tcs ti/tial-based alloys database (tcti3) · tcti3 phases 12 common phases for titanium alloys 13...

TCS Ti/TiAl-based Alloys Database (TCTI3)Technical InformationAvailable Starting with Thermo-Calc Version 2021a

Document created 12/4/2020

Contents

TCS Ti/TiAl-based Alloys Database (TCTI3) 1

About the TCS Ti/TiAl-based Alloys Database (TCTI) 3

TCS Ti/TiAl-based Alloys Database (TCTI) Resources 5

Database Specific Documentation 5

TCTI3 Elements, Systems, Phases, and Properties 6

TCTI3 Systems 8

TCTI3 Assessed Binary Systems 9

TCTI3 Assessed Ternary Systems 10

TCTI3 Phases 12

Common Phases for Titanium Alloys 13

TCTI3 Models for the Included Phases 14

TCTI3 Properties Data 47

TCTI: TCS Ti/TiAl-based Alloys Database Revision History 48

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About the TCS Ti/TiAl-based Alloys Database (TCTI)TCTI: TCS Ti/TiAl-based Alloys Database Revision History

TCS Ti/TiAl-based Alloys Database (TCTI) is a thermodynamic database developed for conventional Ti-based and newly emerging γ-TiAl based alloys.

The current version of the database is TCTI3 and it can be used to calculate various phase diagrams and thermodynamic properties in assessed systems, but also to predict stable and metastable phase equilibria (β-transus temperature, evolution of phase fractions vs. temperature, martensitic temperature, and so on) for a wide range of multicomponent alloys of industrial relevance, with light impurities (O, N, H, etc.) taken into account. Ti- and γ-TiAl-based alloys of relevance that can be studied include, but are not limited to:

l Alpha and near-alpha alloys, such as Ti-6242Si

l Alpha-beta alloys, such as Ti64

l Beta or near-beta alloys, such as Ti 10-2-3

l γ-TiAl based alloys, such as TNM alloys

In addition to thermodynamic data, it has properties data available for:

l Molar volume with thermal expansion coefficients

l Viscosity of the metallic liquids

l Surface tension of liquid metallic alloys

The CALPHAD Method

The Thermo-Calc databases are developed with the CALPHAD approach based on various types of experimental data and theoretical values (e.g. those from first-principles calculations). It is based on the critical evaluation of binary, ternary, and for some databases, important higher order systems. This enables predictions to be made for multicomponent systems and alloys of industrial importance. Among these, the thermodynamic database is of fundamental importance.

Learn more on our website about the CALPHAD Method and how it is applied to the Thermo-Calc databases.

Use Case Examples

There are examples available to both demonstrate the validation of the database and to showcase the types of calculations that can be used for different materials or application areas depending on the database.

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Some use case examples of how the TCTI3 database can be used include:

l Calculate various phase diagrams and property diagrams in the assessed systems as well as extrapolated higher-order systems.

l Predict phase formation, phase fractions and phase compositions in multicomponent titanium alloys.

l Predict solidification behavior of Ti- and TiAl-based alloys with Scheil calculations in Thermo-Calc.

l Couple with a compatible atomic mobility database to study diffusion-controlled phase transformations with the add-on Diffusion Module (DICTRA) or multi-particle precipitation kinetics with the Precipitation Module (TC-PRISMA).

Calculations and simulations for higher-order systems might not be valid beyond the Ti-rich region and the Ti-Al vicinity.

Combining Databases

It is possible to combine several databases to make calculations using Thermo-Calc. For more information related to a specific type of problem, contact one of our support specialists at [email protected]. The experts are available to make recommendations on the most suitable database to use for your needs.

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TCS Ti/TiAl-based Alloys Database (TCTI) ResourcesInformation about the database is available on our website and in the Thermo-Calc software online Help.

l Website: On our website the information is both searchable and the database specific PDFs are available to download.

l Online Help: Technical database information is included with the Thermo-Calc software online Help. When in Thermo-Calc, press F1 to search for the same information as is contained in the PDF documents described. Depending on the database, there are additional examples available on the website.

Database Specific Documentation

l The TCS Ti/TiAl-based Alloys Database Technical Information PDF document contains version specific information such as the binary, ternary assessed systems, phases and models. It also includes a list of the included elements and summaries of the database revision history by version.

l The TCS Ti/TiAl-based Alloys Database Examples Collection PDF document contains a series of validation examples using experimental data, and a set of calculation examples showing some of the ways the database can be used.

Go to the Titanium and TiAl-based Alloys Databases page on our website where you can access the technical information and learn more about the compatible kinetic database. Also explore further applications of Thermo-Calc to titanium and TiAl including links to resources such as examples, publications, and more.

Learn more on our website about the CALPHAD Method and how it is applied to the Thermo-Calc databases.

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TCTI3 Elements, Systems, Phases, and Properties

Included Elements

There are 28 elements included in the most recent version of the database.

Ag Al B C Co Cr Cu Fe H Hf Mn

Mo N Nb Ni O Pd Pt Re Ru Si Sn

Ta Ti V W Y Zr

Assessed Systems and Phases

The most recent version of the database contains:

l 278 binary systems

l 108 ternary systems

l 495 solution and intermetallic phases. This includes nearly all stable phases in the assessed systemsand most important metastable phases that may form in Ti- and TiAl-based alloys. The GAS phase isrejected by default when retrieving the data from the database; it needs to be manually restoredwhen it is required for a calculation.

In Console Mode, you can list phases and constituents in the Database (TDB) module and the Gibbs (GES) module. For some phases, supplementary information is included in the definitions. To show the information, it is recommended in the Database (TDB) module to use the command LIST_SYSTEM with the option Constituents.

The ordered B2 phase with Bcc_A2 is modeled with the so-called partition model, which describes an ordered phase and its disordered counterpart using a single Gibbs energy function. This type of description is of importance to predict second order transformations between a disordered phase and its ordered structures.

Note about the Ternary Systems

Although the assessed ternary systems in TCTI have been modeled by considering experimental data over quite wide (if not entire) compositions, this database most prominently targets light elements, like O, C, N, H, as impurities in alloys. Therefore, appending another appropriate database, for example the TCS Metal Oxide Solutions Database (TCOX) may be essential for calculations in pseudo-binary systems, as well as systems with a certain large amount of such elements.

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Properties Data

You can find information on our website about the thermophysical properties that can be calculated with Thermo-Calc and the Add-on Modules. Additional resources will also be made available on our website in the near future so keep checking back or subscribe to our newsletter.

Molar Volume

Molar volume data is critically assessed for most phases of importance to titanium alloys. All necessary volume data (including molar volume and thermal expansion) for various phases have been incorporated, which enables one to calculate volume fraction of phases, density and thermal expansivity, as well as lattice parameters for cubic structures using Thermo-Calc. However, it should be noted that the molar volume data only provides rough estimations and has no pressure dependence.

Surface Tension and Viscosity

Surface tension is modeled for the liquid phase in all pure elements and binary systems.

The viscosity of the liquid is described for all pure elements and 141 binary systems.

Available Properties Data Parameters and Variables

Below is a summary of the available parameters and variables for this database when working in Thermo-Calc. There are differences when you are working in Console Mode versus Graphical Mode as well as if you use the TC-Python SDK. More details are described in the online help.

Property Model Parameters in TDB File Variables to show or plot in Console Mode and TC-Python

Surface tension SIGM, XI SURF(LIQUID)

Dynamic viscosity VISC DVIS(LIQUID)

Kinematic viscosity KVIS(LIQUID)

Molar volume V0, VAVM for a system VM(PHI) for phase PHI

VP(PHI) volume fraction of phase PHI

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TCTI3 SystemsIn this section:

TCTI3 Assessed Binary Systems 9

TCTI3 Assessed Ternary Systems 10

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TCTI3 Assessed Binary SystemsThese are the assessed binary systems in the full range of composition and temperature.


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TCTI3 Assessed Ternary SystemsNote about the Ternary Systems

Assessed Ternary Systems

B-C-Si Ti-Ag-Pd Ti-Al-B Ti-Al-C

Ti-Al-Co Ti-Al-Cr Ti-Al-Cu Ti-Al-Fe

Ti-Al-H Ti-Al-Mn Ti-Al-Mo Ti-Al-N

Ti-Al-Nb Ti-Al-O Ti-Al-Pd Ti-Al-Si

Ti-Al-Sn Ti-Al-Ta Ti-Al-V Ti-Al-W

Ti-Al-Y Ti-Al-Zr Ti-B-Co Ti-B-Cr

Ti-B-Hf Ti-B-Mo Ti-B-Nb Ti-B-Ni

Ti-B-Si Ti-B-Sn Ti-B-Ta Ti-B-V

Ti-B-W Ti-B-Zr Ti-C-Cr Ti-C-Cu

Ti-C-Mo Ti-C-Nb Ti-C-Si Ti-C-Ta

Ti-C-V Ti-C-W Ti-C-Zr Ti-Co-Mo

Ti-Co-Sn Ti-Co-Ta Ti-Cr-Fe Ti-Cr-H

Ti-Cr-Mn Ti-Cr-Mo Ti-Cr-N Ti-Cr-Nb

Ti-Cr-O Ti-Cr-Si Ti-Cr-Sn Ti-Cr-Ta

Ti-Cr-V Ti-Cr-W Ti-Cr-Zr Ti-Cu-Fe

Ti-Cu-H Ti-Cu-N Ti-Cu-Nb Ti-Cu-O

Ti-Cu-Si Ti-Cu-Sn Ti-Fe-Mo Ti-Fe-V

Ti-H-Ni Ti-H-O Ti-H-Zr Ti-Hf-Ta

Ti-Hf-Zr Ti-Mo-N Ti-Mo-Nb Ti-Mo-O

Ti-Mo-Si Ti-Mo-Sn Ti-Mo-Ta Ti-Mo-V

Ti-Mo-W Ti-Mo-Zr Ti-N-Nb Ti-N-Ta


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Assessed Ternary Systems

Ti-Nb-O Ti-Nb-Si Ti-Nb-Sn Ti-Nb-Ta

Ti-Nb-V Ti-Nb-W Ti-Nb-Zr Ti-Ni-Pd

Ti-Ni-Sn Ti-O-Si Ti-O-Ta Ti-O-V

Ti-O-W Ti-O-Zr Ti-Pd-V Ti-Si-W

Ti-Sn-V Ti-Sn-Zr Ti-Ta-V Ti-Ta-W

Ti-Ta-Zr Ti-V-W Ti-V-Zr Ti-W-Zr


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TCTI3 PhasesIn this section:

Common Phases for Titanium Alloys 13

TCTI3 Models for the Included Phases 14

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Common Phases for Titanium AlloysTCTI3 Models for the Included Phases

The following lists common phase names and the corresponding Thermo-Calc database phase names for some key titanium alloys.

Name in the Database Common Name and Description

ALTI_L10 This is the γ phase in TiAl-based alloys.

ALTI3_D019 This is the α2 phase.

BCC_B2This is the β phase. The ordered B2 phase with the disordered BCC_A2 has been modeled with the so-called partition model. It is always labeled as BCC_B2 in calculations with TCTI. It is necessary to check the constitution of the phase to find out whether it is ordered or not.

B82_omega This is the ωo phase in TiAl-based alloys.

FCC_B1 Titanium carbide, nitride, oxide with NaCl as prototype

HCP_A3 This is the α phase. The descriptions of α' (Hcp martensite) and α" (orthorhombic martensite) are unified into HCP_A3 phase in the database by now.

O1_DIS The disordered orthorhombic phase originating from the Ti- Al-Nb ternary system.

O_PHASE The ordered orthorhombic phase originating from the Ti-Al-Nb ternary system, which has different site occupancies compared with O1_DIS phase.


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TCTI3 Models for the Included Phases

Name Sublattice Notes

AF (Al2O3)1(Fe2O3)1

AG1TI2 (Ag)1(Ti)2

AGTI (Ag,Ti)1(Ti,Ag)1

AL10FEMN2 (Fe,Mn)3(Al)10

AL11CR2 (Al)10(Ti,Cr,Al)2

AL11CR4 (Al)11(Cr,Ti,Al)4

AL11MN4_HT (Al,Mn)29(Mn)10

AL11MN4_LT (Al)11(Fe,Mn)4

AL11RE4 (Al)11(Re)4

AL12MN (Al)12(Mn)1

AL12W (Al)12(Mo,W,Re)1 > also AL12RE and AL12MO

AL13CO4 (Al)13(Co)4

AL13FE2MN2 (Fe,Mn)4(Al)13

AL13FE4 (Al)0.6275(Ru,Mn,Fe)0.235(Va,Si,Al)0.1375

AL15SI2M4 (Al)14(Fe,Mn)4(Si,Al)5 > Solution of Al-Mn-Si ternary phase, tao 9, Al15(Mn,Fe)3Si2


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AL16FEMN3 (Al)4(Mn,Fe)1

AL17MO4 (Al)17(Mo)4

AL1CR2B2 (Al)1(Cr)2(B)2

AL1CR3B4 (Al)1(Cr)3(B)4

AL1MN1SI1 (Al)1(Mn)1(Si)1 > the Al-Mn-Si ternary phase, tao3

AL1RE2 (Al)1(Re)2

AL1ZR2 (Al)1(Y,Zr,Ti)2 > also AlY2

AL21PT8 (Al)21(Pd,Pt)8

AL21V2 (Al)21(V)2

AL22MO5 (Al)22(Mo)5

AL23V4 (Al)23(V)4

AL2CU_C16 (Al)2(Cu,Al)1

AL2FE (Al)2(Mn,Fe)1

AL2MN2SI3 (Al)2(Mn)2(Si)3

AL2MNSI3 (Al)2(Mn)1(Si)3 > the Al-Mn-Si ternary phase, tao10

AL2N2TI3 (Al)2(N)2(Ti)3


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AL2PD5 (Al)2(Pd,Al)5

AL2TI (Nb,Al,Ta,Ti)2(Zr,Nb,Co,Ti,Cr,Ta,V,Al)1

AL2W (Al)2(W)1

AL2ZR3 (Al)2(Y,Ti,Zr,Hf)3 > also Al2Hf3, Al2Y3

AL31MN6NI2 (Al)31(Mn)6(Ni)2

AL3CO (Al)3(Co)1

AL3MN4SI2 (Al)3(Mn)4(Si)2 > the Al-Mn-Si ternary phase, tao5

AL3MNSI2 (Al)3(Mn)1(Si)2 > the Al-Mn-Si ternary phase, tao4

AL3MO (Al)3(Mo)1

AL3NI1 (Al)0.75(Ni)0.25

AL3NI2 (Si,Al,Pd)3(Pd,Ni,Al,Ru)2(Va,Ni,Ru)1

AL3NI5 (Al)0.375(Ni)0.625

AL3PD1 (Al)3(Pd)1

AL3PD5 (Al)3(Pt,Pd)5

AL3TI_D022 (Mn,Si,V,Al,Nb,Pd,Ti,Mo)3(Mn,Ti,Ni,Al,Ta,Nb,Si,Cr,Zr,Mo,V,Co,Pd)1 > Al3Ti, Al3V

AL3TI_LT (Ti,Al,Nb,Cr)3(Cr,Zr,Al,V,Ti,Nb)1


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AL3Y_HT (Al)0.75(Y)0.25

AL3Y_LT (Al)0.75(Y)0.25

AL3ZR2 (Al)3(Zr,Hf)2 > also Al3Hf2

AL3ZR4 (Al)3(Hf,Zr,Ti)4 > also Al3Hf4

AL3ZR5 (Al)3(Zr,Ti)5

AL3ZR_D023 (Al)3(Hf,Zr,Ti)1 > also Al3Hf

AL45V7 (Al)45(V)7

AL4C3 (Si,Al)4(C)3

AL4CR (Al)4(Cr,Al,Ti)1

AL4FE (Al)4.2(Fe)1

AL4MN_R (Al)461(Fe,Mn)107

AL4MN_U (Al)4(Mn)1

AL4PD (Al)4(Pd)1

AL4RE (Al)4(Re)1

AL4SIC4 (Al)4(Si)1(C)4

AL4W (Al)4(W,Mo)1 > also Al4Mo


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AL4ZR5 (Al)4(Zr)5

AL5CO2_D811 (Al)5(Co)2

AL5FE2 (Al)5(Mn,Fe)2

AL5FE4 (Fe,Al)1

AL5MN6SI7 (Al)5(Mn)6(Si)7

AL5TI2 (Al,Ta,Ti,Nb,Cr)5(Al,Ta,Cr,Ti,V,Zr,Nb)2

AL5TI3 (Al)5(Cr,Ti,Nb,Ta)3

AL5W (Al)5(W,Mo)1 > also AL5MO

AL63MO37 (Al)63(Mo)37

AL6MN (Al)6(Re,Mn,Fe,Ru)1

AL77W23 (Al)77(W)23

AL7CR (Al)13(Cr,Ti,Al)2

AL7W3 (Al)7(W)3

AL8CR5_HT (Cr,Al)2(Al,Cr,Ti)3(Cr)2(Al)6

AL8CR5_LT (Al)12(Cr)5(Ti,Al,Cr)9

AL8CR5_MT (Ti,Al,Cr)2(Cr,Ti,Al)3(Cr)2(Al)6


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AL8MO3 (Al)8(Mo)3

AL8SIC7 (Al)8(Si)1(C)7

AL8V5 (Mn,Al,V)8(Ti,Mn,V,Al)5

AL9CO2 (Al)9(Co)2

ALB12 (Ti,Al)1(B)12

ALBMO (Al)1(B)1(Mo)1

ALCCR2 (Al)1(C)1(Cr)2

ALCR2 (Pd,Cr,Al,Ni)1(Ti,Al,Cr)2

ALCR3 (Al,Ti,Cr)1(Cr)3

ALCU_DEL (Al)2(Cu)3

ALCU_EPS (Al,Cu)1(Cu)1

ALCU_ETA (Al,Cu)1(Cu)1

ALCU_ZETA (Al)9(Cu)11

ALFESI_ALPHA (Al)0.6612(Fe)0.19(Si)0.0496(Al,Si)0.0992

ALFESI_BETA (Al)14(Fe)3(Si)3

ALFESI_DELTA (Al)0.55(Fe)0.15(Si)0.3


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ALFESI_GAMMA (Al)3(Fe)1(Si)1

ALFESI_TAU1 (Al)2(Fe)2(Si)1

ALFESI_TAU3 (Al)2(Fe)1(Si)1

ALH3 (Al)1(H)3

ALM3C_E21 (Al)1(Fe,Co)3(C)1 > AlCo3C, AlFe3C, Perovskite

ALMNSI_T6 (Mn,Al)4(Si)1 > the Al-Mn-Si ternary phase, tao6

ALMNSI_T8 (Va,Mn)6(Va,Mn)2(Al)12(Al,Si)6(Si,Al)2 > the Al-Mn-Si ternary phase, tao8

ALNTI2 (Al)1(N)1(Ti)2

ALNTI3 (Al)1(N)1(Ti)3

ALN_B4 (Al)1(N)1

ALPHA_B19 (Ti,Mo,V,Nb,Pt,Zr)1(Zr,Mo,Ti,Pt,Nb,V)1

ALPHA_SPINEL (Co+2,Mn+3,Ni+2,Mn+2)1(Mn+2,Cr+3,Al+3,Va,Mn+3,Fe+3)2(Va,Mn+2)2(O-2)4

ALRE (Al)1(Re)1

ALSI3TI2 (Al)0.166667(Si)0.5(Ti)0.333333

ALTI3_D019 (V,Ta,Mn,Ni,Co,Mo,Al,Ti,Nb,Cu,W,Cr,Zr)3(Ti,C,Al,Si,Cr,Mo,V,W,Ni,Sn,Nb,Ta)1(Va,H,O)2


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ALTI_L10 (Sn,Co,V,Ti,Cr,Mo,W,Cu,Pd,Al,Zr,Mn,Nb,Ta)1(Mn,Ti,Cu,Sn,Nb,Co,Al,V,W,Cr,Pd,Ta,Mo,Zr)1(C,Va,O,H)2

ALZR (Al)1(Zr,Y,Hf)1 >also AlHf, AlY

ANDALUSITE (Al+3)1(Al+3)1(Si+4)1(O-2)5

B12ZR (B)12(Y,Zr)1 > YB12, ZrB12

B2O3 (B2O3)1

B3SI (B)6(Si)2(B,Si)6

B4C (B11C,B12)1(B2,C2B,Si2,Cb2)1

B5W2_X (B,C,Va)5(W)2

B6SI (B)210(Si)23(Si,B)48

B82_OMEGA (Al,Sn)1(Mo,Cr,Co,Zr,Nb,Ta,Ti)1(Ti)1

B9W2 (B)9(W)2

BCC_A2 (Ag,Al,Co,Cr,Cu,Fe,Hf,Mn,Mo,Nb,Ni,Pd,Pt,Re,Ru,Si,Sn,Ta,Ti,Va,V,W,Y,Zr)1(B,C,H,N,O,Va)3 > If BCC_B2 is defined, this phase will be combined to it.!

BCC_B2 (V,Cu,Ti,Ag,Pd,Si,Ni,Nb,Fe,Mo,Mn,Al,Pt,Zr,Re,Ta,Ru,Y,Hf,W,Sn,Co,Va,Cr)0.5(Mo,Fe,Ru,V,W,Hf,Zr,Re,Ta,Al,Cu,Si,Pt,Pd,Co,Ni,Y,Mn,Va,Ti,Nb,Cr,Sn,Ag)0.5(N,O,C,Va,B,H)3> This phase has some contribution from BCC_A2.

BCT_A5 (Al,Ti,Cu,Sn)1


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BETAR_BORON (B)93(B,Si,Nb,Ti,C)12

DIS_BETA (H,Va)0.5 (V)0.5

BETA_PHASE (Va,H)0.25(H,Va)0.25(V)0.5

BETA_V3O (V)1(Va,O)1

BNSI (B)61(Si)1(Si,B)8

BN_B4 (B)1(N)1

BW_ALPHA (Va,C,B)1(W)1

BW_BETA (B,C,Va)1(W)1 > prototype BCr

C14_LAVES (V,Nb,Al,Hf,Si,Pd,Ru,Ni,Zr,Y,Fe,W,Ti,Re,Mn,Ta,Co,Mo,Cr)2(Hf,Ti,V,Mo,Ru,Re,Pd,Nb,Ni,Y,Al,Co,Si,Cr,Zr,Fe,W,Ta,Mn)1 > prototype MgZn2

C15_LAVES (Hf,Ru,Nb,Co,W,Ti,Zr,Ta,V,Y,Re,Mo,Mn,Fe,Al,Cr,Ni,Si)2(Al,Y,Fe,Hf,Cr,V,Ni,Ti,Si,Ru,Nb,W,Zr,Ta,Re,Mo,Co)1

C16_THETA (Nb,Zr,W,Al,Hf,Mo,Ti,Ta)2(Si,Cr,Al,Fe,Co,Ni)1 > Hf2Al, Hf2Si, Zr2Si Zr2Co, Ta2Co, Hf2Ni, Ta2Ni, Zr2Ni

C36_LAVES (Zr,Co,Ni,Mo,Ta,Nb,Cr,V,W,Al,Ti,Hf,Fe)2(Hf,Nb,Zr,W,Ta,Cr,Co,Al,Ti,V,Mo,Fe,Ni)1

CBCC_A12 (Mo,Ru,Nb,Y,Fe,Al,Zr,Sn,V,Ti,W,Si,Ta,Mn,Ni,Co,Re,Cr)1(B,C,Va,H)1

CEMENTITE (Ni,Co,Cr,W,Fe,Mo,V,Mn)3(C,N)1 > D011


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CFC2_FENBZR (Zr,Nb,Fe)2(Nb,Zr)1(Nb,Zr)3

CHI_A12 (Re,Fe,Ni,Cr)24(Cr,Hf,Mo,Al,Ta,Zr,W,Ti,Nb)10(W,Re,Fe,Ta,Ni,Cr,Nb,Mo)24

CO11ZR2 (Co)11(Zr)2

CO17Y2 (Y,Co2)1(Co2,Y)2(Co)15

CO1SN1TI1 (Ni,Co)1(Sn)1(Ti)1

CO1SN2 (Co)0.333(Sn)0.667

CO1SN3 (Co)0.25(Sn)0.75

CO2SI_C23 (Fe,Co,Cr,Pd,Al,Ni,Ti)2(Al,Si,Pd)1

CO3AL2B5 (Co)3(Al)2(B)5

CO3SI (Co)3(Si)1

CO3SN2 (Co)1(Sn)1(Va,Co)0.5(Va,Co)0.5

CO3VV (Co,V)3(V,Co)1

CO3Y1 (Co)3(Y)1

CO3Y2 (Co)3(Y)2

CO3Y4 (Co)3(Y)4

CO5Y8 (Co)5(Y)8


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CO5Y_D2D (Y,Co2)1(Co)4(Co,Va)1

CO7HF (Co)7(Hf)1

CO7M2 (Co)7(Ti,Nb,Ta)2

CO7MO6 (Co,Mo)7(Ti,Mo,Co)6

CO7Y6 (Co)7(Y)6

COB (Co,Re)1(B)1

CORUNDUM (Al+3,Mn+3,Va,Cr+3,Ti+3,Fe+3,V+3,Cr+2,Fe+2,V+4)2(Va,Cr+3,Ni+2,Fe+3)1(O-2)3

COSN (Co)0.5(Sn)0.5

COY_BF (Co)1(Y)1

CR2B_ORTH (Mo,Fe,Cr,Re)2(B)1 > Cr2B

CR2NI2SI (Cr)5(Ni)5(Si)3

CR2PD3_L12 (Cr)0.4(Pd)0.6

CR3MN5 (Cr)3(Mn)5

CR3NI5SI2 (Cr)3(Ni)5(Si)2(C,Va)1

CR3SI_A15 (Ni,Pt,Nb,Ti,Cr,Sn,Ta,V,Fe,Zr,Si,Re,Pd,Mo,Al)3(Ta,Si,Nb,V,Pd,Cr,Co,Mo,Zr,Ti,Pt,Al,Ni,Sn,Ru)1(C,Va)3

CR5B3 (Mo,Cr)0.625(B)0.375


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CR8FE16TI5 (Fe,Cr)24(Ti)5

CRB4 (Cr)0.2(B)0.8

CRISTOBALITE (Sio2)1

CRNBSI (Cr)1(Nb)1(Si)1

CRNI2_OP6 (Cr,Mo,W)1(Ni,W,Mo)2

CRPD_L10 (Cr)0.5(Pd)0.5

CRSI2_C40 (Hf,Mo,V,Cr,Ta,Si,Ti,W,Nb)1(Si,Cr,Al)2

CU10SN3 (Sn,Cu)1

CU15SI4_EPSILON (Cu)0.789474(Si)0.210526

CU2TI (Cu)2(Ti)1

CU33SI7_DELTA (Cu)0.825(Si)0.175

CU3SN (Cu,Sn)3(Sn,Cu)1

CU3TI2 (Fe,Cu)3(Ti)2

CU41SN11 (Sn,Cu)41(Cu,Sn)11

CU4TI1 (Cu,Ti)4(Ti,Cu)1

CU4TI3 (Cu)4(Ti)3


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CU56SI11_GAMMA (Cu)0.835821(Si)0.164179

CU6SN5_HT (Cu)1(Cu,Sn)1(Sn)1

CU6SN5_LT (Cu)1(Sn,Cu)1(Sn)1

CUB_A13 (Mn,Y,Nb,Re,W,Co,Hf,Cr,Ru,Sn,Zr,Ta,Si,Ti,V,Ag,Al,Mo,Ni,Fe)1(C,Va,H,B)1

CUO (Cu+2)1(O-2)1

CUPRITE_C3 (Cu+1)2(O-2)1

CUSI_ETA (Cu)0.76(Si)0.24

CUSN_GAMMA (Cu,Sn)1

CUTI3 (Cu,Ti)1(Ti)3

CUTI_B11 (Ti,Cu)1(Cu,Ti)1

CUZR2_C11B (Fe,Si,Cu)1(Ti,Nb)2(O,Va)0.5

D0I_MO2B5 (Mo,Ti)0.32(B)0.68

D5A_M3B2 (Hf,Ti,Fe,Ta,Nb,Mo,V)3(B)2 > TA3B2, NB3B2, V3B2, prototype U3SI2

DELTA_TIH2 (Ti,V,Hf,Y,Zr,Nb)1(Va,H)2

DIAMOND_A4 (Al,H,B,Sn,C,Si,O)1

FCC_A1 (Fe,Cu,Zr,V,Ti,Ru,Ni,Y,Cr,Ta,Hf,Re,Co,W,Al,Nb,Sn,Pt,Mo,Ag,Pd,Si,Mn)1(C,N,B,Va,O,H)1


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FCC_B1 (Mo,Va,Al,Cr,Zr,Ta,Nb,V,Hf,Ti,W)1(O,N,C,Va)1

FE1SN2 (Fe)1(Sn)2

FE2SI (Fe)0.666667(Si)0.333333

FE3SN2 (Fe)3(Sn)2

FE4N_LP1 (Fe,Cr,Ni,Co,Mn)4(C,N)1

FE5SN3 (Fe)5(Sn)3

FE7MO6 (Fe)7(Mo,Ti)2(Ti,Fe,Mo)4

FE8SI2C (Fe)8(Si)2(C)1

FECN_CHI (Fe)2.2(C,N)1

FESI2_H (Fe)0.3(Si)0.7

FESI2_L (Fe)0.333333(Si)0.666667

FESI_B20 (Mn,Fe,Re,Co,Cr,Ni)1(Al,Si)1

FESN (Fe)1(Sn)1

FEWB (Fe)1(W)1(B)1

FLUORITE_C1 (Mn+3,Ti+4,Zr+4,Fe+2,Ni+2,Cr+3,Si+4,Zr,Mn+2,Hf+4,Y+3,Al+3)2(Va,O-2)4

GAMMA_D83 (Al)4(Cu,Al)1(Cu)8


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GAMMA_H (Al)4(Cu,Al)1(Cu)8

GAS

(Fe1O1, Al1C1, O1Re1, Fe, Al1B1O2, Mo, Cr2O3, Al, Cr2O2, Al1C2, Cr2O1, O15W5, Cr2, N2O5, Cr1O3, O, Mn1O1, Ni2, Mo1N1, Cr1O2, O4Sn4, Cr1O1, Cr1N1, Cr, O6W2, Mo1O3, O1Si1, Mn1O2, Co2, O4Ru1, Co1O1, O6Sn6, O3W1, Co, C1N1, N2O1, O3Ru1, C9N1, Mo1O2, O3Re1, C6N2, O3, C6N1, O1Ru1, O2Zr1, C6Mo1O6, O6Re2, O2Y2, C60, Mo1O1, O2Y1, C5N1, O12W4, O2W1, C5Fe1O5, O2V1, C5, O2Ti1, O10V4, C4Ni1O4, N3, O2Ta1, C4N2, O7Re2, Y, O2Sn2, C4N1, C, O2Sn1, C4, B2O3, N1Ti1, Si3, O2Si2, C3O2, B2O2, O2Si1, Ni, C3N1, B2O1, W, Si, O2Ru1, C3, B2C1, O2Re1, C2Si3, B2, N1Si2, O2, C2Si2, B1O2, N1V1, Ti, Ni1O1, O1Zr1, C2Si1, B1O1, N1O1, N1Nb1, O1Y2, C2O1, B1N1, O1Y1, C2N2, B1C2, O9W3, O1W1, C2N1_Cnc, B1C1, Zr2, O1V1, Ru, C2N1_Ccn, B, N1O2, O1Ti1, N1Zr1, C2, Mo2, Al2O3, Fe1O2, O1Ta1, C1Si4, Al2O2, Mo3O9, Mn, C1Si3, Al2O1, N2O4, N2, N, Hf1O2, C1Si2, Al2C2, Mo2O6, Zr, N1O3, Hf1O1, C1Si1, N1Si1, Al2, Hf, C1O2, Al1O2, Nb, H2O2, C1O1, Al1O1, N2O2, Ti2, Mo4O12, H2O1, C1N2_Ncn, Al1N1, O8W3, Mo5O15, H2, C1N2_Cnn, Al1H3, Ta, N2O3, H, C1N1O1_Nco, Al1H2, V, Re, Fe2, C1N1O1, Al1H1, Si2, O1Sn1, Nb1O2, Sn, Nb1O1)1

GPHASE (Co,Al)1(Ti,Al)16(Co)7(Ti)6

GRAPHITE (B,C)1

G_PHASE (Fe,Pd,Ti,Ni,Mn,Cu,Al,Co)16(Zr,Y,Hf,Ti,Nb)6(Mn,Si,Co,Fe,Pd,Cu,Ni)7 > Th6Mn23 prototype


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HALITE (Cr+3,Zr+4,Ni+3,V+3,Mn+2,Co+2,Al+3,Fe+3,V+2,Y+3,Ni+2,V,Fe+2,Co+3,Mn+3,Va)1(O-2,Va)1

HCP_A3 (Re,Ag,V,Ti,Ru,Zr,Sn,Fe,Y,Mn,Co,Al,Mo,Nb,Ni,Pt,W,Si,Hf,Cu,Ta,Pd,Cr)1(N,Va,O,B,C,H)0.5

HF3NI7 (Hf)0.3(Ni)0.7

HF8NI21 (Hf,Zr)8(Ni)21 > also ZR8NI21

HFMN (Hf)0.5(Mn)0.5

HFNI3_ALPHA (Hf)0.25(Ni)0.75

HFNI3_BETA (Hf)0.25(Ni)0.75

HFNI_ALPHA (Hf)0.5(Ni)0.5

HFRE (Hf)1(Re)1

HFSIO4 (Hf+4)1(Si+4)1(O-2)4

HIGH_SIGMA (Mn)8(Cr)4(Mn,Cr)18

ION_LIQ(AL+3, CO+2, CR+2, FE+2, HF+4, MN+2, MO+4, NB+2, NI+2, RE+4, RU+4, SI+4, TA+5, TI+2, V+2, W+6, Y+3, ZR+4)1(ALO2-1, O-2, SIO4-4, VA, ALN, B, BO3/2, C, N, COO3/2, CRO3/2, FEO3/2, MNO3/2, MOO3, NBO2, NBO5/2, REO7/2, SIO2, TIO2, VO2, VO5/2)1

H_L21 (Al,Sn,Ti)0.5(Al,Ni,Hf,Ti,Ta,Nb,Zr)0.5(Cu,Co,Ru,Va,Ni)1


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KYANITE (Al+3)1(Al+3)1(Si+4)1(O-2)5

L10_FCC (Mn,Ni)0.5(Mn,Ni)0.5

L12_FCC (Pd,Co,Fe,Pt,Ti,Mn,Ni,Ag,Cu,Cr,Zr,Al)0.75(Ta,Ag,Ni,Cr,Pd,Fe,Pt,Ti,Si,Co,Mn,Al,Cu,Zr)0.25

LIQUID

(VO3/2, Si, Re, Mo1/2O1, H2O1, Y2/3O1, ReO7/2, VO5/2, Al2O4Ti, NiO, C, O1Ti1, Si1/2O1, MoO3, H2O2, FeO3/2, FeO, N, V1O1, Hf, Al1N1, O, BO3/2, Y, B, Zr, Co, Al4/3O2, Si2O4, Pd, Nb, Hf1/2O1, CrO, Ag, Ti, CrO3/2, Cu2O, Cr, Nb1O1, Mn, O2Ti1, V, Ni, VO2, Ta2/5O1, Ta, Fe, Cu, MnO, Ru, H, TiO3/2, Al, Pt, Zr1/2O1, MnO3/2, CoO, Sn1/2O1, NbO2, SiO2, W, Ru1/2O1, Re1/2O1, Mo, Sn, NbO5/2, CoO3/2, CuO, Al2/3O1)1

M11SI8 (Cr,Nb)11(Si)8

M12C (Ni,Co)6(Mo,W)6(C)1 > Prototype Mo6Ni6C

M23C6 (Ni,Mn,Re,V,Co,Fe,Cr)20(V,Ni,Fe,Co,W,Re,Mo,Cr,Mn)3(C)6 > Cr23C6

M2B_TETR (Mo,Ni,Fe,Ta,Re,Mn,Nb,Co,Al,W,Ti,Cr)2(B)1 > Co2B, Fe2B, Mn2B, Mo2B, Ni2B

M2O3C (Y+3,Zr+4,Y,Mn+3,Ni+2,Al+3,Fe+3,Cr+3)2(Va,O-2)3(Va,O-2)1

M2O3H (Mn+3,Zr+4,Y+3,Y)2(Va,O-2)3(O-2,Va)1

M3B2 (W,Ni,Fe,Mo,Cr)0.4(Ni,Cr,Fe)0.2(B)0.4 > Mo2FeB2, Mo2CrB2

M3C2 (Mo,V,W,Cr)3(C)2 > Cr3C2


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M3SI1 (Ti,Ta,Hf,Zr,Nb)3(Si)1

M3SI2_D5A (Nb,Hf,Zr)3(Si)2

M4SI3 (Cr,Ni)4(Si)3

M5C2 (Fe,Mn)5(C)2 > Mn5C2

M5SI3_D88 (Mo,Cr,Y,W,Nb,Fe,Si,Ni,Ti,Mn,Hf,Zr)2(Si,Sn,Al)3(Mn,Nb,Zr,Ni,Ti,Fe,Cr,Mo,Hf,Y)3(Sn,Co,C,Va)1

M6C (Fe,Ni,Co)2(Nb,Mo,W,Ta)2(Co,Ta,Ni,Cr,W,Fe,Mo,Nb,V)2(C)1 > Prototype W3Fe3C

M6SI5 (Cr,Nb)6(Si)5

M7C3 (Re,Mo,Cr,Ni,Mn,V,Fe,Co,W)7(C)3 > Cr7C3

MB_B33 (Ta,Mo,W,Ni,Nb,Fe,Ti,V,Hf,Cr)1(B)1 > CrB, NbB, NiB, TaB, VB

MC_ETA (W,Mo,V)1(Va,C)1 > MoC, prototype TiAs

MC_SHP (Mo,W)1(N,C)1 > Prototype WC, also MoC low temperature

MN11SI19 (Mn)11(Si,Al)19

MN12Y (Mn)12(Y)1

MN1O2 (Mn)1(O)2

MN2B_D1F (Mn)0.6707(B)0.3293

MN2SN (Mn)0.643(Sn)0.357


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MN2YO5 (Y+3)1(Mn+3)1(Mn+4)1(O-2)5

MN3SI (Fe,Mn)3(Al,Si)1

MN3SN2 (Mn)3(Sn)2

MN3TI (Mn)3(Ti)1

MN4TI (Mn)0.815(Ti)0.185

MN6N4 (Mn)6(N)4

MN6N5 (Mn)6(N)5

MN6SI (Mn,Al)17(Si)3

MN9SI2 (Mn)33(Si)7

MNB4 (Mn)0.2(B)0.8

MNNI2 (Mn,Ni)1(Ni)2

MNSN2 (Sn)2(Mn)1

MNTA (Mn)1(Ta)1

MNTI_HT (Mn)0.515(Ti)0.485

MNTI_LT (Mn)1(Ti)1

MNYO3_HEX (Y+3)1(Mn+3)1(O-2)3


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MO3NI10B11 (Mo)3(Ni)10(B)11

MO4O11 (Mo)4(O)11

MO8O23 (Mo)8(O)23

MO9O26 (Mo)1(O)2.8890000000000002

MOB4 (Ti,Mo)0.2(B)0.8

MOCOB (Mo,W)1(Co)1(B)1 > also WCoB

MONI4_BETA (Mo,W)1(Ni)4 > also WNi4

MONI_DELTA (Co,Ni,Fe,Cr,Re)24(W,Cr,Mo,Co,Fe,Re,Ni)20(W,Mo)12

MOO2 (Mo)1(O)2

MOO3 (Mo)1(O)3

MOSI2_C11B (W,Fe,Mo,Co,Ni)1(Ti,Hf,Zr,Si,Al)2

MSI2_C1 (Ni,Co)1(Si,Al)2

MSI_B27 (Y,Hf,Nb,Ti,Zr)1(Al,Si)1

MULLITE (Al+3)1(Al+3)1(Al+3,Si+4)1(O-2,Va)5

DIS_MU (Al,Co,Cr,Fe,Mn,Mo,Nb,Ni,Re,Ta,W)1 > Part of the description of MU_PHASE.

MU_PHASE (Co, Ni, Ta, Mn, Nb, Mo, Fe, Al, Re, Cr, W)1(Fe, Co, W, Re, Ni, Cr, Al, Mo, Nb, Mn, Ta)2(Ni, Fe, Cr, Al, Ta, Mn, W, Re, Co, Mo, Nb)6(Mo, Nb, Al, W, Co, Mn, Cr, Re, Fe, Ta, Ni)4


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MZR3_E1A (Ni,Co,Fe)1(Zr,Y)3 > COZR3, FEZR3, NiY3, COY3

NB13NI75TI12 (Nb)0.13(Ni)0.75(Ti)0.12

NB15NI56TI29 (Nb)0.15(Ni)0.56(Ti)0.29

NB15NI80TI5 (Nb)0.15(Ni)0.8(Ti)0.05

NB1O2 (Nb)1(O)2

NB2B3 (Nb)2(B)3

NB2O5 (Nb)2(O)5

NB3RU5 (Nb,Ru)0.375(Ru)0.625

NB5NI75TI20 (Nb)0.05(Ni)0.75(Ti)0.2

NB8NI9TI3 (Nb)0.4(Ni)0.45(Ti)0.15

NBH_BETA (Nb)1(Va,H)1.1

NBO (Nb)1(O)1

NBSN2 (Nb,Sn,V)1(Nb,Sn)2

NI10ZR7 (Ni)23(Zr,Hf)17

NI11ZR9 (Ni,Pd)11(Hf,Zr)9

NI17Y2 (Ni,Fe)1(Y)0.1176 > also Fe17Y2


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NI2SI_TETA (Ni)1(Ni,Va)1(Al,Si)1

NI2TA (Ni,Co)2(Ta)1

NI2V (Pd,Mo,Ni)2(Ta,Mo,V,Nb)1

NI2Y1 (Ni)2(Y)1

NI2Y3 (Ni)2(Y)3

NI31SI12 (Cr,Co,Ni,Fe)5(Si)2

NI3B_D011 (Ni,Co,Cr,Fe,Mo)3(B)1 > Ni3B, Co3B

NI3CR2B6 (Ni)3(Cr)2(B)6

NI3SI2 (Ni)3(Si)2

NI3SI_MONOCL (Ni)3(Si)1

NI3SI_ORTHO (Ni)3(Si)1

NI3SN2_HT (Ni)0.33333(Ni,Sn)0.33334(Sn)0.33333

NI3SN2_LT (Sn)0.2(Ni,Sn)0.4(Ni)0.4

NI3SN4 (Ni)0.25(Ni,Sn)0.25(Sn)0.5

NI3SN_D019 (Sn)1(Mn,Ni)3

NI3SN_HT (Sn,Ni)0.25(Sn,Ni)0.25(Ni)0.5


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NI3TA_D0A (Cr,Ni,Al,Nb,Fe,Co)3(V,Al,Mo,Ti,Ni,Fe,Nb,Ta,W)1 > also Ni3Mo, Ni3Nb

NI3TI_D024 (Zr, W, Ta, Ni, Fe, Cr, Pd, Co, Hf, Ti, Al)0.75(Hf, Al, Pd, W, Si, Zr, Ta, Mo, Ti, Cr, Ni, Nb)0.25 > also AlNi6Ta

NI3Y (Ni,Fe)3(Y)1 > also Fe3Y

NI4B3 (Ni)0.57142857(B)0.42857143

NI4SI2B (Ni)4.29(Si)2(B)1.43

NI4Y (Ni)4(Y)1

NI5ALB4 (Ni)5(Al)1(B)4

NI5ZR (Ni)5(Zr,Hf,Y)1 > also Ni5Y, Ni5Hf

NI6MNO8 (Ni+2)6(Mn+4)1(O-2)8

NI6SI2B (Ni)6(Si)2(B)1

NI7ZR2 (Co,Ni,Cr,Al)7(Zr,Hf,Y)2 > also NI7HF2, NI7Y2, CO7Y2 and CO7HF2

NI8ALB11 (Ni)8(Al)1(B)11

NI8TA (Ni)8(Ta,Nb)1

NICR3B6 (Ni)0.1(Cr)0.3(B)0.6

NIMNO3 (Mn+4,Mn+3,Ni+2)2(O-2)3

NIMOO4 (Ni+2)1(Mo+6)1(O-2)4


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NISI_B31 (Ni)1(Si)1

NITI2 (Re,Co,Ti,Cr,Ni,Mo,Pd,Fe)1(Cr,Hf,Ta,Zr,Ti,Al,Ni)2

NIWO4 (Ni+2,Fe+2,Co+2,Mn+2)1(W+6)1(O-2)4

NIZR (Ni)1(Y,Zr,Ti)1

O1_DIS (Ti,Nb,Al)0.75(Ti,Al,Nb)0.25

OLIVINE (Ni+2,Mn+2,Co+2,Fe+2)1(Co+2,Ni+2,Fe+2,Mn+2)1(Si+4)1(O-2)4

OMEGA (Mn,B,Ni,Ta,C,Mo,Ti,Fe,V,Nb,Re,Al,Co,Ru,W,Zr,Y,Si,Cr,Hf)1

DIS_SIG (Co,Cr,Fe,Mn,Mo,Nb,Ni,Re,Ru,Ta,V,W)1

ORD_SIG (Cr, Re, Mo, V, Mn, Fe, Nb, Ta, Co, Ni, W, Ru)10(Fe, Re, Mn, Co, Ta, Mo, Cr, Ni, V, Ru, Nb, W)4(Fe, Mo, Nb, Ta, Cr, Mn, Re, W, Ru, Ni, V, Co)16

O_PHASE (Ti,Nb,Ta)0.5(Al,Nb,Ti,Ta)0.25(Nb,Ti,Ta)0.25

PD2TI (Pd)2(Ti)1

PD3TI2 (Pd)3(Ti)2

PD4ZR3 (Pd)4(Zr)3

PD5TI3 (Pd)5(Ti)3

PDZRM (Pd)1(Zr)1(Pd,Zr)1

PDZR_ALPHA (Pd)1(Zr)1


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PDZR_BETA (Pd)1(Zr)1

PI (Cr)12.8(Fe,Ni)7.2(N)4

PSEUDO_BROOKITE (Ti+3,Al+3,Ti+4)1(Ti+3,Al+3,Ti+4)2(O-2)5

PT3TI4 (Pt)3(Ti)4

PT8TI (Pt)8(Ti)1

P_PHASE (Cr,Re,Ni,Fe)24(Fe,Mo,Re,Ni,Cr)20(Mo)12 > Prototype : Cr9Mo21Ni20

QUARTZ (Sio2)1

RE2O7 (O7Re2)1

RE2SI (Re)2(Si)1

RE3B (Mo,Ta,W,Cr,Re)3(B)1

RE3CO3B2 (Re)3(Co)3(B)2

RE5CO2B4 (Re)4(Re,Co)2(Co)1(B)4

RE7B3 (W,Re,Cr,Nb,Co,Ru,Ta,Mo)7(B)3(Va,B)3 > Th7Fe3

REB2 (Re)1(B)2(Va,B)2

RECOB (Re)1(Co)1(B)1

REO2 (O2Re1)1


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REO3 (O3Re1)1

RESI2_C11B (Re)0.357(Si)0.643

REZR2 (Ni,Re)1(Zr)2

RHODONITE (Mn+2)1(Si+4)1(O-2)3

RU1B2 (Ru)1(B)2

RU25Y44 (Ru)0.362(Y)0.638

RU2B3 (Ru)2(B)3

RU2SI3 (Ru)2(Si)3

RU2SI_C37 (Ru)2(Si)1

RU2SN3 (Ru)0.4(Sn)0.6

RU2Y3 (Ru)0.4(Y)0.6

RU2Y5 (Ru)0.286(Y)0.714

RU3SN7 (Ru)0.3(Sn)0.7

RU4SI3 (Ru)4(Si)3

RUB (Ru)1(B)1

RUSI (Ru)1(Si)1


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RUTILE_TIO2 (Ru+4,V+4,Al+3,Zr+4,Ti+4,Sn+4)1(O-2,Va-2)2

RUY3 (Ru)0.25(Y)0.75

R_PHASE (Cr,Co,Ni,Fe,Re)27(Mo,W)14(W,Mo,Fe,Ni,Co,Re,Cr)12 > Prototype : Co5Cr2Mo3

SI3N4 (Si)3(N)4

SI5V6 (Si)5(V)6

SIC (Si)1(B,C)1

SIGMA (V, Ru, Fe, Re, Nb, Ti, Si, Ni, Ta, Mn, Co, W, Mo, Cr, Al)10(Mn, Co, Si, Ti, Nb, Re, Fe, W, Ta, Ru, Mo, Cr, V, Ni)4(Cr, Re, W, Ta, Mo, Fe, Ru, Si, V, Ni, Mn, Co, Al, Nb, Ti)16

SILLIMANITE (Al+3)1(Al+3)1(Si+4)1(O-2)5

SN3O4 (Sn)3(O)4

SNO (Sn)1(O)1

SPINEL (Fe+3, Mn+2, Al+3, Co+2, Cr+2, Fe+2, Cr+3, Co+3, Ni+2)1(Al+3, Ni+2, Fe+3, Mn+4, Co+3, Co+2, Mn+3, Va, Fe+2, Cr+3, Mn+2)2(Fe+2, Mn+2, Cr+2, Va)2(O-2)4

T4CUFETI (Cu,Fe)0.63(Ti)0.37

T5CUFETI (Fe,Cu)0.55(Ti)0.45

TA1AL2 (Ti,Ta,Al)0.6389(Ta,Ti,Al)0.3611


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TA2H_EPSLON (Ta)2(H,Va)1

TA2O5_HT (Ta)2(O)5

TA2O5_LT (Ta)2(O)5

TA5SI3_D8L (Nb,Ta,Ti,Hf)5(Al,Si)3

TAAL (Ta,Ti,Al)0.8837(Ta,Al,Ti)1.1163

TAN_EPS (Ta)1(N)1

TAU (Co,Ni,Hf,Re)20(B)6(B,Va)6(Ta,Hf,Al,V,Zr,Cr,Re,Mo,Ti,W)3 > ternary borides, Prototype CR23C6

TI10O19 (Ti)10(O)19

TI20O39 (Ti)20(O)39

TI2ALC (Ti)2(Al)1(Va,C)1

TI2NIH (Ti)2(Ni)1(H)1

TI2N_C4 (Ti)2(N)1

TI2SN3 (Ti,Cr)2(Sn)3

TI2X_OMEGA (Ti)2(Nb,Zr,Re,Mo,Y,Si,Mn,V,Co,Ti,Ru,C,W,Cr,Ta,Ni,Al,Hf,B,Fe)1

TI3AL1C2 (Ti)3(Al,Si)1(C,Va)2

TI3AL1O1 (Ti)3(Al)0.9(O)1.1


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TI3ALC (Ti)3(Al)1(Va,C)1

TI3B4 (B)4(Mn,Hf,V,Nb,Ta,Cr,Al,Ti)3 > Prototype:Ta3B4, also Cr3B4, Mn3B4, Nb3B4, Ti3B4, V3B4

TI3CO5B2 (Ti)3(Co)5(B)2

TI3CU3O (Ti)3(Cu)3(O)1

TI3N2 (Ti)0.71(N)0.29

TI3O2 (Ti)3(O)2

TI3O5 (V,Ti)3(O)5

TI4CU2O (Ti)4(Cu)2(O)1

TI4N3 (Ti)0.685(N)0.315

TI4O7 (Ti,V)4(O)7

TI5AL3O2 (Ti)5(Al)3(O)2

TI5O9 (V,Ti)5(O)9

TI6O11 (Ti,V)6(O)11

TI6SI2B (Ti)6(Si)2(B)1

TI6SN5 (Cr,Nb,Ti,Mo,Zr)6(Sn,Al)5

TI7O13 (Ti,V)7(O)13


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TI8O15 (V,Ti)8(O)15

TI9O17 (Ti)9(O)17

TIB2_C32 (B)2(Cr,Ti,Zr,Mo,Mn,Ta,Y,Hf,Al,Nb,V)1 > AlB2, CrB2, MnB2, MoB2, NbB2, TaB2, TiB2, VB2, YB2, ZrB2

TIB_B27 (B)1(Zr,V,Ta,Hf,Y,Mn,Mo,Ti,Fe,Cr,W,Nb)1

TIO_ALPHA (Ti+2)1(O-2)1

TISI2_C54 (Mo,Nb,Zr,Ru,Ti)1(Sn,Al,Si)2

TRIDYMITE (Sio2)1

V2B3 (V)0.4(B)0.6

V2O5 (V+5)2(O-2)5

V2O_SS (V)1(O,Va)0.5

V3C2 (V)3(C)2

V3H2 (V)0.6(H)0.4

V3O5_LT (V+3)2(V+4)1(O-2)5

V3O7 (V+5)2(V+4)1(O-2)7

V52O64 (V)52(O)64

V5B6 (Ti,V,Nb)5(B)6


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V6O13 (V+5)2(V+4)4(O-2)13

VO2_LT (V+4)1(O-2)2

W1O2 (O2W1)1

W2COB2 (Mo,W)2(Ni,Co)1(B)2 > also Mo2NiB2 and Mo2CoB2

W3COC (W)3(Co,Ni)1(C)1 > also W3NiC

W5SI3_D8M (W,V,Ti,Mo,Cr,Fe,Nb)4(Si,Cr,Mo,V,W,Ti,Fe,Nb)1(Al,Si,Sn)3

WO2_72 (O2_72W1)1

WO2_90 (O2_90W1)1

WO2_96 (O2_96W1)1

WO3_HT (O3W1)1

WO3_LT (O3W1)1

Y15C19_H (C)19(Y)15

Y15C19_R (C)19(Y)15

Y1B6 (Y)1(B)6

Y2C3_H (Y)2(C)2(C,Va)1

Y2C3_R (Y)2(C)2(C,Va)1


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Y2S2A_Y2SI2O7 (Y+3)1(Y+3)1(Si2O7-6)1

Y2S2B_Y2SI2O7 (Y+3)1(Y+3)1(Si2O7-6)1

Y2S2D_Y2SI2O7 (Y+3)1(Y+3)1(Si2O7-6)1

Y2S2G_Y2SI2O7 (Y+3)1(Y+3)1(Si2O7-6)1

Y2SIO5 (Y+3)1(Y+3)1(Sio4-4)1(O-2)1

Y3SI5_HT (Y)3(Si)5

Y3SI5_LT (Y)3(Si)5

YAG (Cr+3,Al+3,Fe+3)5(Y+3)3(O-2)12

YAM (Si+4,Al+3)2(Y+3)4(Va,O-2)1(O-2)9

YAP (Al+3,Cr+3,Fe+3)1(Y+3)1(O-2)3

YB4 (Y)1(B)4

YB66 (Y)1(B)66

YC2_C11A (C2Y1)1

YC_GAMMA (Y)1(C2,Va,C)1

YH3_EPSLON (Y)1(H,Va)3

YSI2_HT (Y)1(Si)2


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ZR3Y4O12 (Zr+4)3(Y+3)4(O-2)12

ZR5SI4 (Hf,Y,Nb,Zr,Ti,Mo)5(Si,Al)4

ZRO2_MONO (Al+3,Cr+3,Hf+4,Ti+4,Y+3,Zr+4)2(Va,O-2)4

ZRO2_TETR (Hf+4,Mn+3,Zr+4,Mn+2,Fe+2,Ni+2,Al+3,Ti+4,Cr+3,Y+3)2(Va,O-2)4

ZRSI2_C49 (Y,Hf,Nb,Zr)1(Si)2

ZRSIO4 (Si+4)1(Zr+4,Y+3)1(Va,O-2)4

ZRTI2O6 (Zr+4)1(Ti+4)2(O-2)6

ZRTIO4_ALPHA (Zr+4)1(Ti+4)1(O-2)4

ZRTIO4_BETA (Zr+4,Ti+4)2(O-2)4

Z_PHASE (Cr,Fe)1(Mo,V,Nb)1(Va,N)1


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TCTI3 Properties DataFor more information about the models, and when in Thermo-Calc, press F1 to search the online help.

You can find information on our website about the thermophysical properties that can be calculated with Thermo-Calc and the Add-on Modules. Additional resources will also be made available on our website in the near future so keep checking back or subscribe to our newsletter.

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TCTI: TCS Ti/TiAl-based Alloys Database Revision HistoryCurrent Database Version

Database name (acronym):

Database owner:

Database version:

First release:

TCS Ti/TiAl-based Alloys Database (TCTI)

Thermo-Calc Software AB

3.0

TCTI1 was released in 2017

Changes in the Most Recent Database Release

TCTI2.2 to TCTI3.0

Software release 2021a (December 2020/January 2021)

l Added Copper (Cu), which is a minor-alloying element in titanium alloys.

l Ti-Cu, Cu-Fe, Cu-H, Cu-N, Cu-Nb, Cu-O, Cu-Si, Cu-Sn, Ti-Cu-C, Ti-Cu-Fe, Ti-Cu-H, Ti-Cu-N, Ti-Cu-Nb, Ti-Cu-O, Ti-Cu-Si, and Ti-Cu-Sn are modeled. Now it is possible to perform calculations for titanium alloys within the framework of Ti-Cu-Sn-Nb-Si. Moreover, the reliability can be enhanced by the availability of considering the effects from common impurities: C, Fe, H, N, and O.

l Al-Cu and Ti-Al-Cu are modeled, which is useful for both Ti- and TiAl-based alloys where alloying effects of Cu are of interest.

l Ti-Hf-Ta, Ti-B-Hf, Ti-Hf-Zr, and B-C-Si are modeled. These systems are of particular use for those involved in the development of biomedical materials because it combines cytocompatibility and improves mechanical properties.

l Viscosity and surface tension of liquid are included with the database as of this release.

Previous Releases

TCTI2.1 to TCTI2.2

Software release 2020b (June 2020)

l Improved description of liquid phase for calculations with yttrium.

TCTI2.0 to TCTI2.1

Software release 2019b (June 2019)

TCTI: TCS Ti/TiAl-based Alloys Database Revision History ǀ 48 of 49

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l Improved description of liquidus temperature for Ti64 alloy.

l Adjusted phase stability of HCP_A3 and BCC_A2 in some systems.

TCTI1 to TCTI2

Software release 2019a (December 2018)

l Volume data for most of the phases assessed.

l 4 new elements: Ag, H, Pd, Pt

l 33 new binary systems are assessed: Ti-Ag, Ti-H, Ti-Pd, Ti-Pt, Ag-Pd, Al-Pd, Cr-Pd, Mo-Pd, Ni-Pd, Pd-V, Pd-Zr, Al-H, B-H, C-H, Co-H, Cr-H, Fe-H, Hf-H, Mn-H, Mo-H, N-H, Nb-H, Ni-H, O-H, Re-H, Ru-H, Si-H, Sn-H, Ta-H, V-H, W-H, Y-H, Zr-H. Most of these are H-containing.

l 24 new ternary systems are modeled: Ti-Ag-Pd, Ti-Al-Fe, Ti-Al-H, Ti-Al-Pd, Ti-Al-Y, Ti-B-Si, Ti-C-Si, Ti-Cr-H, Ti-Cr-O, Ti-Cr-Si, Ti-Fe-Mo, Ti-H-Ni, Ti-H-O, Ti-H-Zr, Ti-Mo-O, Ti-Nb-O, Ti-Nb-Si, Ti-Ni-Pd, Ti-O-Si, Ti-O-Ta, Ti-O-V, Ti-O-W, Ti-O-Zr, Ti-Pd-V.

TCTI: TCS Ti/TiAl-based Alloys Database Revision History ǀ 49 of 49

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TCS Ti/TiAl-based Alloys Database (TCTI3): Technical InformationContentsAbout the TCS Ti/TiAl-based Alloys Database (TCTI)TCS Ti/TiAl-based Alloys Database (TCTI) ResourcesDatabase Specific Documentation

TCTI3 Elements, Systems, Phases, and PropertiesTCTI3 SystemsTCTI3 Assessed Binary SystemsTCTI3 Assessed Ternary Systems

TCTI3 PhasesCommon Phases for Titanium AlloysTCTI3 Models for the Included Phases

TCTI3 Properties DataTCTI: TCS Ti/TiAl-based Alloys Database Revision History

tcs ti/tial-based alloys database (tcti3) · tcti3 phases 12 common phases for titanium alloys 13...

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