [1]

have shown that the cell lattice used in a CA growth
model (hexagonal and square lattices using either
first or first and second nearest neighbours) will bias
the intrinsic misorientation of the dendritic grain
envelope unless the algorithm is refined. Basically, the
dendrite growth front has to be tracked at the level
of the typical secondary arm spacing if the correct
shape of the envelope is to be predicted. This has
been achieved by introducing either a dendrite tip
correction [1] or a 2D “rectangle” algorithm [2, 61.
The first algorithm is not a CA model and can hardly
be extended to non-uniform temperature situations,
whereas the second is difficult to extend to 3D as the
“rectangle” would correspond to “non-regular
octahedron” shapes. For these reasons, a new 2D
“decentred square” algorithm is first presented in this
section, the extension of which to 3D (a 3D
“decentred octahedron”) is much simpler (see next
section).
Figure l(a) presents a schematic diagram of the
2D “decentred square” CA growth algorithm. The
two small open circles labelled v and p correspond
to the centres of two neighbouring square cells of
the CA network, separated by a distance 1. They
are both liquid at the beginning of the simulation

tAs t? is not allowed to vary continuously, orientation

classes are defined and I, is set to the corresponding
orientation class number.
fAs detailed in Ref. [l], it should be kept in mind that a
square shape assumption also requires that (i) the
incubation time during which active sidebranches are
influenced by the solute field of their neighbours is
neglected; (ii) one of the (100) directions of the grain is
perpendicular to the simulation plane (2D situation). Fig. 1. Schematic diagram of 2D decentred square cellular
For reason (ii), the main dendrite growth axes are simply automaton growth algorithm for the nucleation cell (a) and
labelled (10). for an arbitrary cell (b).
 GANDIN and RAPPAZ: PREDICTION OF DENDRITIC GRAIN GROWTH 2189

Since the nucleation radius of the grain is

neglected, the half size of the square envelope at a
time t (i.e. along a (11) direction), L[, is given by
i
L: = 5 u[ATJz)].dz (1)
dS
1.
where v is the velocity of the dendrite tips (i.e. of the
(10) directions or diagonals of the square). It is a k+)
function of the local undercooling, AT,, taken at
Fig. 2. (a) Analytical and (b) numerical predictions using the
the centre of cell v, which is itself a function of time. 2D decentred square algorithm, of the evolution of the
The relationship between dendrite tip velocity and envelope of a single dendritic grain growing in a Bridgman
undercooling can be obtained from a dendrite tip configuration with G = 250 K/m and F= -0.1 K/s
kinetics model, such as the one proposed by Kurz (0, = 400 x 10m6m/s). The grain envelopes are drawn every
1 s from the time of nucleation. The grain is nucleated at the
et al. [lo]. In order to speed up the calculations, such
centre of a 10 mm x 10 mm domain with an initial under-
a relationship is usually fitted with a polynomial cooling AT = 2 K and a misorientation f3= 30”. Its growth
approximation (e.g. cubic or square interpolations kinetics is given by u = A.AT- with A = 10m4m/(s K’).
U> 61).
In a time-stepping calculation, the square envelope
centred on C, will capture the neighbouring cell p. In procedure is trivial as the square does not need to be
Fig. l(a), this occurs between time t-6t and time t: the truncated (i.e. C,. = C,). Figure l(b) illustrates the
corresponding square of size L:, has now engulfed the CA growth procedure after several growth steps: the
cell centre p. Cell p is then set to a “solid” state (in growth centre C, no longer coincides with the centre
fact it is mushy, as its temperature will usually be in of cell v at the time of capture of cell p and C,, has
between the solidus and liquidus temperatures of the also moved with respect to C, since the direction L’,,,TTl
alloy) by changing its state index to that of cell v (i.e. had to be truncated to 4.1. It is clear that the
I,, = I, = 0). From this time onwards, the growth of growth calculation of cell v is stopped once all of its
the square envelope centred on C,, could be continued neighbours have been captured.
in order to calculate the capture of the neighbours of This new 2D CA growth algorithm has been
cell p, but now using the corresponding undercooling validated by comparing its prediction to that of an
AT# [and velocity u(AT,)]. In this case, the growth analytical model previously developed by Gandin
centre associated with cell ,u, C,, would be identical et al. [6]. A single grain having an arbitrary
to C, (i.e. the dendritic growth within cell p will be orientation is assumed to grow in a constant thermal
calculated using the grey square centred on cell v). gradient and cooling rate (i.e. Bridgman-like con-
This procedure would of course track a portion of the ditions). The result of such a comparison is shown in
envelope of the dendrite arms without introducing Fig. 2: as can be seen, the results of the analytical
any bias from the CA axes if a uniform temperature growth model (a) and of the 2D CA prediction (b) are
situation is considered. However, it would introduce remarkably close. The cell density used for the CA
another problem after several growth steps when calculation of Fig. 2(b) was equal to 400 x lo6 mm2
applying a thermal gradient: since the growth centres (i.e. a cell size equal to 50 pm). Above this value, it
of all the cells belonging to a given grain would all was shown that the 2D CA “rectangle” growth model
coincide with the original nucleation cell, the converged towards the analytical model [6]. For
associated squares would become very large over coarser CA meshes, the predicted grain envelope was
time. Eventually, they could capture cells that would still fairly close to the analytical result but with an
otherwise have been trapped by other cells. In order increased roughness. The same remarks apply to the
to avoid this problem, the squares are truncated to a new 2D CA “decentred square” growth algorithm.
maximum value given by
A 3D DECENTRED OCTAHEDRON CA GROWTH
LI = f [Min(L:,,,,,$.l) + MinW~I~~I,~~O1 (2) ALGORITHM

where L;,, ,, and LLInj are the distances, defined at the Figure 3 sketches the extension of the 2D decentred
time of capture, between the cell centre p and the [ 1 l] square growth algorithm to three dimensions at an
and [ii] faces of the square growing from the centre arbitrary time step (i.e. to be compared with
C,, respectively. In other words, these two distances Fig. l(b)). As the basic grain envelope in a uniform
measure the lengths along the dendrite front face temperature field is now that of a regular octahedron
which has captured cell p on both sides of its centre. (i.e. body limited by { 111) planes), the CA algorithm
Once the length Lh is known, a square of size 2LL is is now referred to as the “3D decentred octahedron
positioned in such a way that one of its corners algorithm”. The basic principles are the same.
coincides with the corner nearest to cell g (see Fig. 1). The growth of an octahedron whose centre C,
This defines the virtual growth centre C, of this differs from the centre of cell v is considered by
square. During the first capture step [Fig. l(a)], this integration over time of the dendrite tip kinetics. The
2190 GANDIN and RAPPAZ: PREDICTION OF DENDRITIC GRAIN GROWTH

size of the octahedron [i.e. the distance from its centre

to any of its (111) faces] is now given by
f

where L: corresponds to the initial size of the

decentred octahedron at the time of capture of cell D, s
t. At the instant of nucleation, L:: = 0 and C, = v.
The orientation of the (100) directions, which are the
diagonals of the octahedron, with respect to the (X,
Y, Z) axes of the cubic cell lattice is given by a set
of Euler angles (4,, 4, &).t Once the octahedron
envelope of cell v encloses the neighbouring cell
centre p, the centre and the initial size of the
decentred octahedron of cell ,Uare calculated in a very
similar manner to that shown for the two-dimen- Fig. 3. Schematic diagram of 3D decentred octahedron
sional case (see Fig. 3). This includes the following cellular automaton growth algorithm. The shaded part of
steps: this drawing is not to scale with respect to the criterion (u)
of the 3D CA growth algorithm.
(i) Determination of the (111) face, F, which has
engulfed the cell centre p.
(ii) Calculation of the coordinates of point A, the conditions [see Fig. 4(al) and (a2)]. The details of this
projection of the cell centre ,U on face F (i.e. analytical model can be found in the Appendix. Note
the intersection on face F of its normal, nF, that the three Euler angles (b,, 4, &) characterizing
issued from p). the (100) directions of the grain of Fig. 4 have
(iii) Determination of the corner S, on this face been chosen as (20”, 20”, 20”) so that the dendrite
that is closest to A. growth directions do not coincide with any of the CA
(iv) Calculation of the coordinates of the two axes.
points I and J which are the projections of As can be observed from Fig. 4(bl), the
point A on the two segments SIS2 and S,S?, misorientation and shape of the regular octahedron
respectively. are perfectly kept by the CA algorithm for the case
(v) Calculation of the initial size of the octa- of a uniform temperature situation. They coincide
hedron, L;,. For that purpose, each of the perfectly with those deduced from the analytical
segments IS,, IS?, JS, and JS, is truncated model. The same remarks apply to the case of a
to &.I. Similarly to equation (2), for each non-zero thermal gradient [Fig. 4(a2) and (b2)]. In
edge SIS2 and SISl one first defines the lengths this case, as the thermal gradient is applied along the
LIZ = f (Min[IS,,d.I] + Min[I&,$.I]) Z-axis, it can be noted that the (100) primary
dendrite tip closest to the opposite -Z-axis has the
L,, = f (Min[JS,,&./] + Min[J$,&.I]). fastest growth rate since it is the most undercooled.
It should be noted that if both IS, and IS2 are The opposite dendrite tips quickly reach a stationary
less than J3.1, these lengths are equal to the growth regime with a velocity given by u~.(cos~)-‘,
half lengths of the (110) edges S, S1 and S, S,. where vL is the velocity of the liquidus and 4 is the
The size of the new octahedron is finally angle between this (100) direction and the Z-axis.
defined as The overall deformation of the octahedral shape of a
grain in a thermal gradient is similar to what has
L,‘,= $ Max[L,&& (4) already been described in two dimensions [6].
Considering that the results shown in Fig. 4
(vi) Calculation of the position of the growth
centre of cell p, C,,. On the diagonal linking validate this 3D extension of the CA algorithm, it is
the centre C,. and the octahedron corner S,, C,, applied in the next section to the case of a single
is at a distance 3.L;‘ from S,. dendritic grain envelope growing in an enlarged
section of a mould (i.e. after passing a re-entrant
Figure 4 presents the predictions of this 3D CA corner).
algorithm for the shapes of a single dendritic grain
growing in a uniform temperature field (bl) and in a
Bridgman-like situation (b2). These shapes can be EXTENSION OF A SINGLE DENDRITIC GRAIN IN
compared with the results of the predictions of the 3D A 3D SQUARED PLATFORM
analytical model obtained for the same thermal
In order to study the extension of a single dendritic
grain in an open region of liquid under Bridgman-like
TSee definition of the Euler angles in Ref. [ll]. conditions [6], the growth of a grain nucleated at a
 GANDIN and RAPPAZ: PREDICTION OF DENDRITIC GRAIN GROWTH 2191

Fig. 4. 3D views of (a) analytical and (b) numerical predictions of a dendritic grain envelope 7 s after
nucleation at AT= 2 K. The original misorientation of the grain and its growth kinetics are given by
(41, 4, 42) = (20’, 20’) 20”) and by ~1= A,AT’ with A = 10mJ m/(s KZ), respectively. The cooling rate i‘
is set to -0.1 K/s for the two cases (1) and (2) but in (1) the temperature is uniform (G = 0 K/m) whereas
in (2) G = 250 K/m (0, = 400 x 10-6m/s). Cell density: lO’:m-’ (cell size: 100 x 10mhm).

centre X = Y = Z = 0 was studied in the half domain intervals at which the grain envelopes are drawn in all
Z 2 0. Figure 5 presents the predictions of the 3D CA cases and sections are every 10 s from the time of
model for such conditions. The parallelepipedic nucleation.
domain enmeshed for the CA calculation is The reference case (c) corresponds to (i) a thermal
5cm x 3cm x 3cm (-2.5IXI2.5cm, -1.51 gradient, G, along the Z-axis and equal to 1000 K/m
Y 5 1.5 cm, 0 I Z 2 3 cm). It can be viewed as the and a cooling rate f = -0.1 K/s (velocity of the
exit of a “grain selector” located beneath the plane isotherm L+.= 100 pm/s); (ii) an orientation given
Z = 0, the transverse dimension of which being small by the three Euler angles (&, 4, &) = (0’, 15’, 15‘);
compared to that of this platform. The cases (a)-(e) (iii) a simplified growth kinetics law given by 1’= A.
correspond to various thermal conditions, grain with A = 1O-6 m/(s K’). Despite the fact that
orientations or growth kinetics parameters. For each 4, = O”, none of the (100) crystallographic directions
of them, the three columns show sections parallel to of the grain are parallel to the (OXYZ) frame axes
the planes X = 0, Y = 0 and Z = 0, respectively (i.e. associated with the CA mesh. It should also
planes perpendicular to the axes of the CA network be pointed out that the predictions of the 3D CA
and passing through the nucleation centre). The time model viewed in a X = 0 section in the particular case
2192 GANDIN and RAPPAZ: PREDICTION OF DENDRITIC GRAIN GROWTH

of 4, = & = 0” are equivalent to those of the 2D CA
model with Q = 4. The same remark applies to the
particular case of a grain with 4 = 0” seen in the
section plane Z = 0, which can be compared to the
2D CA case when Q = 4, + $2 and the temperature
is uniform (G being perpendicular to such a
Z-section). Other correspondences can be found
when the fourfold symmetry of the (100) growth
directions is considered.
With regard to the reference case (c), the general
behaviour of the grain envelope in the non-uniform
temperature section planes, X = 0 or Y = 0, is

.
(01,
(4
x cuts Y cuts z cuts
Fig. 5. Predicted envelopes of a single dendritic grain growing in a half domain -2.5 < X < 2.5 cm,
- 1.5 5 Y 5 1.5 cm, 0 < Z I 3 cm. The grain has been nucleated at (X, Y, Z) = (0, 0, 0) at an initial
undercooling AT = 10 K. The thermal gradient and isotherm motion are directed towards the Z direction.
The standard conditions [case (c)] are: G = 1000 K/m, p= -0.1 K/s, (41, 4, 42) = (0”, 15”, 15”) and
t‘= A,A72 with A = lo-” m/(s K2) AT2. In each of the other cases, one and only one parameter has been
changed with respect to (c): (a) G = 0 K/ m, (b) p = 0 K/s, (d) (I$,, 4, 42) = (45”, 15”, 15”) and (e)
u = A,A72 with A = 10m5 m/(s K2) AT2. The cell density is fixed to 3.7 x 10’0m~3 (cell size: 300 x 10e6 m)
and the grain envelopes are drawn every 10 s from the time of nucleation t = 0 s.
 GANDIN and RAPPAZ: PREDICTION OF DENDRITIC GRAIN GROWTH 2193

comparable to that predicted with the 2D CA model CONCLUSIONS

since the angle 4 is small. The grain envelope
A 2D decentred square and a 3D decentred
gradually flattens to become horizontal and finally
octahedron CA growth algorithms have been
follows the liquidus isotherm, as was already
presented. These algorithms are physically sound and
observed in the upper parts of Fig. 2(a)-(b). The
have been validated against the predictions of 9
section Z = 0 shows a progressive filling of the
analytical models. The 2D CA growth model was
horizontal platform. As can be seen from the spacing
presented as a necessary step for the design and the
between the grain envelopes, the growth speed of the
easier understanding of the 3D algorithm. Applied
grain in this section increases with time since the
to the study of the extension of a single dendritic
temperature of a Z-section is uniform but decreases
grain in a rectangular platform, the 3D CA model
with time (F = -0.1 K/s). The other cases shown
demonstrated its ability to account for different
in Fig. 5 correspond to a change in one of the
cooling conditions, crystallographic orientations and
parameters intervening in the reference case (c). In (a)
growth kinetics parameters. Although they require
the thermal gradient is set to zero, in (b) the cooling
the definition of a virtual growth centre, these
rate is zero, in (d) the grain orientation is changed to
algorithms are fast. The 3D CA calculation of the
(&, 4, &) = (45”, 15”, 1.5’) and finally in (e) the
octahedral grain shown in Fig. 4(bl) was performed
growth kinetics constant is increased to A = 10-j
(650 time step, domain containing 1 million
m/(s K*).
cells-100 x 100 x 100) in 180 s on a Hewlett-Pack-
It is interesting to note that the shape of the grain
ard 735 workstation when defining the neighbour-
in the Z-section of case (c) is exactly the same as that
hood of the cells with the first nearest neighbours
obtained in (a) for which a zero thermal gradient is
(six neighbours). In fact, it should be kept in
imposed. Indeed, the temperature evolution in these
mind that a correct prediction of the growth
two sections is the same, regardless of the value of G.
competition between two columnar grains requires
However, the X- and Y-cross sections of these two
the use of a second order neighbourhood of the
cases are quite different since case (a) corresponds to
cells in the 2D CA model (eight neighbours in a
cuts of a regular octahedron [see Fig. 4(bl)]. Case (b)
square lattice) [2]. In the 3D model, an extension to
in Fig. 5 is another limit of the Bridgman cooling
a higher neighbourhood is also expected to be
condition (zero cooling rate). Since the grain was
required for modelling the competition between
nucleated at an initial undercooling of 10K in a
columnar grains. Such an extension will increase the
thermal gradient G = 1000 K/m, the region Z < 1 cm
CPU time.
(bottom third of the volume) is undercooled with a
At this stage, it is important to emphasize that
fixed temperature profile. As can be seen, these
coupling of the 3D CA growth model to 3D FE heat
particular Bridgman conditions are such that the
flow calculations is in progress and will allow direct
grain envelope propagates until it completely fills the
calculations of 3D dendritic grain structures in real
undercooled region. Since the temperature at the level
casting geometries. Such a 3D CAFE model will be
of the platform Z = 0 is fixed, the velocity of the
of considerable help for the control of grain structure
dendrite tips in this section is constant as can be seen
in investment cast parts.
from the spacing of the grain envelopes. However, in
the X- and Y-sections, the growth rate constantly
decreases as the grain envelope tends towards the Ackno~~ledgements-The authors would like to thank the
fixed liquidus isotherm. Commission pour la technologie et l’innovation Bern (CH),
In case (d), the Euler angle 4, has been changed to (Grant #2861 .l) and the companies ABB Management
Ltd, Baden (CH), Calcom S.A., Lausanne (CH), Howmet
45”. By comparison with case (c), it can be seen that
Corporation, Whitehall (Michigan, U.S.A.), PCC airfoils
the X-edges of the platform (Z-section) are reached Inc., Beachwood (Ohio, U.S.A.), Rolls Royce Plc, Derby
slightly later by the dendrite tips [at about t = 125 s (U.K.), SNECMA, Paris (F) and T&N Technology/AE
in case (d) compared to t = 110 s in case (c)l, whereas Turbine Component Ltd, Leeds (U.K.) for providing the
the Y-edges are reached at about the same time financial contribution to this research.

(t = 85 s). Finally, the last case (e) clearly shows the

dramatic effect of increasing the growth kinetics by a
REFERENCES
factor of 10. For identical thermal conditions, the
platform is filled much more quickly and thus the 1. Rappaz, M. and Gandin, Ch.-A., Acta metall. mater.
final undercooling at which this is completed is 1993, 41, 345.
2. Gandin, Ch.-A. and Rappaz, M., Acta metall. mater.,
drastically reduced [about 25 s after nucleation or
1994, 42, 2233.
AT= 12.5 K in case (e), compared to 135 s or 3. Rappaz, M., Gandin, Ch.-A., Desbiolles, J.-L. and
AT = 23.5 K in (c)l. Similarly, the steady state regime Thevoz, Ph., Metall. Trans. mater., 1996, 27, 695.
in sections X or Y (flat dendrite front following the 4. Anderson, M. P., Srolovitz, D. J., Grest, G. S. and
liquidus isotherm) is reached at an earlier stage in Sahni, P. S., Acta metall., 1984, 32. 783.
5. Ovsienko, D. E., Alfintsev, G. A. and Maslov, V. V.,
case (e). In this regime, the undercooling of the
J. Crvst. Growth, 1974, 26, 233.
stationary dendrite front will be reduced by a factor 6. Gandin, Ch.-A., Schaefer, R. J. and Rappaz, M., Acta
fi as compared with case (c). mater., 1996, 44, 3339.
2194 GANDIN and RAPPAZ: PREDICTION OF DENDRITIC GRAIN GROWTH

7. Gandin, Ch.-A., Rappaz, M. and Tintillier, R., Metall. APPENDIX

Trans., 1993, 24A, 467.
8. Gandin, Ch.-A., Rappaz, M. and Tintillier, R., Metall. 30 Analytical Prediction of Dendvitic Grain Envelopes
Trans. mater., 1994, 25A, 629.
9. Gandin, Ch.-A., Rappaz, M., West, D. and Adams, The 3D analytical model for the prediction of
B. L., Metall. Trans. mater., 1995, 26A, 1543. dendritic grain envelopes is an extension of a
10. Kurz, W., Giovanola, B. and Trivedi, R., Acta metal/.,
previously developed 2D model proposed by Gandin
1986, 34, 823.
1I. Bunge, H. J., Texture Analysis in Materials Science. et al. [6]. In the 2D model, it was assumed that one
Butterworths, London, 1982. of the (100) directions was perpendicular to the

Fig. Al. 3D views of (a) [loo], (b) [OlO] and (c) [OOl] cross-sections of the envelopes of a single dendritic
grain calculated using the 3D analytical growth model. The parameters are those of Fig. 4. Three
cross-sections have been calculated for each of the (100) axes. Thus, a total of nine cross-sections are
drawn and assembled in (d) to show the general envelope of the grain. For each section, the competition
between secondary branches emitted from two perpendicular primary dendrite trunks are shown. One of
the main results of this calculation is to predict the (100) direction of the secondary arms which are
favoured in the various regions of the grain. This result is given by the eight arrows drawn for the eight
volumes defined by the main (100) planes. The final shape of the grain is given by the outermost envelope
in each of these regions and can be seen in Fig. 4(a2).
 GANDIN and RAPPAZ: PREDICTION OF DENDRITIC GRAIN GROWTH 2195

simulation plane. Therefore, the growth of only four the centre of nucleation, the competition of
of the six ( 100) primary and secondary branches was secondaries and tertiaries in the corresponding
calculated in order to predict the competition perpendicular plane (i.e. (100) plane) can be described
between secondary sidebranches growing from two in a way very similar to that performed previously in
perpendicular primary trunks. It was shown that in two dimensions [6]. It is only necessary to measure the
each quadrant defined by the primary trunks, specific angles between the directions of the secondary and
sidebranches would win over the others. tertiary branches (i.e. the [OlO] and [OOl] directions)
Similarly, the 3D envelope of a dendritic grain can and the thermal gradient direction. Then, the
be calculated by considering separately the growth of envelopes of the secondary and tertiary sidebranches
the primary dendrite trunks and the competition in this given “primary” plane may be calculated. The
between secondary and tertiary sidebranches growing result of such a computation is shown in Fig. Al for
along (100) directions. Any point in space can be three primary section planes perpendicular to the (a)
reached by three successive growth steps of specific [loo], (b) [OlO] and (c) [OOl] directions. The final
dendrite branches: along the [loo], then the [OlO] and envelope of the grain defined as the outermost
finally the [OOl] directions. These directions can of envelope of the six dendrite growth paths is shown in
course be permuted. For example, a point can be Fig. 4(a2), whereas Fig. A-ld shows a combination of
reached by the dendritic network from growth along the six growth paths. The conditions are the same for
a primary [loo] trunk, then along a [OlO] secondary these two figures. In each of the eight sectors defined
branch and finally along a [OOl] tertiary branch. But by the primary trunk directions, only one specific
the same point could have been reached by first dendrite growth path wins. These paths are shown by
having growth along a [OlO] primary trunk, then eight labelled arrows. The equations used to calculate
along a [loo] secondary branch and finally along a the growth of the primary, secondary and tertiary
[OOl] tertiary. arms are exactly the same as those mentioned in Ref.
Considering growth along a given primary trunk [6], provided that the appropriate coordinate
(e.g. the [ 1001 direction) up to a specific distance from transformation is made.