1. PanAluminum
Thermodynamic database for multi-component Aluminum-rich
casting and wrought alloys
Copyright © CompuTherm LLC
Al
Ag
B
Be
Bi
C
Ca
Ce
Co
Cr
Cu
Fe
Gd
Ge
Hf
K
Li
MgMn
Na
Nb
Ni
Pb
Sb
Sc
Si
Sn
Sr
Ti
V
W
Y
Zn
Zr
1.1 Components
Total of 34 components are included in the database as listed here:
Major alloying elements: Al, Cu, Fe, Mg, Mn, Si and Zn
Minor alloying elements: Ag, B, Be, Bi, C, Ca, Ce, Co, Cr, Gd, Ge, Hf, K, Li, Na,
Nb, Ni, Pb, Sb, Sc, Sn, Sr, Ti, V, W, Y, and Zr
1.2 Suggested Composition Range
The suggested composition range for each element is listed in Table 1.1. It
should be noted that this given composition range is rather conservative. It is
derived from the chemistries of the multicomponent commercial alloys that
have been used to validate the current database. In the subsystems, many of
these elements can be applied to a much wider composition range. In fact,
some subsystems are valid in the entire composition range as given in section
1.5.
Table 1.1: Suggested composition range
Element
Composition Range (wt.%)
Al
80 ~ 100
Cu
0 ~ 5.5
Fe
0 ~ 2.0
Mg
0 ~ 7.6
Mn
0 ~ 1.2
Si
0 ~ 17.5
Zn
0 ~ 8.1
others
0 ~ 1.0
For many binary and ternary systems, there is no composition limit and they
are covered in the full range from 0-100% as detailed in the Tables below. The
components are classified as "Minor" even though their coverage in binary
systems is similar to most "Major" components. However, they are covered less
extensively in ternary systems as detailed in section 1.5.
1.3 Whats new in PanAl2020
Major improvements made in PanAl2020 include enhanced assessment of the
Al-Fe-Ni, Al-Mg-Sc, Al-Sc-Si, and Al-Si-Sr ternary systems. Other
improvements include extended in depth descriptions concerning mutual
interactions of components in multicomponent alloys.
1.4 Phases
Total of 851 phases are included in the current database. The names and
thermodynamic models of some phases are given in Table 1.2. Information on
all phases will be displayed in the TDB viewer of Pandat or can be found at
www.computherm.com.
Table 1.2: Phase name and related information
Name
Lattice Size
Constituent
Ag5Zn8
(2)(2)(3)(6)
(Ag,Zn)(Ag)(Ag,Zn)(Ag,Zn)
AgMg3
(0.23)(0.77)
(Ag,Cu)(Al,Mg)
AgMg4
(0.2)(0.8)
(Ag,Cu)(Al,Mg)
Al18Mg3V2
(18)(3)(2)
(Al)(Mg)(V)
Al2Fe
(2)(1)
(Al)(Cr,Fe,Mn)
Al2LiMg
(0.53)(0.33)(0.14)
(Al)(Li)(Mg)
Al2W
(2)(1)
(Al)(W)
Al5Fe2
(5)(2)
(Al)(Cr,Fe,Mn)
Al5Fe4
(1)
(Al,Fe,Mn)
Al8FeMg3Si6
(8)(3)(1)(6)
(Al)(Mg)(Fe)(Si)
Al8FeMnSi2
(16)(2)(2)(3)
(Al)(Fe)(Mn)(Si)
AlCu_Theta
(0.667)(0.333)
(Al)(Ag,Al,Cu)
AlMg_Gamma
(10)(24)(24)
(Ca,Mg)(Al,Cu,Li,Mg,Zn)(Al,Cu,Mg,Zn)
Alpha_AlFeSi
(0.66)(0.19)(0.05)(0.1)
(Al)(Fe)(Si)(Al,Si)
Cu3Mg2Si
(3)(2)(1)
(Cu)(Mg)(Si)
Delta_AlFeSi
(5)(1)
(Al,Si)(Fe)
Fcc
(1)(1)
(Ag,Al,Be,Bi,Ca,Ce,Co,Cr,Cu,Fe,Gd,Ge,Hf,K,
Li,Mg,Mn,Na,Nb,Ni,Pb,Sb,Sc,Si,Sn,Sr,Ti,V,W
,Y,Zn,Zr)(B,C,Va)
Gamma_AlFeSi
(0.635)(0.205)(0.16)
(Al)(Fe)(Si)
Li2MgSi
(0.5)(0.25)(0.25)
(Li)(Mg)(Si)
LiMg2Si
(0.5)(0.25)(0.25)
(Mg)(Si)(Li,Va)
Mu
(7)(2)(4)
(Co,Fe,Mn,Nb,W)(Nb,W)(Co,Fe,Nb,W)
NbSn2
(1)(2)
(Nb)(Sn)
Q_Al5Cu2Mg8
Si6
(0.2381)(0.0952)(0.381)(0.2
857)
(Al)(Cu)(Mg)(Si)
T10_AlFeSi
(0.6)(0.25)(0.15)
(Al)(Fe)(Si)
T11_AlFeSi
(0.6538)(0.2308)(0.1154)
(Al)(Fe)(Si)
1.5 Key Elements and Subsystems
The modeling status for the constituent binaries and ternaries are given in
Table 1.3 and Table 1.4. The color represents the following meaning:
: Full description
: Full description for major phases
: Extrapolation
Table 1.3: Modeling status of constituent binary systems
Table 1.4: Modeling status of constituent ternary systems
Ag-Al-Cu
Ag-Al-Ge
Ag-Al-Mg
Ag-Al-Si
Ag-Al-Zn
Ag-Cu-Mg
Al-Be-Si
Al-Ca-Mg
Al-Ce-Cu
Al-Ce-Mg
Al-Co-Cu
Al-Co-Fe
Al-Co-Mn
Al-Co-Si
Al-Cr-Fe
Al-Cr-Ni
Al-Cr-Si
Al-Cu-Fe
Al-Cu-Li
Al-Cu-Mg
Al-Cu-Mn
Al-Cu-Sb
Al-Cu-Si
Al-Cu-Zn
Al-Fe-Mg
Al-Fe-Mn
Al-Fe-Ni
Al-Fe-Si
Al-Fe-Zn
Al-Gd-Ni
Al-Ge-Si
Al-Li-Mg
Al-Li-Si
Al-Li-Zn
Al-Mg-Mn
Al-Mg-Na
Al-Mg-Sb
Al-Mg-Si
Al-Mg-V
Al-Mg-Zn
Al-Mn-Si
Al-Si-Sn
Al-Si-Sr
Al-Si-Ti
Al-Si-Zn
Al-Si-Zr
Cu-Mg-Si
Cu-Mg-Zn
Fe-Mn-Si
Li-Mg-Si
Mg-Li-Si
Mg-Si-Zn
1.6 Database Validation
The PanAl database is validated by a large amount of phase equilibrium data.
Two examples are shown here. Figure 1.1 shows the calculated isotherm of Al-
Cu-Mg-Si at 500ºC with Si content of 1.8wt%. The experimental data of D.P.
Smith [1962Smi] are plotted on it for comparison. Figure 1.2 shows the
calculated isopleth of Al-Fe-Mg-Si at 4wt.%Mg and 0.5wt.%Fe with
experimental data from Phillips [1961Phi].
Al
B
Be
Bi
C
Ca
Ce
Co
Cr
Cu
Fe
Gd
Ge
Hf
K
Li
Mg
Mn
Na
Nb
Ni
Pb
Sb
Sc
Si
Sn
Sr
Ti
V
W
Y
Zn
Zr
Ag
Al
B
Be
Bi
C
Ca
Ce
Co
Cr
Cu
Fe
Gd
Ge
Hf
K
Li
Mg
Mn
Na
Nb
Ni
Pb
Sb
Sc
Si
Sn
Sr
Ti
V
W
Y
Zn
Figure 1.1: Comparison of a calculated isothermal section of Al-Cu-Mg-Si at
1.8wt%Si and at T=500C with the experimental data [1962Smi]
Figure 1.2: Comparison of a calculated isopleth of Al-Fe-Mg-Si at 4wt.%Mg and
0.5wt.%Fe with the experimental data [1961Phi]
In addition to the validation of phase equilibria, the current database has also
been subjected to extensive validation by the solidification data of commercial
aluminum alloys. The predicted liquidus and solidus temperatures of cast and
wrought are shown in Figure 1.3 ~ Figure 1.6 with experimental data,
respectively.
Cast aluminum alloys: 201, 206, 208, 242, 295, 296, 308, 319, 356, 357,
359, 360, 380, 383, 384, 390, 771, 850
Wrought aluminum alloys: 2014, 2017, 2024, 2036, 2124, 2218, 2219, 2319,
3003, 3004, 3105, 4032, 5052, 5056, 5083, 5086, 5154, 5182, 5356, 5454,
5456, 5457, 6005, 6009, 6010, 6061, 6063, 6066, 6070, 6101, 6151, 6201,
6205, 6351, 6463, 7005, 7039, 7049, 7075, 7178, 7475
Figure 1.3: Comparison between calculated and experimentally measured
liquidus temperatures of cast aluminum alloys
Figure 1.4: Comparison between calculated and experimentally measured
solidus temperatures of cast aluminum alloys
Figure 1.5: Comparison between calculated and experimentally measured
liquidus temperatures of wrought aluminum alloys
Figure 1.6: Comparison between calculated and experimentally measured
solidus temperatures of wrought aluminum alloys
The solidification paths of several commercial aluminum alloys were
experimentally investigated by Backerud et al [1986Bac]. The simulated
solidification paths using both Scheil model and lever rule for four of these
alloys (319.1, A357.2, A6351, A7075) are shown in Figure 1.7 ~ Figure 1.10
with the experimental data of Backerud et al [1986Bac].
Figure 1.7: Comparison between calculated and experimentally measured
solidification paths of 319.1 aluminum alloy
Figure 1.8: Comparison between calculated and experimentally measured
solidification paths of A357.2 aluminum alloy
Figure 1.9: Comparison between calculated and experimentally measured
solidification paths of AA6351 aluminum alloy
Figure 1.10: Comparison between calculated and experimentally measured
solidification paths of AA7075 aluminum alloy
This database can also supply important parameters for processing simulation.
One of these parameters is partition coefficient. The calculated partition
coefficients have also been extensively validated. Examples for two Al-Cu-Mg-
Zn quaternary alloys are given below. Figure 1.11 and Figure 1.12 show
comparisons between calculated and measured partition coefficient for Al-4Cu-
0.9Mg-2.6Zn (wt%) and Al-2.5Cu-1.3Mg-2.63Zn (wt%), respectively. The good
agreement between the experimental and calculated results, as shown in these
figures, indicates the reliability of the current PanAl thermodynamic database
in providing thermodynamic input for processing simulation.
Figure 1.11: Calculated and experimentally determined [1998Lia] partition
coefficients of Al-4Cu-0.9Mg-2.6Zn (wt%) alloy
Figure 1.12: Calculated and experimentally determined [1998Lia] partition
coefficients of Al-2.5Cu-1.3Mg-2.63Zn (wt%) alloy
1.7 References
[1962Smi] D.P. Smith, Metallurgia, 1(1962): 223-229.
[1961Phi] H.W.L. Phillips, Equilibrium diagrams of aluminum alloy
systems, The aluminum development association, Information
Bulletin 25, London, 1961: 105-108.
[1986Bac] L.Backerud, E. Krol, and J. Tamminen, Solidification
Characteristics of Aluminum Alloys”, 1986, Oslo: Tangen Trykk
A/S.
[1998Lia] P. Liang, T. Tarfa,J.A. Robinson, S.Wagner, P.Ochin, M.G.
Harmelin, H.J. Seifert, H.L. Lukas,F. Aldinger, Experimental
investigation and thermodynamic calculation of the Al-Mg-Zn
system, Thermochim. Acta, 314 (1998): 87-110.