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Thermotech Ltd., Surrey Technology Centre, The Surrey Research Park, Guildford GU2 7YG, U.K.
Sente Software Ltd., Surrey Technology Centre, The Surrey Research Park, Guildford GU2 7YG, U.K.
Keywords: Physical Properties, Solidification, Mechanical Properties, High Temperature Properties, Creep, TTT/CCT diagrams
giving extensive examples of its application and validation for
multi-component commercial alloys.
Abstract
At the last two Superalloy meetings at Seven Springs, work on the
development of thermodynamic modelling tools for application to
multi-component Ni-based superalloys has been presented. Such
modelling has become quite widespread, providing significant
benefit. However, its applicability often falls short from directly
providing the information that is actually required and, by itself,
cannot be directly used to model properties being targeted by the
end user, e.g. TTT/CCT diagrams, mechanical properties, thermophysical and physical properties. To overcome these limitations a
new computer programme has been developed, called JMatPro, an
acronym for Java-based Materials Properties software. The
properties which can be calculated are wide ranging, including
thermo-physical and physical properties (from room temperature
to the liquid state), TTT/CCT diagrams, stress/strain diagrams,
proof and tensile stress, hardness, coarsening of J c and J s and
creep.
Applications
Thermo-physical and Physical Properties
In the Solid State.
Thermo-physical and physical properties are an important part of
materials science, particularly at the present time when such data
is a critical input for software programmes dealing with process
modelling. A major achievement of the JMatPro software project
has been the development of an extensive database for the
calculation of physical properties that can be linked to its
thermodynamic calculation capability. For individual phases in
multi-component systems, properties, such as molar volume,
thermal conductivity, Youngs modulus, Poissons ratio, etc., are
calculated using simple pair-wise mixture models, similar to those
used to model thermodynamic excess functions in multicomponent alloys.
Introduction
xi Pio xi x j :ijv ( xi x j )v
i
i j !i
(1)
200
150
100
100
150
200
250
D-979
Hastelloy S
Hastelloy X
Haynes 230
Inconel 587
Inconel 596
Inconel 600
Inconel 601
Inconel 617
Inconel 625
Inconel 706
Inconel 718
Inconel X750
M-252
Nimonic 75
Nimonic 80A
Nimonic 90
Nimonic 105
Nimonic 115
Nimonic 263
Nimonic 942
Nimonic PE11
Nimonic PE16
Nimonic PK33
Ren 95
Udimet 500
Udimet 700
Waspaloy
0.1
0.0
250
2.0
[18]
7s
J's
1.5
1.0
0.5
0.0
0
500
1000
1500
[16]
[17]
1000
Temperature ( C)
3.5
2.5
500
Ren 41
Calc.
Exp [19]
Calc (900C)
Calc (800C)
Calc (700C)
-0.4
4.5
3.0
-0.2
-0.3
4.0
-0.1
1500
Temperature ( C)
Figure 2. Comparison between experimental [16,17,18]
and calculated linear expansion for a Ren 41 alloy
Figure 1 compares experimental [15] and calculated Youngs
modulus for various wrought alloys between room temperature
(RT) and 870C, while Figure 2 shows a comparison between
calculated and experimentally measured [16,17,18] linear
expansion for a Ren 41 Ni-based superalloy. For J alloys such as
the Hastelloy types, the phase constitution changes little, if at all,
in the temperature range of interest However for J / J c alloys this
assumption cannot be made. The calculations have therefore been
made assuming that the phases present below the final heat
treatment temperature (FHTT) are those calculated at the FHTT
and kinetically frozen in. Above the FHTT, the phases are
allowed to equilibriate, which leads to, for example, the
dissolution of J c . This approach provides excellent results and is
consistent with a simple Dt calculation that suggests that at
temperatures between 750-850C (where most J / J c wrought
alloys are heat treated) diffusion distances would become
comparable to that of J c particle spacings.
During Solidification
The thermo-physical and physical properties of the liquid and
solid phases are critical components in casting simulations. Such
properties include the fraction solid transformed, enthalpy release,
thermal conductivity, volume and density, all as a function of
temperature. However, due to the difficulty in experimentally
determining such properties at solidification temperatures, little
information exists for multi-component alloys. The calculation of
physical properties has therefore been extended to include their
calculation for solidification.
Recently the application of so-called Scheil-Gulliver (SG)
modelling via a thermodynamic modelling route has led to the
ability to predict a number of critical thermophysical properties
for alloys such as Ni-based superalloys [2,20,21].
Such
calculations can be computationally very fast and readily used
within solidification packages. The model assumes that solute
850
8.0
7.9
625
-3
Density (g cm )
7.8
7.7
718
7.6
7.3
7.2
1150
1200
1250
1300
1350
1400
1450
Temperature ( C)
Figure 5. Calculated densities of the liquid phase during
solidification of 625, 718 and 706 alloys (bold lines).
Fine lines show the density of the liquid alloys
extrapolated from high temperature (TL is the liquidus).
0
-1
18
-2
16
Visocity (mPa s)
706
7.4
-3
-4
-5
-6
-7
1150
TL
7.5
718
713
14
718
12
10
713
8
6
1200
1250
1300
1350
1400
1450
Temperature ( C)
1000
1100
1200
1300
1400
1500
Temperature ( C)
Figure 6. Calculated viscosity of the liquid during
solidification of alloys 713 and 718. Experimental data for
the fully liquid state [28] shown for comparison.
Fine detail can be obtained, for example the density of the liquid
in the mushy zone (Figure 5), which can be utilised for the
calculation of casting defects and, potentially, macrosegregation
in ingot casting and re-melting processes. In this case we have
shown the varying behaviour of liquid phase in the mushy zone
for 3 superalloys, showing the quite different behaviour of alloy
706, which shows signs of a density inversion, in comparison to
718 and 625. Such behaviour is consistent with observations of
defects in these alloys and various calculations of liquid density of
Auburtin et al. [27].
851
Temperature F
2000
1900
1800
1700
1600
1500
1400
1300
1200
1100
1000
G
J
718
V
0.01
0.1
10
100
1000 10000
Time (hours)
Figure 7. (a) Experimentally observed [30] and calculated [10] TTT diagram for alloy 718.
'
"
Laves
1050
950
Temperature ( C)
1000
900
850
800
750
700
650
10000 C/hr
1000 C/hr
100 C/hr
600
0.01
0.1
10
Time (hrs)
Figure 8. Calculated CCT diagram for alloy 706
Figure 7 shows the calculated TTT diagram [10] for a 718 alloy
and compares it with experiment [30]. In this case the J c , J s and
phases are considered to form from supersaturated J, quenched
from the solution temperature, while forms from transformed J
at the temperature of calculation. For alloys of this type, the CCT
diagram is often of equal importance and it is possible to convert a
TTT diagram to a CCT diagram using well-known additivity rules
[31]. Figure 8 shows a calculated CCT diagram for alloy 706.
1000
U720 (), U720Li ( free)
U720/U720Li ()
U720/U720Li ( free)
900
U720
Temperature ( C)
950
850
U720LI
800
750
700
650
10
100
1000
10000
Time (hrs)
Figure 9. Calculated TTT diagrams for U720 and U720LI
with experimental results of Keefe et al. [32] superimposed.
852
Temperature (C)
1200
RR2071
1000
P
800
1000
Ni-Al
Nimonic 80A
Nimonic 90
Nimonic 105
Nimonic 115
Nimonic 263
Nimonic PE11
Nimonic PE16
Nimonic PK 33
Udimet 700
IN 738
1/3
100
10
0.1
0.1
[33]
10
100
1000
1/3
10
100
1000
10000
Time (hrs)
Figure 10. Calculated TTT diagram for the single
crystal alloy RR2071 with experimental results of
Rae at al. [33] superimposed
Figure 10 shows the results that can now be achieved for TTT
calculations of such alloys. The alloy RR2071 is a good example
to use as it exhibits the formation the three TCP phases, , P and
[33]. The calculations show clearly the close competition in
stability. The fast formation of which is either metastable or the
minor phase in the alloy is also interesting as such fast formation
of was noted by Rae et al. [33], where it was often seen as a
precursor to the formation of the more stable phases.
Coarsening of J c and J s .
An important feature of Ni-based superalloys is coarsening of J c
and J s at high temperatures, both for processing and service life.
Recently, Li et al. [34] have shown how a combination of
CALPHAD calculations and existing theory of Ostwald ripening
[35, 36, 37] can be used to calculate coarsening rates of Ni-based
superalloys to a high level of accuracy. The CALPHAD
calculations provides critical information concerning the
composition of J c and J s and allows the calculation of the J/J
and J / J s interfacial energy (V) for use in the relevant kinetic
equation shown below.
r(t3) ro3
8DV ND (1 ND )Vm
t
9H D ( N E ND ) 2 RT
(2)
Vy
853
V o kd
1
2
(3)
1600
0.2% Proof Stress, MPa
YS 1
YS0 M
YS0 1.72M
WZ f
J d
1.28 APB 1
ZW
2bd
800
600
20Cr-1.2Co-2.4Ti-1.5Al
400
10
20
30
40
50
60
70
80
90
100
(4)
1400
Nimonic 80A
1200
YS2
1000
1
2
1200
1
2
700
800C
f=0.2019
f=0.1473
200
J APB J APB fd 2
)
f
2b W
650C
750C
f=0.2201
f=0.1783
1400
Nimonic 90
Nimonic 105
1000
(5)
Nimonic 263
800
Nimonic PE11
Nimonic PE16
600
Nimonic PK 33
Udimet 700
400
Udimet 720
Rene 18
200
0
0
200
400
600
PS1
854
3
2
rf 2
1.7GH
b
(6)
-1
100
-7
b 4
r
Alloy 625
Alloy 718
PS2
1 1
2H 4
1000
(7)
Alloy 800
INCX750
Mar 246
10
Mar-M002
Nimonic 75
Nimonic 80A
Nimonic 90
Nimonic105
0.1
Nimonic 115
Udimet 500
0.01
Udimet 520
Udimet 700
0.001
Waspaloy
0.001
Based on the above method, calculations have been made for the
room temperature strength of a 718 alloy based on a J grain size
of 100 m and J c and J s particle sizes of 15 and 25 nm
respectively, after Chaturvedi and Han [52], which is consistent
with other studies of 718 and variants [40,53]. 0.2% proof stress
is calculated as 1223 MPa in comparison to the range found in
commercial 718 alloys of 1185-1365 MPa.
0.01
0.1
10
100
-7
1000
-1
Creep
H
J
V Vo
ADeff SFE
Gb E
tr
(8)
DH E
(9)
1000
800
600
400
200
0
0
200
400
600
800
1000
Inconel 601
Inconel 617
Inconel 625
Inconel 718
Inconel X750
Nimonic 75
Nimonic 80A
Nimonic 81
Nimonic 86
Nimonic 90
Nimonic 105
Nimonic 115
Nimonic 263
Nimonic 901
Nimonic PE11
Nimonic PE16
Nimonic PK33
Rene 41
Rene 95
Udimet 520
Udimet 720
Udimet D-979
Waspaloy
855
Q
RT
V (T ) a E exp
900
CM SX-486
CM SX-10
800
CM SX-11B
1000
MC
700
M XON
CM SX-2
10000
(10)
PWA 1480
100
PWA 1484
Ren N6
TM S
YH61
10
10
100
1000
10000
100000
Calc.
[76]
Nimonic 105
600
500
400
300
200
Nimonic 75
100
0
0
200
400
600
800
Temperature ( C)
The use of physically based models also means that the true interrelationship between properties has been developed for complex
situations such as in the modelling of creep and precipitation
hardening. A key factor in the success of the approach has been
the extensive validation of calculated results against experiment.
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1100
1000
900
800
700
600
500
400
300
200
100
0
0
200
400
600
800
1000
1200
Pure Nickel
Nimonic 75
Nimonic 80A
Nimonic 90
Nimonic 105
Nimonic 115
Nimonic 263
Nimonic 901
Nimonic PE11
Nimonic PE16
Nimonic PK33
Nimonic PK33
Hastelloy X
Inconel 625
Inconel 718
Inconel X750
Udimet R41
Udimet 520
Udimet 700
Udimet 720
Udimet D979
Waspaloy
858