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Pequet 2002
Pequet 2002
Pequet 2002
A microporosity model, based on the solution of Darcy’s equation and microsegregation of gas, has
been developed for arbitrary two- (2-D) and three-dimensional (3-D) geometry and coupled for the
first time with macroporosity and pipe-shrinkage predictions. In order to accurately calculate the
pressure drop within the mushy zone, a dynamic refinement technique has been implemented: a fine
and regular finite volume (FV) grid is superimposed onto the finite-element (FE) mesh used for the
heat-flow computations. For each time-step, the cells, which fall in the mushy zone, are activated,
and the governing equations of microporosity formation are solved only within this domain, with
appropriate boundary conditions. For that purpose, it is necessary to identify automatically the various
liquid regions that may appear during solidification: open regions of liquid are connected to a free
surface where a pressure is imposed, partially closed liquid regions are connected to an open region
via the mushy zone, and closed regions are totally surrounded by the solid and/or mold. For partially
closed liquid pockets, it is shown that an integral boundary condition applies before macroporosity
appears. Finally, pipe shrinkage (i.e., shrinkage appearing at a free surface) is obtained by integration
of the calculated interdendritic fluid flow over the open-region boundaries, thus ensuring that the
total shrinkage (microporosity plus macroporosity and pipe shrinkage) respects the overall mass
balance. This very general approach is applied to Al-Cu and Al-Si alloys.
冋 册
in Eq. [9], and the problem is well defined. Assuming lever-
K ⭸gp
div ⫺l (grad pl ⫺ lg) ⫺ l ⫽ [9a] rule and a locally closed system for the segregation of such
⭸t a gas, the mass balance of hydrogen can be written, in this
case, as
⭸gs ⭸l ⭸s
⫺(s ⫺ l) ⫺ (1 ⫺ gs ⫺ gp) ⫺ gs [H]0l ⫽ [H]ssgs ⫹ [H]ll(1 ⫺ gs) if gp ⫽ 0
⭸t ⭸t ⭸t
In other words, solidification shrinkage and specific mass [11]
variations, respectively, the first and two last terms on the
where [H]0 is the nominal concentration of hydrogen in the
right-hand side (RHS) of Eq. [9a], can be compensated for
melt, and [H]s and [H]l are the hydrogen concentrations in
by feeding (the first term on the left-hand side (LHS)) and/
the solid and liquid, respectively. These last two concentra-
or by microporosity formation (the second term on the LHS).
tions are assumed to be related by the partition coefficient
The RHS terms are supposed to be known from a heat-flow
kH, i.e., [H]s ⫽ kH[H]l , taking this value as equal to that of
computation (including fluid flow in the liquid region or
the saturated solutions (i.e., given by Sieverts’ law). Equa-
not) and from the knowledge of the specific mass of the
tion [11] then allows one to directly calculate the effective
solid and of the liquid phases. Since the product of the
concentration in the liquid, [H]l(gs), as a function of the
fraction of porosity and variation of the specific mass of the
volume fraction of solid only.
liquid is second-order, Eq. [9a] can also be written as:
冋 册
2. As soon as porosity formation occurs. Hydrogen (or
K ⭸gp
div ⫺l (grad pl ⫺ lg) ⫺ l ⫽ [9b] gas) conservation can be written as
⭸t
[H]0l ⫽ [H]ssgs ⫹ [H]ll(1 ⫺ gs ⫺ gp) [12]
⭸具典0 d具典0 ⭸T
⫺ ⫽⫺ gppp
⭸t dT ⭸t ⫹␣ if gp ⫽ 0
T
where 具典0 ⫽ (sgs ⫹ l(1 ⫺ gs)) is the average mass of the
solid-liquid mixture without porosity. This value could be ␣ is a gas conversion factor, pp is the pressure in the pores,
measured for example by densitometric measurements or and T is the temperature (in K). The gas concentrations in
calculated by using a solidification model for gs(T ) and each phase are given by Sieverts’ law:
knowing the specific mass (also possibly a function of T )
冪p
pp
of each individual phase. In many alloys, the variations of [H]*s (T, pp, cl) ⫽ Ss(T, cs) and
specific mass in the liquid are much more pronounced than 0
[13a]
that in the solid[22] because of the fact that the partition
冪
pp
coefficients, ki , are usually much smaller than unity. The [H]*l (T, pp, cl) ⫽ Sl(T, cl)
term l can be written as p0
l ⫽ l,0 [1 ⫺ T (T ⫺ T0) ⫺ c(cl ⫺ cl,0)] [10] where Ss and Sl are the temperature and solute-dependent
equilibrium constants, p0 is the standard pressure, and cl is
where l,0 is a reference specific mass of the liquid taken at the solute concentration per unit mass. Sieverts’ constant
the nominal temperature, T0, and liquid composition, cl,0. for the liquid, Sl(T, cl), is correlated with temperature and
The terms T and c are the thermal and solutal expansion composition of the liquid by the use of the following
coefficients, respectively. The specific mass of the primary relationship:[7]
solid phase, s , can be considered as constant until a eutectic
reaction occurs (specific mass of the eutectic, e ⫽ s). Sl (T, cl) ⫽
1
As can be seen, two scalar fields appear in Eq. [9]: the K1 fH
pressure in the liquid, pl(x, t), and the volume fraction of
microporosity, gp (x, t). This elliptic-type equation can be 5872
with ln K1 ⫽ ⫹ 3.284 and log10 fH ⫽ eHcl cl ⫹ r Hclcl2
solved, provided appropriate boundary conditions are given T
for the pressure (Section IV), and these two fields are coupled [13b]
via a supplementary equation of state. In the case of alumi-
num alloys, this additional equation is furnished by the segre- where eHcl and r Hcl are interaction solute coefficients on hydro-
gation and precipitation of hydrogen. gen of the first and second order.
冋
deviation, i.e., all nucleation sites becoming active at a unique
再冢 冎册
1/3
2 (1 ⫺ gs)
冣
supersaturation. 3gp
r(gs, 2) ⫽ max r0; min ; [17]
Defining the supersaturation for nucleation as [⌬H]l , pores n 4 n0 2 gs
will form if
until gs ⫽ (1 ⫺ ge)
[H]l(gs) ⱖ [H]*l (T, pl, cl) ⫹ [⌬H]ln [16]
In fact, [⌬H]ln can be converted into a critical radius of where ge is the final volume fraction of eutectic after
curvature of the pore nucleus, r0, by writing [H]l*(T, pl , solidification.
cl) ⫹ [⌬H]ln ⫽ [H]l*(T, pp , cl), thus allowing to find pp via
Eq. 15. Since pore nucleation is heterogeneous in nature
IV. BOUNDARY CONDITIONS
(i.e., significantly large value of r0 and small value of
[⌬H]ln), the presence of a nonwetting phase in the liquid, Since the coupled Darcy- and mass-conservation equa-
such as oxide particles,[1] is required (Figure 3). tions must normally be solved only in the mushy zone, it is
In gas porosity,[1] pores can be considered as spherical, necessary to introduce conditions at all the boundaries of
since they appear at an early stage of solidification and are this region. In previous articles dealing with microporosity
not too much constrained by the solid network. Conse- formation, such computations were extended in the solid
quently, Eq. 15, applied during the entire growth of the and liquid phases by using a penalty method, i.e., by setting
pores, allows the deduction of the pressure field, pl , and the a very small, respectively large, permeability. However, as
fraction of porosity field, gp . However, initial nucleation shown by Ampuero et al.,[6] special care has to be taken for
and growth of pores in a constraining network of well- the boundary condition imposed on the eutectic front grow-
developed dendrites, require to describe an average radius ing in between the dendrites in order to respect mass conser-
of the curvature of the pores. The complete growth of a vation and predict accurately the pressure field.
pore, from the instant of heterogeneous nucleation until the In the present mushy-zone refinement technique, it is also
last growth stage when the pore morphology is constrained essential to define appropriate boundary conditions at all
by the secondary dendrite arms, is shown schematically in the boundaries. As illustrated in Figure 2, it is, therefore,
Figure 3. In such cases, the radius of nucleation, r0, is kept necessary to first distinguish the nature of the remaining
constant until the volume fraction of pores corresponds to liquid regions that can be present in a casting. A region of
spherical pores. From that instant, the average radius of liquid is a continuous portion of the solidifying domain
curvature is a function of the volume fraction of solid, gs , where only the liquid phase is present. It can be one of
and of the secondary dendrite-arm spacing, 2, in order to the following.
face can move downward in order to compensate for where the indices i and j refer to cell locations; Kij and Mii
shrinkage, and a Dirichlet condition, Eq. [18], ( p ⫽ pa) are the rigidity and (diagonal) mass matrices, respectively;
is applied. The volume of pipe shrinkage appearing at Gi is the contribution of gravity; and bi the term obtained
this surface is obtained by evaluating the integral of the from boundary conditions (implicit summation over repeated
fluid flow over the open-region boundary (Eq. [23]). indices has been assumed). For the time discretization, the
This volume is distributed evenly among all the cells of following implicit scheme has been used in order to avoid
the surface for which gs ⬍ gs,c . When all these cells are an instability-driven limitation of the time-steps:
冋
empty, a next row of cells is automatically considered,
thus allowing to predict the shape of pipe shrinkage.
n⫹1
gp,i ⫺ gnp,i ⌬gs,i
Kijpljn⫹1 ⫹ Mii ⫺l,i ⫹ (s,i ⫺ l,i) ⫹
(b) When gs ⬎ gs,c at some point, the solid is supposed to ⌬t ⌬t
册
remain fixed and a homogeneous Neumann condition,
Eq. [19], is imposed. (The remark already made for ⌬l,i
(1 ⫺ gs,i ⫺ gp,i) ⫺ Gi ⫽ b i [26]
liquid in contact with the mold (IIa) applies here.) ⌬t
Prescribing all the boundary conditions, as mentioned in for i ⫽ 1, Nc
(I) through (V), allows one to calculate the pressure in the
liquid, pl, the volume fraction of microporosity, gp, and the The last two terms in the square brackets are obtained
volume of the macropores, Vp (refer to the numerical details from the thermal calculation (shrinkage) and specific mass
in Section V). Furthermore, the volume of macropores is variation. Therefore, two unknown fields, { pl,i} and {gp,i},
distributed among the highest cells of isolated liquid regions have to be calculated from Eq. [26] and by applying the
as solidification proceeds. Finally, at free boundaries where model of segregation/precipitation of gas (Section III).
a Dirichlet condition is imposed (I) and (Va), the calculated Because these two fields are related locally for each cell but
pressure field allows the deduction of the velocity field at through nonlinear functions, the system is nonlinear. In order
such boundaries and, thus, pipe shrinkage, i.e., lowering of to linearize the function gp,i (pl,i , Ti , gs,i), one iteration of
free surfaces. Therefore, the whole model combines micro- Newton’s method is performed for each node.[6]
冋 册
porosity, macroporosity, and pipe shrinkage calculation in a n
consistent way. This is done only for the cells falling in ⭸gp
n⫹1
gp,i ⫽ gnp,i ⫹ n⫹1
( pl,i ⫺ pnl,i) [27]
mushy elements, therefore, with a sufficient accuracy and ⭸pl i
冋 册 冋 册
for the domain of interest. n n
Finally, it should be noted that the calculation of the ⭸gp ⭸gp
⫹ (T in⫹1 ⫺ T ni) ⫹ n⫹1
(gs,i ⫺ gns,i)
integral, Eq. [23], close to the liquidus has 1 to 2 pct inaccu- ⭸T i
⭸gs i
racy because of the very wide range of permeability across
the mushy zone. These errors cumulate over time. In order to The first derivatives of gp , with respect to pl , T, and gs
respect the overall mass balance over the entire solidification are calculated analytically from Eq. [12] and using the related
Fig. 5—1-D test of the IBC implemented for the pressure in partially-
VI. RESULTS AND DISCUSSION closed liquid regions.
Several test cases of increasing complexity are presented
in this section. First, a 1-D situation is considered in order
to validate the implementation of the IBC for partially closed
of Figure 5), the pressure first increases from the atmospheric
liquid pockets. Then, several 2-D calculations are performed
pressure in the open-liquid pocket because of the metallostatic
in order to illustrate the effects of various parameters and contribution. The pressure drop in the first mushy zone is such
to verify the accuracy of the model. Finally, a 3-D situation
that the liquid velocity entering the partially closed liquid
with a large number of cells clearly shows the efficiency of
pocket exactly compensates for shrinkage in the second mushy
the algorithms. The 2-D and 3-D versions of microporosity zone near the mold (left boundary). The pressure in this cavity,
formation have been implemented in the corresponding ver- unknown at the beginning, is around 70 kPa at the highest
sions of the software CALCOSOFT,* this later being used point (with respect to gravity) and also increases with depth.
*The software CALCOSOFT, a joint development of the Ecole Polytech- Setting up a cavitation pressure of 80 kPa (continuous curve)
nique Fédérale de Lausanne and Calcom SA, Switzerland, is dedicated to shifts the pressure profile upwards to this value. As a conse-
the 2-D/3-D modeling of continuous processes, such as continuous casting, quence, the amount of liquid flowing from the open cavity
direct-chill casting, strip casting, as well as of advanced solidification
processes.
will be lowered, while solidification shrinkage in the mushy
zone is the same. Therefore, the mass balance given by Eq.
to perform the thermal calculations. This FE method software [23] directly gives the volume of the macropore that appears
was also modified to handle the cell definition, and visualiza- in the partially closed liquid region. The amount of liquid
tion of porosity results. flowing from the right boundary is also lowered, but one
In order to test the IBC (IIIa), the 2-D model was first clearly sees the difficulty in predicting the amount of pipe
applied to a 1-D thermal situation, neglecting microporosity shrinkage from the integral (Eq. [23]) applied to the liquidus
formation (Figure 5). For that purpose, a very narrow domain position on the right. The pressure profiles of the dashed and
was selected with appropriate thermal boundary conditions at continuous curves are nearly identical because the permeability
the lateral surface. Cooling conditions on the lateral side were in this region is very large. This is why it is necessary to
chosen in order to obtain a partially closed liquid pocket correct such integral(s) with the help of the overall mass
located in between two mushy zones. The transverse Biot balance (Eq. [24]).
number, i.e., the product of the heat-transfer coefficient and In all the 2-D and 3-D examples that are shown hereafter,
transverse dimension of the domain, divided by the thermal the volume fraction of microporosity is indicated with the help
conductivity of the alloy, was very small to ensure a nearly of a yellow-green palette, whereas macroporosity and pipe
uniform temperature across the width. The thermal boundary shrinkage are indicated by orange and red colors. The scale
conditions at both ends of this 1-D domain were adiabatic. of the first palette is given for each figure, while orange and
The gray levels at the top of Figure 5 indicate the amount of red mean 0 to 50 pct and 50 to 100 pct volume fraction of
solid according to the scale on the right. For the pressure drop void, respectively. Moreover, the amount of hydrogen is set
calculation, it was assumed that no liquid could flow on the to 0.15 ccSTP/100 g* of metal unless it is explicitly given.
lateral sides of the domain and on the left (i.e., mold). On the
*For aluminum alloys, 0.1 cm3 of hydrogen at standard conditions of
right boundary, a Dirichlet boundary condition was applied, pressure and temperature in 100 g of metal corresponds roughly to 1 ppm.
and gravity was assumed to be horizontal, toward the left. For
the sake of simplicity, the specific masses of the solid and The first 2-D example shown in Figure 6 has been inspired
liquid were assumed to be constant but different. Calculations by the A1-4.5 wt pct Cu sand-mold casting calculated by
of the pressure drop in the domain were performed with and Kubo and Pehlke.[4] For the heat-flow simulation, a uniform
without introducing a cavitation pressure. heat-transfer coefficient of 42 W m⫺2 K⫺1 was imposed at
When no cavitation pressure is introduced (dashed curve all the sand-metal boundaries, and an adiabatic condition
Fig. 7—(a) and (b) Influence of the microstructure via the critical volume
fraction of solid, gs,c , on the final microporosity, macroporosity, and pipe
shrinkage in a Y-shape Al-4.5 wt pct Cu sand mold casting (conditions in
Table I).
and symmetry plane section, whereas Figure 10(d) corres- VII. CONCLUSIONS
ponds to selected transverse sections. As can be seen, pipe
shrinkage is very important in the extreme right riser, which A FV model for the prediction of microporosity, macropo-
has the largest volume and remains liquid for a long period rosity, and pipe shrinkage during the solidification of alloys
of time, whereas the three other risers have moderate pipe has been developed for 2-D (cartesian and axisymmetric) and
shrinkage. There is no macroshrinkage cavity, which indi- 3-D geometry. It includes all the basic physical phenomena,
cates that rigging was correctly made, and the amount of which are at the origin of microporosity. In particular, pres-
microporosity is maximum near the pipe-shrinkage holes. sure drop in the mushy zone, segregation of gas, equilibrium