Thermodynamic Databases
Thermodynamic calculations require a thermodynamic database for the
material system of interest. Thermodynamic databases are developed by teams of
experts critically assessing all experimental phase equilibrium and
thermodynamic data. Databases for commercially important alloys, which often
contain more than a dozen elements, are obtained by extrapolating from binary,
ternary, and quaternary sub-systems. CompuTherm offers thermodynamic databases
of the highest quality that have been extensively tested and verified for
commercial alloys. The thermodynamic databases listed below are available for
a fee.
PanAluminum
A thermodynamic database for multi-component aluminum-based alloy systems
that includes most of the elements used in commercial aluminum alloy systems
and covers most of the phases present in the commercial aluminum alloys.
Components and Phases
20 Components
Major alloy elements:
Al, Cu, Fe, Mg, Mn, Si, and Zn
Minor alloy elements: Ag, B, C, Cr, Ge,
Hf, Ni, Sc, Sn, Sr, Ti, V, and Zr
Major phases:
liquid, Fcc-A1 (Al),
Diamond_A4 (Si), Al5Cu2Mg8Si6,
Al8Fe Mg3Si6, Eps,
Sigma (Al, Cu, Zn)2Mg
(σ),
T-(Al, Cu, Zn)49Mg32, Al20Cu2Mn3,
Al23CuFe4,
Al7Cu2Fe, S-Al2CuMg,
TAO (τ),
alpha-AlFeSi, beta-AlFeSi, AlMnSi-Beta,
AL15_FeMn3Si2 (α-AlMnSi), AlCu_Theta (θ), Al13Fe4,
AlMg_Beta, Al11Mn4,
Al12Mn, Al4Mn, AL6_FeMn, Al3Ni1, AlSr4, Mg2Si, Al3Zr,
and Al3Sc_x
Composition Limit
Element
Composition Range (wt%)
Al
80 ~ 100
Si
0 ~ 17.5
Zn
0 ~ 8.1
Mg
0 ~ 7.6
Cu
0 ~ 5.5
Mn
0 ~ 1.2
Fe
0 ~ 1.0
other
0 ~ 0.5
Application
Solidification, Heat Treatment, Welding, Alloy Design of Multicomponent
Cast and Wronght Al-based Alloys
PanIron
A thermodynamic database for multi-component iron-based alloys that includes most of the elements used in
iron and steels, and covers most of the phases present in the commercial
steel alloys.
Components and Phases
20 Components: Al, B, C, Co, Cr, Cu, Fe,
Mg, Mn, Mo, N, Nb, Ni, P, S, Si, Sn, Ti, V, and W.
100 Phases:
Liquid, BCC_A2 (ferrite), HCP_A3, FCC_A1 (austenite),
Cementite, Chi_A12,
Laves_c14, M23C6, M3C2, M6C,
Shp_MC, Fe4N, MS, KSi_Carbide, M2P, M3P,
Mu_Phase, P_Phase, R_Phase, Sigma.
Composition Limit
Element
Composition Range (wt%)
Fe
50 ~ 100
Ni
0 ~ 31
Cr
0 ~ 27
Co, Mo
0 ~ 10
V, W
0 ~ 7
B, C, Cu, Mn, Nb, Si, Ti 0 ~ 4
Al, Mg, N
0 ~ 0.5
P, S, Sn 0 ~ 0.05
Application
Solidification, Heat Treatment, Welding, Alloy Design of Multicomponent
Iron and steel Alloys
PanMagnesium
A thermodynamic database for multi-component magnesium-based alloy systems
that includes most of the elements used in commercial magnesium alloy systems
and covers most of the phases present in the commercial magnesium alloys.
Components and Phases
20 Components: Ag, Al, C, Ca, Ce, Cu, Fe,
Gd, Li, Mg, Mn, Nd, Ni, Sc, Si, Sn, Sr, Y, Zn,
and Zr.
412 Phases: Liquid, Hcp (Mg),
Fcc, Bcc, Al2Ca_X, Al2Sc_X, Al3Ca8_X,
Al3Sc_X, AlLi_X, AlMg_Beta,
AlMg_Eps, AlMg_Gamma, AlMgZn_Tau, AlSc_X, C15, CaMgSi, CeMg_X, CeMg12_X,
DHCP, GdMg2_X, GdMg3_X, Laves_c14, Laves_c15, Laves_c36,
Mg24Y5, Mg2Si_X,
Mg2Zn3, MgX, MgZn, etc.
Composition Limit
Element
Composition Range (wt%)
Mg
75 ~ 100
Al, Ca, Li, Mn, Ni, Si, Zn, but not
in 0 ~ 10
Combinations of Ca+Mn, Ca+Zn, Mn+Si or Si+Zn
Ag, C, Ce, Gd, Nd, Sc, Sn, Sr, Y, Zr, Fe, Cu 0 ~ 1
Application
Solidification, Heat Treatment, Welding, Alloy Design of Multicomponent
Cast and Wrought Mg-based Alloys
PanNickel
A thermodynamic database for multi-component nickel-based superalloy systems
that includes most of the elements used in commercial nickel alloy systems
and covers most of the phases present in the commercial nickel alloys.
Components and Phases
20 Components: Al, B, C Co, Cr, Fe, Hf, Ir,
Mo, N, Nb, Ni, Pt, Re, Ru, Si, Ta, Ti, W, and Zr
63 Phases:
Liquid, Fcc_A1(γ), L12_Fcc(γ'), Bcc_a2, Fcc_MC,
Hcp_a3, Hcp_M2C,
Sigma, NiMo, Delta, Mu_phase, Laves_c14,
Laves_c15, M23C6, M7C3,
M3C2, M6C,
R_Phase, Eta_Phase, Chi_A12, P_Phase, etc.
Composition Limit
Element
Composition Range (wt%)
Ni
50 ~ 100
Al, Co, Cr, Fe
0 ~ 22
Mo, Re,
W
0 ~ 12
Hf, Nb, Ta,
Ti
0 ~ 5
B, C, N, Si,
Zr
0 ~ 0.5
Application
Solidification, Heat Treatment, Welding, Alloy Design of Multicomponent
Ni-based Super Alloys
PanTitanium
A thermodynamic database for multi-component titanium-based alloy systems
that includes most of the elements used in commercial titanium alloy systems
and covers most of the phases present in the commercial titanium alloys.
Components and Phases
18 Components: Al, B, C, Cr, Cu, Fe, H, Mo,
N, Nb, Ni, O, Si, Sn, Ta, Ti, V, and Zr
108 Phases:
Liquid, BCC_A2(β),
HCP_A3(α), DO19_TI3AL(α2),
DO22_TIAL3, L10_TIAL,
Fcc_Al, MU_Phase, Laves_c14, Laves_c15,
Laves_c36, Sigama, Cr3Si_A15,
etc.
Composition Limit
Element
Composition Range (wt%)
Ti
75 ~ 100
Al, V
0 ~ 11
Mo, Nb, Ta, Zr 0 ~
8
Cr, Sn
0 ~ 5
Cu, Fe,
Ni
0 ~ 3
B, C, H, N, O, Si
0 ~ 0.5
Application
Solidification, Heat Treatment, Welding, Alloy Design of Multicomponent
Ti-based Super Alloys
PanZirconium
A thermodynamic database for the Zr-based bulk metallic glass systems
that includes the six elements of Al, Cu, Ni, Ti, Si, and Zr, and covers
all the equilibrium phases reported in the Zr-Al-Cu-Ni-Si-Ti alloys. This
database can predict the composition regions with the lowest melting
temeratures.
Components and Phases
6 Components: Al, Cu, Ni, Si, Ti, and Zr
Complete thermodynamic descriptions for all 15 binary systems
Fully assessed thermodynamic descriptions for all 20 ternary systems
Composition Limit
Element
Composition Range (wt%)
Al
0 ~ 100
Cu
0 ~ 100
Ni
0 ~ 100
Ti
0 ~ 100
Zr
0 ~ 100
Si
0 ~ 100
Application
Solidification, Heat Treatment, Welding, Alloy Design of Multicomponent
Zr-based Bulk Metallic Glasses
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