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The use of the ProCast software to simulate the process of investment casting of
alloy based on titanium aluminide TNM-B1 into ceramic molds

Article  in  Russian Journal of Non-Ferrous Metals · January 2014

DOI: 10.3103/S1067821214010039

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ISSN 10678212, Russian Journal of NonFerrous Metals, 2014, Vol. 55, No. 1, pp. 15–19. © Allerton Press, Inc., 2014.
Original Russian Text © V.E. Bazhenov, A.V. Koltygin, A.V. Fadeev, 2013, published in Izvestiya VUZ. Tsvetnaya Metallurgiya, 2013, No. 6, pp. 9–13.

FOUNDRY

The Use of the ProCast Software to Simulate the Process

of Investment Casting of Alloy Based
on Titanium Aluminide TNMB1 into Ceramic Molds
V. E. Bazhenov*, A. V. Koltygin**, and A. V. Fadeev***
National University of Science and Technology “MISiS”, Leninskii pr. 4, Moscow, 119049 Russia
*email: V.E.Bagenov@gmail.com
**email: misistlp@mail.ru
***email: avftitan@mail.ru

Abstract—The possibility of simulation the process of casting of the titanium aluminidebased TNMB1 alloy
in the ProCast software is considered. The solidification parameters found using the ProCast and Thermo
Calc thermodynamic databases are compared. It is shown that it is preferable to use alloys available in the
ProCast database for simulation. For various variants of the composition of the TNMB1 alloy, we evaluated
the conventional castability and showed that, in order to attain its maximal values, the alloys should be doped
by the upper limit of admissible concentrations. A material for a cast mold called corundum ceramics
(National University of Science and Technology “MISiS”, Moscow) with properties differing from those of
available in the database ProCast system for computer simulation of casting processes was proposed.

Keywords: titanium aluminide, TNMB1 alloy, simulation of casting processes, castability, ProCast, Thermo
Calc

DOI: 10.3103/S1067821214010039

INTRODUCTION used as a binder [3–4]. To reduce the chemical inter

The adequacy of the results of simulation for actual
production processes is often doubted. There are many
reasons for this. Properties of necessary materials can
not always be found in databases of computer simula
tion systems of casting processes (further CSS CP) [1].
This is especially important for new promising alloys,
for example, for γTiAlbased TNMB1 alloy [2]. The
presence of the properties of the mold material in the
CSS CP database is of no lower importance. For
example, corundumbased ceramic molds are used to
produce castings of the TNMB1 alloy.
In this article we compare the published data on the
thermalphysical characteristics of corundum ceram
ics with those available in the ProCast software. We
also compared the properties of the TNMB1 alloy in
the ProCast software with those computed in the
ThermoCalc software.
action of the poured metal with the mold material, the
first layers are made based on yttria or another material
inert to alloy components. The properties of such a
mold in the database of materials in the ProCast soft
ware are absent.
To simulate the foundry processes into ceramic
molds, the ceramic material, the thermalphysical
properties of which are presented in Table 1, is used.
Properties of the ceramic mold contained in the data
base of materials of the LVMFlow CSS CP are also
presented there for comparison. It is seen that the pre
sented values of parameters differ considerably. More
over, it is unknown how they are suitable for corun
dumbased ceramics since they are classified as SiO2
based ceramics. In connection with this fact, we ana
lyzed the thermalphysical properties of the corun
dum ceramics based on the published data.

THEORY Ivanov et al. [5] give data on the thermal conductiv

Properties of the Mold Material
A typical material of which the shell molds for cast
ing from γTiAlbased alloy are fabricated, including
the TNMB1 alloy, is corundumbased (Al2O3)
ceramics, where a hydrolyzed solution of ethyl silicate
in alcohol or a ready binder based on silicic acid sol is
ity coefficient of corundumbased ceramic shells
(Table 2), the values of which are considerably lower
than those available in the CSS CP (Table 1). In addi
tion, Marmer [6] gives the values of λ for corundum and
corundumbased materials. It follows from Table 3 that
thermal conductivity for these materials is determined by
their porosity (P): the higher porosity is, the lower λ is.

15
16 BAZHENOV et al.

Table 1. Thermalphysical properties of materials of ceramic forms in the ProCast and LVMFlow CSS CP

Thermal conductivity Heat capacity

Material Software ρ, kg/m3
T, °C λ, W/(m K) T, °C Cp, J/(kg K)

100 0.9 100 1130

650 1.28 400 1130
820 1.32 700 1148
Ceramic ProCast 2011 2010
960 1.35 1000 1103
1120 1.42 1100 1088
1260 1.48 1500 1028
100 2.90 100 900
800 1.60 800 1250
Ceramics LVMFlow, v. 3.1 3700
1600 0.80 1600 1800
2000 0.66 2000 1860

Table 2. Thermal conductivity coefficient of corundum There are no published data to our knowledge on
ceramic shells [5] heat capacity for corundumbased ceramic shells.
They are usually presented for room temperature even
λ, W/(m K), at T, °C for pure corundum. Marmer [6] represents the follow
Conditions
400–600 700–900 1400–1500 ing data: Cp = 1285 J/(kg K) at t = 1200°C and Cp =
1336 J/(kg K) at 1600°C. These values slightly differ
Upon heating 0.78 0.61 0.56 from those available for the ceramic material in the
After calcining 0.83 0.60 0.46 ProCast database.

Table 3. Thermal conductivity coefficients for corundum EXPERIMENTAL

and materials based on it [6]
In order to determine the order of quantities λ, we
Material P, % T, °C λ, W/(m K) measured the density (ρ) of the samples made of
corundum ceramics fabricated at National University
20 29.1 of Science and Technology “MISiS” in burned and
400 12.8 nonburned states. It is evident that its thermal con
Corundum 800 7.0 ductivity should be lower than that of corundum
<5 because of the presence of porosity.
(sintered Al2O3) 1200 6.4
We found the following data: in the nonburned
1400 7.0
state, ρ = 2.46 ± 0.10 g/cm3; after burning at t =
1600 7.6 1000°C for 1 h, ρ = 2.56 ± 0.15 g/cm3. It is seen that
200 3.61 both values are rather close. Knowing the density of
300 2.97 γAl2O3 (3.98 g/cm3), we can determine the porosity
of ceramics. In our case, it is P = (3.98 – 2.5)/3.98 ×
Brick
17
500 2.44 100 ≈ 37%. This means that the values of the thermal
(77.6% Al2O3) 700 2.44 conductivity coefficient should enter the interval
1000 2.44 between values of λ presented in Table 3 for the light
1200 –
weight (P = 58%) and brick (P = 17%). The data pre
sented in Table 2 (according to [5]) correspond well to
200 – these requirements and can be used in further compu
300 0.58 tations.
Lightweight 500 0.58 Thus, to simulate the production processes of cast
58 ing into corundumbased ceramic shells, it is reason
(57.0% Al2O3) 700 0.58
able to use heat capacity of the ceramic material from
1000 0.64 the ProCast 2011 database and the thermal conductiv
1200 0.64 ity coefficient according to data [5]. For t = 100°C, we

RUSSIAN JOURNAL OF NONFERROUS METALS Vol. 55 No. 1 2014

 THE USE OF THE ProCast SOFTWARE TO SIMULATE THE PROCESS 17

Table 4. Thermalphysical properties for the corundum ceramics of MISiS used for simulation in the CSS CP
Thermal conductivity Heat capacity
ρ, kg/m3
T,°C λ, W/(m K) T, °C Cp, J/(kg K)
100 0.9 100 1130
500 0.8 400 1130
800 0.6 700 1148
2500
1400 0.5 1000 1103
1100 1088
1500 1028

selected the value of λ from the ProCast database since
it is absent in [5] for low temperatures. We determined
the density in this study. All these properties are pre
sented in Table 4 and used for simulation in the corun
dum ceramics of MISiS in the CSS CP. We also
selected the ceramic ProCast original material for
comparison without correcting its properties, which
will allows us to conclude how considerable the differ
ence is in results of simulation with the use of various
thermalphysical characteristics of materials of
ceramic shells.
RESULTS AND DISCUSSION
Determination of ThermalPhysical Properties
of Alloys
The alloys based on the titanium aluminide, one of
which is the TNMB1 material (Germany), are prom
ising for casting the blades of gasturbine engines. Its
composition is presented in Table 5.
There is a thermodynamic database in the ProCast
software to calculate various properties of alloys such
as thermal conductivity, density, enthalpy, and the
mass fraction of the solid phase. All these properties
are calculated for a broad temperature range, includ
ing crystallization and further material cooling. The
following limitation exists for the content of compo
nents for titaniumbased alloys: Ti > 75; Al and V < 11;
Mo, Nb, Ta, and Zr < 8; Cr and Sn < 5; Cu, Fe, and
Ni < 3; B, and C, H, N, O, and Si < 0.5 wt %. This
means that we should carefully use the ProCast data
base to calculate alloys with aluminum content higher
than 11 wt % and, in regards to other components, the
TNMB1 alloy corresponds to the mentioned limita
tions for the composition.
We also compared the liquidus and solidus temper
atures of the TNMB1 alloy calculated using the Pro
Cast software with the results found in the Thermo
Calc software for thermodynamic computations. In
the latter case, the computation was performed using
the CALPHAD method. We used the TTTIAL ther
modynamic database, which was formed especially to
compute the phase composition and phase diagrams of
titanium alloys with high aluminum content (titanium
aluminides).
Table 6 represents the liquidus and solidus temper
atures for the TNMB1 alloy (its computational com
position is Ti–27 wt % Al–9 wt % Nb–2.4 wt % Mo)
in ProCast and ThermoCalc software. We also per
formed a computation for the composition Ti–
45.5 at % Al–8 at % Ni, which is present in the Pro
Cast database. It is seen from Table 6 that the crystal
lization onset and finishing temperatures for the
TMNB1 alloy differ almost by 100°C, while their
crystallization range is rather close. The liquidus and
solidus temperatures for the Ti–45.5 at % Al–8 at % Ni
alloy, which were found in ProCast and ThermoCalc
software, differ not as considerably: by 25°C and 49°C,
respectively. The difference in solidus temperatures is
not as critical since the usual crystallization is not
equilibrium, and the actual solidus temperature of the
alloy is unknown. In general, to calculate filling the
molds and solidifying castings of alloys of titanium
aluminide in the ProCast software, we can recom
mend the data available for the materials of the Ti–
45.5 at % Al–8 at % Ni type since they differ insignif
icantly from those available in the ThermoCalc soft
ware. Properties of alloys computed using the ProCast
thermodynamic module cannot be considered com
pletely reliable.
We calculated the polythermal section of the phase
diagram of the Ti–Al–Nb–Mo system at a variable
aluminum concentration (from 20 to 40 wt %) and
constant contents of Nb 9 wt % and Mo 2.4 wt % using
the ThermoCalc software (Fig. 1). It is seen that the
Table 5. Composition of the TNMB1 alloy
Content
Element
at % wt %
Ti Bal. Bal.
A1 40–43 26–28
Nb 3.6–1.5 8–10
Mo 1.0–1.1 2.2–2.6
B 0.08–0.15 0.02–0.04

RUSSIAN JOURNAL OF NONFERROUS METALS Vol. 55 No. 1 2014

18 BAZHENOV et al.

Table 6. Liquidus and solidus temperatures for the TNMB1 alloy

Temperature, °C
Database Computed composition
tliq tsol Δt = tliq – tsol
ProCast 1559 1478 81
Ti–27 wt % Al–9 wt % Nb–2.4 wt %Mo
ThermoCalc 1637 1561 76
ProCast 1585 1445 140
Ti–45.5 at % Al–8 at %Nb
ThermoCalc 1609 1494 115

character of phase transformations and their tempera
ture ranges differ very strongly depending on the
amount of Al in the alloy.
Determination of the Influence of the Content
of Alloying Elements on the Alloy Castability
Allowing for our results, we considered the influ
ence of doping elements on the castability of the
TNMB1 alloy. For this purpose we simulated the pro
cess of filling the sample, which is the mold made of
two materials: the corundum ceramics of MISiS and
ceramic (ProCast 2011) with a wall thickness of
20 mm. There is a void in a mold which is connected
with a channel (Fig. 2). At the initial instant, void 1 is
filled with the melt at temperature 1700°C, while
channel 2 is empty. After startup of the simulating pro
T, °C
1650
1600
L
L+β
1550
L+α+β
1500 β L+α+γ
L+γ
L+α
cess, the melt starts freely flow into the channel. The
melt is cooled in this case and the melt flow is stopped;
the instant of its stopping in the channel is fixed as the
critical amount of crystals of the solid phase (of about
50%) is attained.
During simulating, we do not take into account the
interaction of metal with the mold material, and pour
ing is performed under gravity. This does not corre
spond to the actual conditions of alloy pouring, which
is usually performed under the effect of centrifugal
forces. Therefore, we can speak about “conventional”
castability only; however, it gives the notion of its
actual magnitude and allows us to evaluate how it is
affected by the alloy composition.
We computed the properties of the TNMB1 alloy
and simulated the sample solidification for three vari
ants of the composition. Limitations on the content of
components in the TNMB1 alloy were presented in
Table 5, while the length of the channel filled with the
melt (l, mm), depending on the composition, is pre
sented in Table 7. The analysis of these results allows
us to conclude that, as the content of doping elements
(Al, Nb, Mo) increases, the alloy castability increases.
Its maximal value for both compared materials is
observed for composition 3, where the content of dop
50
2
50 1
10

1450 α+β
100

α
α+γ γ
1400 100 10
20 22 24 26 28 30 32 34 36 38 40 0
Al, wt %

Fig. 1. Polythermal section of the phase diagram of the

Ti⎯Al–Nb–Mo system at contents of Al of 20–40 wt %, Fig. 2. Model of a castability sample. Sizes are given
Nb of 9 wt %, and Mo of 2.4 wt %. in mm.

RUSSIAN JOURNAL OF NONFERROUS METALS Vol. 55 No. 1 2014

 THE USE OF THE ProCast SOFTWARE TO SIMULATE THE PROCESS 19

Table 7. Results of castability simulating for the TNMB1 alloy

Content, wt % Conventional castability l, mm
Composition
no. corundum ceramic
Ti A1 Nb Mo
ceramics (ProCast 2011)
1 Bal. 26 8 2.2 613 413
2 Bal. 27 9 2.4 658 618
3 Bal. 28 10 2.6 753 718

ing elements corresponds to the admissible maximum. ACKNOWLEDGMENTS

An increase in castability with an increase in concen
trations of doping elements can be associated with the
considerable influence of the alloy composition on
liquidus and solidus temperatures (Fig. 1).
CONCLUSIONS
(i) A new mold material, corundum ceramics,
which is fabricated at the National University of Sci
ence and Technology “MISiS” and whose properties
differ from those available in the ProCast software
database, is proposed for simulating the casting pro
cess of alloys of titanium aluminides.
(ii) It is shown using thermodynamic computations
in the ThermoCalc software that, in order to simulate
the casting process for titanium aluminides into
corundum ceramics, it is reasonable to use the alloys
available in the ProCast database, for example, Ti–
45.5 at % Al–8 at % Ni. Liquidus and solidus temper
atures calculated using the builtin ProCast thermo
dynamic database considerably differ from those
found in the ThermoCalc software and, most likely,
do not correspond to reality.
(iii) It is shown by simulating conventional casta
bility that, in order to attain its maximal value, the
TNMB1 alloy should be alloyed by the upper limit of
admissible concentrations.
This study was performed with support from the
Grant from the President of the Russian Federation
for Young Scientists and PostGraduate Students Who
Perform Research and Development in Priority
Directions of Modernization of Russian Economy
(competition for 2012–2015).
REFERENCES
1. Koltygin, A.V., Belov, V.D., Petrovskii, P.V., et al.,
Liteishchik Ross., 2011, no. 11, pp. 22–24.
2. Belov, N.A. and Belov, V.D., .Liteishchik Ross., 2012,
no. 6, pp. 43–46.
3. Jia, Q., Cui, Y., and Yang, R., J. Mater. Sci., 2006,
vol. 41, no. 10, pp. 3045–3049.
4. Kim, MG. and Kim, YJ., Met. Mater. Inter., 2002,
vol. 8, no. 3, pp. 289–293.
5. Ivanov, V.N., Kazennov, S.A., Kurchman, B.S., et al.,
Lit’e po vyplavlyaemym modelyam (Casting According
to Investment Patterns), Shklennik, Ya.I and Ozerov, V.I.,
Eds., Moscow: Mashinostroenie, 1984, 3rd ed.
6. Marmer, E.N., Materialy dlya vysokotemperaturnykh
vakuumnykh ustanovok (Materials for HighTempera
ture Vacuum Installations), Moscow: Fizmatlit, 2007.
Translated by N. Korovin

RUSSIAN JOURNAL OF NONFERROUS METALS Vol. 55 No. 1 2014

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