Recent Developments of FactSage Software and Databases
Prof. Patrice Chartrand
Prof. In-Ho Jung
Montreal, Canada
CALPHAD XLIII – Changsha, 2014
Colleagues and collaborators
• Prof. Christopher W. Bale • Prof. Arthur D. Pelton • Prof. Patrice Chartrand • Dr. Sergei Decterov • Dr. Jacques Melançon • Dr. Christian Robelin • Dr. Aïmen Gheribi
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• Dr. Gunnar Eriksson • Prof. Klaus Hack • Dr. Stefan Petersen • Dr. Juergen Korb
• Prof. In-Ho Jung • Dr. Marie-Aline Van Ende • Dr. Pierre Hudon • Dr. Manas Paliwal • Dr. Minkyu Paik • Dr. Sazol Kumar Das • Ms. Elmira Moosavi-Khoonsari
• Ms. Ève Bélisle • Mr. Philippe Ouzilleau • Dr. Lilin Jin • Dr. Jian Wang • Dr. James Sangster • Ms. Evgenia Sokolenko • Mr. Zhizun Zhu
• Dr. Philip Spencer
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• Mr. Junghwan Kim • Mr. Dong-Geun Kim • Mr. Bikram Konar • Mr. Eric Thibodeau • Mr. Saikat Chatterjee • Mr. Sourav Panda • Mr. Senlin Cui • Mr. Sunyong Kwon
Colleagues and collaborators
• Prof. Christopher W. Bale • Prof. Arthur D. Pelton • Prof. Patrice Chartrand • Dr. Sergei Decterov • Dr. Jacques Melançon • Dr. Christian Robelin • Dr. Aïmen Gheribi
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• Dr. Gunnar Eriksson • Prof. Klaus Hack • Dr. Stefan Petersen • Dr. Juergen Korb
• Prof. In-Ho Jung • Dr. Marie-Aline Van Ende • Dr. Pierre Hudon • Dr. Manas Paliwal • Dr. Minkyu Paik • Dr. Sazol Kumar Das • Ms. Elmira Moosavi-Khoonsari
• Ms. Ève Bélisle • Mr. Philippe Ouzilleau • Dr. Lilin Jin • Dr. Jian Wang • Dr. James Sangster • Ms. Evgenia Sokolenko • Mr. Zhizun Zhu
• Dr. Philip Spencer
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• Mr. Junghwan Kim • Mr. Dong-Geun Kim • Mr. Bikram Konar • Mr. Eric Thibodeau • Mr. Saikat Chatterjee • Mr. Sourav Panda • Mr. Senlin Cui • Mr. Sunyong Kwon
COLLABORATORS • Prof. Youn-Bae Kang (Postech) • Prof. Eugene Jak (U. Queensland) • Dr. Dennis Shishin (U. Queensland) • Dr. Viktoria Prostakova (U. Queensland) • Dr. Jean-Philippe Harvey (CalTech) • Dr. Guillaume Lambotte (MIT) • Dr. Wan-Yi Kim (POSCO) • Dr. Adarsh Shukla (GE, India) • Dr. Peter Waldner (U. Leoben) • Prof. Zhanmin Cao (USTB) • Dr. Daniel K. Lindberg (Abo Akademi)
Outline
• A brief history of FactSage
• Current version: FactSage 6.4
• Upcoming version: FactSage 7.0
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A brief history…
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A brief history…
• The F*A*C*T / FactWin Era (EPM, 1976-2001)
• F*A*C*T on the MUSIC operating system with international connectivity (1976+);
• F*A*C*T on DOS (1994-1999) and FactWin on Windows (1999-2001);
• Modules (EQUILIB, REACTION, PREDOM, EpH, COMPOUND) coded in Fortran;
• Gibbs energy minimisation based on the SOLGASMIX algorithm of Dr. Gunnar Eriksson (U. Umea, Ecole Polytechnique de Montreal, RWTH, GTT-Technologies).
• A single integrated database.
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Prof. Arthur D. Pelton and Prof. Christopher W. Bale (May, 1974)
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A brief history…
• The ChemSage Era (RWTH / GTT, 1982-2001)
• ChemSage on DOS (1982-2001+) coded in Fortran;
• Gibbs energy minimisation based on the SOLGASMIX algorithm of Dr. Gunnar Eriksson (U. Umea, Ecole Polytechnique de Montreal, RWTH, GTT-Technologies).
• Application oriented mini-databases;
• ChemApp, a dynamically-linked library for user programs.
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Dr. Gunnar Eriksson (May, 2011)
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A brief history…
• The FactSage Era (2001-…)
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6.4 version
• Released in May 2013
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6.4 version
• FT, FS, SG, TD Databases
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FT Databases • Databases that are developed exclusively in Montreal,
Canada, at the CRCT, Ecole Polytechnique (Profs Pelton and Chartrand) and by McGill University (Prof. Jung);
FS Databases • Databases that are developed exclusively in Montreal,
Canada, at the CRCT Ecole Polytechnique, by McGill University, by GTT-Technologies (Dr. K. Hack) and by the Spencer Group (Dr. P. Spencer);
SG Databases • Databases that are developed by SGTE;
TD Databases • Databases that are developed by ThermoData
(Grenoble, France).
6.4 version
• FT Databases
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FactPS Database
• General Pure Substance Database;
• 4776 pure compounds from compilations and from critically assessed, optimized data.
• Can be combined, to complement data, with other databases • Same reference states (HSER, 3rd Law entropy).
6.4 version
• FT Databases
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FToxid Database
• Contains data for all pure oxides and oxide solutions (solid and liquid) formed among Al2O3, CaO, FeO, Fe2O3, MgO, SiO2.
• Includes various combinations of the above oxides with oxides of As2O3, B2O3, CoO, CrO, Cr2O3, Cu2O, GeO2, K2O, Na2O, MnO, Mn2O3, NiO, PbO, SnO, TiO2, Ti2O3, ZnO, ZrO2.
• Includes data for Al2O3-Re2O3 systems, where Re = La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu.
• The liquid/glass solution phase is called FToxid-Slag. FToxid-Slag includes dilute solutions of S, SO4, PO4, H2O/OH, CO3, F, Cl, I.
6.4 version
• FT Databases
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FTsalt Database
• Contains data for pure salts and salt solutions formed among various combinations of the 25 cations: • Li, Na, K, Rb, Cs, Mg, Ca, Sr, Ba, NH4, Mn, Al, Fe(II),
Fe(III), Co, Ni, Pb, La, Ce, Nd, U, Pu, Th, Cr, Mo and 8 anions:
• F, Cl, Br, I, NO3, OH, CO3, SO4.
6.4 version
• FT Databases
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FTmisc Database
• Contains data for various system;
• the system S-Cu-Fe-Mn-Ni-Co-Cr.
• the matte smelting (Pb-Zn) system S-Cu-Fe-Ni-Co-Pb-Zn-As.
• liquid Fe with dilute solutes Al, B, Bi, C, Ca, Ce, Co, Cr, Mg, Mn, Mo, N, Nb, Ni, O, P, Pb, S, Sb, Si, Te, Ti, V, W, Zn, Zr.
• liquid Sn with dilute solutes Al, Ca, Ce, Co, Cr, Cu, Fe, H, Mg, Mo, Na, Ni, O, P, S, Se, Si, Ti
• liquid Pb with dilute solues Ag, As, Au, Bi, Cu, Fe, Na, O, S, Sb, Sn, Zn
• the Hg-Cd-Zn-Te system
6.4 version
• FT Databases
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FThall Database
• Specialty database for the Hall-Heroult Process:
• Pure solids and solution phases in the LiF-NaF-MgF2-CaF2-AlF3-Li2O-Na2O-MgO-CaO-Al2O3-Al4C3-CO2 system
• liquid metal Al-Mg-Na-Li-Ca-F-O-C.
6.4 version
• FT Databases
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FTOxCN Database
• Specialty database for the oxycarbonitrides in reducing conditions
• Developed for the carbothermal reduction of alumina
• contains data for performing equilibrium calculations in the Al-(Si-Ca-Mg-Fe)-C-O-N-S system at very high temperatures.
6.4 version
• FT Databases
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FTfrtz Database
• Specialty database for ammonium-based fertilizers.
• Contains data for 26 pure salts and 14 salt solutions based on the family of ammonium nitrate (NH4NO3), ammonium di-hydrogen phosphate (NH4H2PO4), ammonium chloride (NH4Cl) and ammonium sulfate ((NH4)2SO4) fertilizers with additions of their corresponding potassium salts (and in some cases sodium salts). The model covers the addition of roughly up to 50 wt.% water (H2O).
6.4 version
• FT Databases
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FThelg Database
• Contains infinite dilution properties for over 1400 aqueous solute species taken from the GEOPIG-SUPCRT Helgeson public database and include the Helgeson equation of state for temperatures up to 350ºC and pressures up to 165 bar. Solute concentrations up to 0.5 molal.
6.4 version
• FT Databases
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FTpulp Database
• Specialty Database for pulp and paper recovery boilers (combustion of black liquor, and corrosion applications);
• Contains data for the system Na, K // Cl, SO4, S2O7, CO3, O, OH, S, S2, S3, S4, S5, S6, S7, S8.
6.4 version
• FT Databases
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FTlite Database
• Light Metal Alloys Database
• Includes the elements Ag, Al, As, Au, B, Ba, Be, Bi, C, Ce, Cr, Cu, Fe, Ga, Ge, H, Hf, Hg, In, K, La, Li, Mg, Mn, Mo, Na, Nb, Nd, Ni, O, P, Pb, S, Sb, Sc, Si, Sn, Sr, Ta, Ti, V, Y, W, Zn, Zr.
• Data are intended to provide a sound basis for calculations relating to the production and heat treatment of Al- and Mg-alloys.
6.4 version
• FS Databases
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FScopp Database
• Directed primarily to the liquid state of Cu-rich alloys and includes the elements Ag, Al, As, Au, Ba, Be, Bi, C, Ca, Cd, Ce, Co, Cr, Cu, Fe, Ga, Ge, In, Li, Mg, Mn, Nb, Nd, Ni, O, P, Pb, Pd, Pt, Pr, S, Sb, Se, Si, Sm, Sn, Sr, Te, Ti, Tl, V, Y, Zn, Zr.
• Also includes data for Cu-rich solid phases.
• The database is generally valid for the temperature range of approximately 400 to 1600ºC.
6.4 version
• FS Databases
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FSlead Database
• Directed primarily to the liquid state of Pb-rich alloys and includes the elements: Ag, Al, As, Au, Bi, C, Ca, Cd, Cu, Fe, Ga, Ge, Hg, In, Mn, Ni, O, Pb, Pd, S, Sb, Se, Si, Sn, Sr, Te, Tl, Zn, & Zr.
• Also includes data for Pb-rich solid phases.
• Is intended to provide a sound basis for calculations relating to lead production and refining.
6.4 version
• FS Databases
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FSstel Database
• Database for steels and steelmaking processes.
• Contains data for 132 completely assessed binary alloy systems, 99 ternary and 17 quaternary systems that include the elements Al, B, Bi, C, Ca, Ce, Co, Cr, Cu, Fe, Hf, La, Mg, Mn, Mo, N, O, Nb, Ni, P, Pb, S, Sb, Si, Sn, Ta, Te, Ti, V, W, Zr.
6.4 version
• FS Databases
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FSupsi Database
• Directed primarily to the liquid state of Si-rich alloys, with the particular aim of enabling calculation of impurity concentration levels in ultra-pure silicon.
• Includes the following elements as impurities in liquid silicon: Al, Au, B, C, Ca, Co, Cr, Cu, Fe, Ge, In, Mg, Mn, N, Ni, O, P, Pb, Sb, Si, Sn, Te, Ti, V, Zn.
• The elements included in the Si-rich solid solution are B, C, Ge, N, Sn, Ti, Zn. All other elements are treated as insoluble in solid Si.
6.4 version
• Main modules: EQUILIB
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1 kg of Cu concentrate (15oC)
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6.4 version
• Main modules: EQUILIB
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0.1 kg of silica flux (15oC)
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6.4 version
• Main modules: EQUILIB
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<A> kmol of humid air (15oC)
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6.4 version
• Main modules: EQUILIB
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<AB> kmol of O2 (15oC)
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6.4 version
• Main modules: EQUILIB
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6.4 version
• Main modules: EQUILIB
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How much air + enriched O2 are needed to reach 1260oC for heat losses of 50 kJ/kg of
concentrate
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F6.4 version
• Main modules: EQUILIB
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<A> = 5.99 5.99 mol of air
+ 5.99 mol of O2
per kg of concentrate
F6.4 version
• Main modules: EQUILIB
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Gas SO2 = 47.6 mol.%
F6.4 version
• Main modules: EQUILIB
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Matte
F6.4 version
• Main modules: EQUILIB
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Slag
31.4% SiO2
51.7% Fe(total)
0.37% Cu2O
F6.4 version
• Main modules: EQUILIB
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0.1 ppm wt. of H added Need the FactPS Database for H2(g) and other gaseous species
F6.4 version
• Main modules: EQUILIB
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Solidification target “L” on liquid – Scheil-Guliver cooling with 2oC step.
F6.4 version
• Main modules: EQUILIB
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5 microstructure constituents Final T = 556.10oC
F6.4 version
• Main modules: EQUILIB
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5 reactions upon cooling Final T = 556.10oC
F6.4 version
• Main modules: EQUILIB
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wt. % of phases vs T (log10 scale)
6.4 version
• Main modules: PHASE DIAGRAM
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6.4 version
• Main modules: PHASE DIAGRAM
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Automatic exclusion of undesired species from a lower priority database when using specialty database
6.4 version
• Main modules: PHASE DIAGRAM
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X-axis x(AlF3)
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6.4 version
• Main modules: PHASE DIAGRAM
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Y-axis T
constant P = 1 atm
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6.4 version
• Main modules: PHASE DIAGRAM
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6.4 version
• Main modules: PHASE DIAGRAM
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• T-X diagram • Isothermal sections (X-Y, Gibbs triangle,
reciprocal square) • Isoplethal sections • Chemical potential diagrams (log P vs T, log P
vs X, log P vs log a) • Volumetric diagrams • Enthalpy diagrams • Liquidus projections (X-Y, Gibbs triangle,
reciprocal square) • Solidus projections (X-Y, Gibbs triangle,
reciprocal square) • etc....
6.4 version
• Main modules: VISCOSITY
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Structural viscosity model for slag sand glasses Modified Quasichemical Model Slag structure Viscosity
6.4 version
• What is new in the current version of FactSage ?
– Para-equilibrium in EQUILIB and PHASE DIAGRAM Modules
– First-melting and solidus projections
– Enthalpy (H) – composition diagrams
– Automatic Reciprocal Diagram calculation settings
– « X » Species (avoid database inconsistencies)
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6.4 version
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• What is new in the current version of FactSage ? – Para-equilibrium in EQUILIB and PHASE DIAGRAM Modules
The user specifies, with an easy to use interface option, which species are diffusing
species (C, O, N, etc...)
6.4 version
• What is new in the current version of FactSage ? – Para-equilibrium in EQUILIB and PHASE DIAGRAM Modules
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Carbon is the only diffusive species
CEMENTITE + BCC_A2
CEMENTITE + FCC_A1
FCC_A1
FCC_A1 + BCC_A2
Fe - C - MnMn/(Fe+C+Mn) (g/g) = 0.02, 1 atm
C/(Fe+C+Mn) (g/g)
T(C
)
0.000 0.005 0.010 0.015 0.020
500
600
700
800
900
1000
FCC_A1
CEMENTITE + FCC_A1
CEMENTITE + BCC_A2
FCC_A1 + BCC_A2
Fe - C - Mn - paraequilibrium diffusing elements: CMn/(Fe+C+Mn) (g/g) = 0.02, 1 atm
C/(Fe+C+Mn) (g/g)
T(C
)
0.000 0.005 0.010 0.015 0.020
500
600
700
800
900
1000
Full equilibrium Paraequilibrium
6.4 version
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• Paraequilibrium
Blank no diffusion of any element: this is what happens during rapid solidification
FC
C_A
1 +
Cu
5Z
r(s)
HC
P_A
3 +
CuZ
r 2(s
)
CuZ
r 2(s
) +
Cu
10Z
r 7(s
)
Cu
8Z
r 3(s
) +
Cu
10Z
r 7(s
)
Cu
8Z
r 3(s
) +
Cu
51Z
r 14(s
)
Cu
5Z
r(s)
+ C
u51Z
r 14(s
)
Liquid + BCC_A2
Liquid
Cu - Zr1 atm
Zr/(Cu+Zr) (mol/mol)
T(C
)
0.0 0.2 0.4 0.6 0.8 1.0
0
200
400
600
800
1000
1200
1400
Paraequilibrium diagram
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BCC_A2
Liquid
HCP_A3FCC_A1
Cu - Zr - phase with minimum G1 atm
Zr/(Cu+Zr) (mol/mol)
T(C
)
0.0 0.2 0.4 0.6 0.8 1.0
0
200
400
600
800
1000
1200
1400
1600
1800
2000
Possible range for Amorphous formation
Full equilibrium
Paraequilibrium: Rapid solidification
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
0.10.20.30.40.50.60.70.80.9
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
Mg
Cu Zrmole fraction
Liquid
Laves_C36
BCC_A2
HCP_A3
FCC_A1
FCC_A1 BCC_A2HCP_A3
Cu - Zr - Mg - phase with minimum G
300oC, 1 atm
6.4 version
• What is new in the current version of FactSage ? – First-melting and solidus projections
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6.4 version
• What is new in the current version of FactSage ? – Enthalpy (H) – composition diagrams
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100 oC
200 oC
300 oC
400 oC
500 oC
600 oC
700 oC
800 oC
Liquid
Liq + Si
Liq + Si + SrSi2Al2
Liq + FCC_A1 + Si + SrSi2Al2
Liq + SrSi2Al2
Liq + FCC_A1
Liq + FCC_A1 + SrSi2Al2
FCC_A1 + Si + SrSi2Al2
FCC_A1 + Si + Mg2Si + SrSi2Al2
FCC_A1 + SrSi2Al2
FCC_A1 + Mg2Si + SrSi2Al2
Al - Si - Mg - Sr
0.3 wt.% Mg, 0.1 wt.% Sr
wt. % Si
H -
H2
5 C
(k
J/k
g)
0 5 10 15 20 25 30
0
200
400
600
800
1000
1200
1400
1600
6.4 version
• What is new in the current version of FactSage ? – Enthalpy (H) – composition diagrams
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30%SiO2
Tinitial
Iso-Temperature
Enthalpy diagram option
SiO2
MgO FeO
CALPHAD XLIII - Changsha, 2014 55
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125 oC
225 oC
325 oC
425 oC
525 oC
625 oC
725 oC
825 oC
925 oC
1025 oC
1125 oC
1225 oC
1325 oC
1425 oC
1525 oC
1625 oC
1725 oC
1825 oC
2025 oC2125
oC2225
oC2325
oC2425
oC
AMonoxide + AMonoxide#2 + AOlivine
AMonoxide + AOlivine
ASlag-liq + AMonoxide + AOlivine
ASlag-liq + AOlivine
ASlag-liq
ASlag-liq + AMonoxide
AOlivine + SiO2(s)
AOlivine + SiO2(s2)
AOlivine + SiO2(s4)
MgO - FeO - SiO2
SiO2/(MgO+FeO+SiO
2) (g/g) = 0.3, 1 atm
MgO/(MgO+FeO+SiO2) (g/g)
H -
H25 C
(J
/g)
0 0.1 0.2 0.3 0.4 0.5 0.6
0
500
1000
1500
2000
2500
3000
6.4 version
• What is new in the current version of FactSage ? – Enthalpy (H) – composition diagrams
6.4 version
• Macro processing for process simulation - Simple flow sheet type process calculations
- Complex process simulation model
- Input from & output to Excel file
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6.4 version
• What is new in the current version of FactSage ? – Automatic Reciprocal Diagram calculation setting
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Old type input
New type input
6.4 version
• What is new in the current version of FactSage ? – Automatic Reciprocal Diagram calculation setting
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Automatic setup of electro-neutrality condition: Na + 2 Ca = F + Cl
7.0 version
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FactSage 7.0
(to be released in Autumn 2014)
7.0 version
• What will be in the upcoming version of FactSage ? – New SOLUTION Module
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7.0 version
• What will be in the upcoming version of FactSage ? – New SOLUTION Module
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Toop interpolation Kohler interpolation
7.0 version
• What will be in the upcoming version of FactSage ? – Big update of our FToxid Database
1) Expansion of P2O5 in oxide database: CaO-MgO-FetO-MnO-SiO2-Al2O3-Na2O-BaO-Li2O- K2O-P2O5 for P distribution between steel/slag/gas/other in various pyrometallurgical applications.
2) Expansion of oxides toward oxy-fluoride systems: CaO-SiO2-Al2O3-MgO-Na2O-K2O-F (Ca,Al,Si,Mg,Na,K//O,F) for special refining slag, mold flux and other applications.
3) Improved K2O and Na2O in oxide system: CaO-SiO2-Al2O3-MgO-Na2O-K2O-etc. for coal combustion, ceramic processing, and other applications.
– New update for viscosity database Accuracy of FeO-Fe2O3 containing systems is largely improved.
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7.0 version
• What will be in the upcoming version of FactSage ?
– New Refractory Metal Alloys Database • Carbide, Nitride, Boride and Silicide Systems
• B, C, N, Si with Al, Ca, Co, Cr, Fe, Hf, Mg, Mn, Mo, Nb, Ni, Re, Sc, Ta, Tc, Ti, V, W, Y, Zr
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7.0 version
• What will be in the upcoming version of FactSage ?
– New FTnucl Database • Th-U-Np-Am-Pu + O-C-N + Fe-Ba-Zr-Ru + Li-Na-K-Rb-Cs + He-Ne-Ar-Xe-Kr
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FTnucl
F
F
F
F
gas
liquid
gas + liquid
gas + liquid
liquid + C
FCC(dicarbide) + C
ThC2(monoclinic) + C
ThC2(CaC2) + C
FCC + FCC
FCC + ThC2FCC(metal) + FCC(carbide)
FCC(carbide)
liquid + FCC
BCC + FCC
FCC(dicarbide)
FCC(metal)
Th - C
mole fraction C
Tem
per
atu
re (
oC
)
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1
300
600
900
1200
1500
1800
2100
2400
2700
3000
3300
3600
3900
4200
4500
4800
5100
5400
0.6
0.7
0.10.20.30.4
0.3
0.4
O
U Bamole fraction U
mol
e fract
ion O
mole fra
ction B
a
Liquid
FCC_C1 + Liquid + Liquid#2
gas_ideal + A2BCX6 + Liquid
gas_ideal + A2BCX6 + BaUO4(s)
gas_ideal + Liquid + BaO(s)
FCC_C1 + Liquid
A2BCX6 + Liquid
FCC_C1 + A2BCX6 + Liquid
gas + Liq. + FCC_C1
P(O2) = 8.56x10-17
bar
P(O2) = 3.38x10-16
bar
P(O2) = 0.93 bar
Liq. + FCC_C1 + BaU2O6
P(O2) = 0.238 bar
FC
C_C
1
Perovskite
FCC_C1 + BaU2U6 + Ba2U2O7
Liquid
Liq. + BaU2O6 + Ba2U2O7
BaU2O6
Ba2U2O7
BaUO4
Ba2U3O11
BaUO3
Ba3UO6
P(O2) = 1.93x10-2
bar
P(O2) = 7.79x10-4
bar
FCC_C1 + Ba2U2O7 + Perovskite
Ba - U - O
2273.15 K, 1 bar
Beyond 7.0 version
65 CALPHAD XLIII - Changsha, 2014
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Beyond FactSage 7.0
(Autumn 2015 ?)
Solidification model (1D): 2015
66 CALPHAD XLIII - Changsha, 2014
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Calculation takes less than 1 mins !! - Numerical calculation: Implicit method - Compositional independent Diffusivity - Multicomponent system
Solidification model (1D): 2015
67 CALPHAD XLIII - Changsha, 2014
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SD
AS
(µ
m)
Cooling rate (K/sec)
[18]
[19]
Model
Mg-3%Al-1%Zn
Mg-3%Al
Future direction of FactSage
68 CALPHAD XLIII - Changsha, 2014
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• FactSage was always developed from a university environment;
• Historically a strong emphasis has been given to thermodynamic and physical property model developments:
– Modified Quasichemical Model (1 subl. Pair, 2 subl. Pair, 2 subl. Quads)
– Unified Interaction Parameter Formalism;
– Viscosity (slags, salts, metals);
– Electrical conductivity and ionic mobilities;
– etc…
The FactSage development team remains fully dedicated to keep a strong fundamental background to CALPHAD type of modeling.
Future direction of FactSage
69 CALPHAD XLIII - Changsha, 2014
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Thermodynamic models & databases
Physical properties database - Mobility (atoms, ions, …) - Viscosity - Molar volume/density - Thermal/electrical properties - Surface tension
Solidification simulation
Development of special process simulation tools for industrial applications
Precipitation/annealing simulation