This is new in FactSage 8.2. You can run Apps, Add-ons and shortcuts through the new FactSage Add-ons Menu.

New Apps, Add-ons and their associated files can be stored in the sub-folder \Add-ons_Apps. The menu command lines for the Add-ons etc. are stored in this sub-folder in the text file Add-ons_Apps.dat that you can edit.

This new option is directed to both regular and advanced users. It is versatile and simple to program.

The following is a partial listing from the file showing the 4 command lines associated with the screenshot below.

;Microstructure.exe                 ;EQUIThermCond.pptx ;Microstructure App              ; The Microstructure App is used calculate the thermal conductivities of microstructures. Model parameters for thermal conductivity calculations are available in several FactSage databases. _  _   The thermal conductivity of phases can be calculated as a function of temperature, porosity (intragrain porosity) and size (average grain size).;
;EquiSage.exe /F90IOe /TDB /EQUILIB ;ConvTDBintro.htm   ;ConvTDB App to import TDB files ; ConvTDB converts a TDB file to produce both compound (.cdb files) and solution (.sln .fdb files) databases. _  _  In FactSage such databases are stored in separate files.; 
;EquiSage.exe /EQUILIB /FTOPT       ;FactOptimal.ppt    ;FactOptimal shortcut            ; This shortcut runs Equilib and loads FactOptimal ; 
;EquiSage.exe /EQUILIB /MACRO  Macros\EquiEx_SET_Variables.mac; ;Run Equilib macro       ; Run macro Macros\EquiEx_SET_Variables.mac 

There is no limit to the number of add-ons, apps and shortcuts that can be included in the Add-ons Menu.

For more details click 'Add-ons > Add-ons, apps and shortcuts ...'

       - c:\Program Files (x86); Windows Defender and CPU; Renaming the FactSage folder; HTTP vs HTTPS; Windows 11

• Installing FactSage in c:\FactSage vs c:\Program Files (x86)

  We encourage users to install FactSage in the root directory, for example c:\FactSage, c:\FactSage82, etc.

  In FactSage there are over 17,000 files. With Windows Explorer it is easy to access the FactSage main folder (c:\FactSage etc.) and its subfolders that contain data (\FACTDATA), documents (\FACTHELP), figures (\FIGURES), macros (\MACROS\, etc. Private user folders (\PRIVATE, \USER ..) can be readily created and user files (*.equi, *.phas ..) easily moved between the subfolders.

  However IT may prefer you to install FactSage in c:\Program Files (x86) with the other 32-bit applications (do not store in c:\Program Files which is reserved for 64-bit applications).

  Installing in c:\Program Files (x86) is acceptable but it is not as easy to manipulate the files in c:\Program Files (x86) \FactSage. Care must be taken not to affect other applications. Note, all the data and user files will also be stored in c:\Program Files (x86) \FactSage and not in c:\ProgramData.

• Windows Defender and CPU - adding an exclusion to Windows Security

  The Antimalware Service Executable (MsMpEng.exe) is a background-running anti-virus service in Windows Defender. It may have a detrimental effect on CPU and cause unnecessary delays when running FactSage. The effect on CPU is displayed by the Task Manager (to bring up the Task Manager press Ctrl+Shift+Esc).

  With all the FactSage programs and data stored in the one location it is fairly easy to add the root directory (c:\FactSage, c:\FactSage82, etc.) to the Windows Defender's Exclusion List and stop Windows Defender from unnecessary file checking.

  For example, go to Start > Settings > Update & Security > Windows Security > Virus & threat protection. Under Virus & threat protection settings, select Manage settings, and then under Exclusions, select Add or remove exclusions. Select + Add an exclusion > Folder > ... For more details Google 'Add an exclusion to Windows Security'.

• Renaming c:\FactSage81 as c:\FactSage82

  Renaming the FactSage directory is straight forward. Let us say FactSage is installed in c:\FactSage81 but you wish to change the name to c:\FactSage82

  1. Use the Windows Explorer and rename c:\FactSage81 as c:\FactSage82

  2. Locate the text file Factwin.ini - i.e. c:\FactSage82\Factwin.ini.
  You can delete Factwin.ini in which case a new Factwin.ini will be generated with default settings.

  Or you can edit the text file Factwin.ini and globally change all text strings 'c:\FactSage81' to 'c:\FactSage82'
  This will assure that the list of connected databases, the list previous files and other personal settings are retained.
  But be careful when editing, do not corrupt the file!

  3. When you run FactSage (c:\FactSage82\FactSage.exe) the new/edited Factwin.ini will be refreshed.

  4. You may wish to edit the FactSage short-cut on the screen and change its name and properties. Point to the FactSage icon on the screen, mouse-right-click and select Rename and Properties.

• HTTP: vs HTTPS:

  Most of our URL links have been converted to the more secure HTTPS protocol - for example https://www.FactSage.com - FactSage home page; https://www.crct.polymtl.ca - CRCT home page; https://gtt-technologies.de - GTT-Technologies home page.

  In addition to encrypting the data transmitted between the server and your browser, the HTTPS protocol protects the transmitted data from being tampered.

• Windows 11

  To date we have seen no major issues when running FactSage 8.2 under Windows 11.

• The total number of stored phase diagrams has been increased by over 750.

  

• What's New in View Data - 'View Data > Help > What's New in View Data ...'

  The link What's New in View Data has been updated and gives a summary of the more important programming changes in View Data that have appeared since FactSage 6.1 (2009) until now FactSage 8.2 (2022).

  
  

• What's New in Equilib - 'Equilib > Reactants Window > Help > What's New in Equilib ...'

  The link What's New in Equilib has been updated and gives a summary of the more important programming changes in Equilib that have appeared since FactSage 6.1 (2009) until now FactSage 8.2 (2022).

• Thermal conductivity of microstructures

  The Microstructure app calculates the thermal conductivity of microstructures. It was first introduced in FactSage 8.1.

  In FactSage 8.2 the Microstructure app and its slide show have been revised and updated. The app is now accessible as an Add-on. Equilib Slide Shows - 'Equilib > Reactants Window > Help > Slide Show > Thermal conductivity of microstructures ..' The app is also accessible as an Add-on - in the FactSage Menu Window click Add-ons > FactOptimal ...

• Equilib - Parameters - 'Equilib > Parameters Window ...'

  The dimension limits of the system variables (number of elements, reactants, selected species, etc.) are posted in the Parameters Window

  In FactSage 8.2

  - the maximum number of components (elements + phase electrons) is now 70 (was 48)
  - the maximum number of selected species is now 7000 (was 5000)

  These new limits should help address dimension issues that can arise with large calculations involving FToxid data.

• FactSage Add-ons menu - 'Add-ons > Run Equilib Macro ...'

  With the new FactSage Add-ons menu it is possible to run a Macro from the FactSage Menu Window as shown in the screenshot.

  For example the following line command stored in \Add-ons_Apps\Add-ons_Apps.dat

  ;EquiSage.exe /EQUILIB /MACRO Macros\EquiEx_SET_Variables.mac; ;Run Equilib macro ; ;

  will run the macro Macros\EquiEx_SET_Variables.mac.

  For more details click 'Add-ons > Add-ons, apps and shortcuts ...'

  
  

• What's New in Macro Processing - 'Equilib > Reactants Window > File > Macro Processing > What's New in Macro Processing ...'

  In FactSage 8.2 the following new commands and variables have been added to the macro processing.

  
  SET PARAMETERS HISTORY ON (OFF)
      - save previous Equilib calculations 
      - when the macro processing is finished the History option is returned to its original setting.  
  
  List Window Values: $L_...$ 
     - these values apply to all possible species and phases. 
  
  $L_Mgas$      = total number of list gas species
  $L_Mliquid$   = total number of list liquid species  
  $L_Msolid$    = total number of list solid species 
  $L_Maqueous$  = total number of list aqueous species 
  $L_Mcompound$ = total number of list compound species = $L_Mgas$ + $L_Mliquid$ + $L_Msolid$ + $L_Maqueous$
  $L_Msolution$ = total number of list solution species 
  $L_Mtotal$    = total number of list species = $L_Mcompound$ + $L_Msolution$
  
  $L_+*$        = '+' column for list species *   - * = 1 - 7000
                  '0' not selected, '*' single phase, 'I' 2-phase, 'J' 3-phase,
                  'M' metastable (dormant), 'F' formation target, 'P' preciptate target, 'A' fixed activity
  
  List Species: $L_s?*$ - list species * = 1 - 7000; ? = a, n, N, P ...
     - note the values of * are fixed and are not affected by the species selection. 
     
  $L_sa*$ = list species activity
  $L_sn*$ = list species moles
  $L_sN*$ = list species name
  $L_sP*$ = list species phase state: 1 = gas, 2 = liquid, 3 = aqueous, 4 = solid, 5+ = solution 
  
  Example is given in the new EquiEx_List_Window.mac located in the Macros Folder.  
            
  KILL (DEL DELETE) COPY RENAME 
      - file names .equi, .phas and .mixt have been added to the commands.  
  
  The complete list of files is now .dat .equi .fig .phas .mac .mixt .res .tab .txt .xml .xls .xlsx
  

• What's new in FactOptimal in FactSage 8.2

  Some minor bugs have been fixed.

  The app is also accessible as an Add-on
  - in the FactSage Menu Window click Add-ons > FactOptimal ....

The OptiSage App is used for the assessment of Gibbs energy data. Various types of experimental data (phase diagram, enthalpy, activity data etc.) can be utilized in order to generate optimized parameters for the Gibbs energies of stoichiometric compounds as well as the excess coefficients of a wide range of non-ideal solution models.

In FactSage 8.2 there are now two OptiSage Apps - the traditional module that was developed in the early 2000's, and a new module that has been completely re-written. To reflect this major change the new app is named Calphad Optimizer.

The aim of a Calphad optimization is the determination of thermodynamic parameters that allow reproduction of all available experimental data. The Calphad Optimizer is combining a clear and easy to understand user interface with strong optimizers and extensive user feedback.



Most popular experimental data types are pre-defined and there is a test option to detect typos as soon as they are made.



Two different optimizers (Gaussian Process and NOMAD) are included and the user is presented with feedback during and after the optimization.



Through the feedback, Calphad Optimizer gives you control over the optimization progress - you are able to see the current status of the optimization and what experiment and fitting parameters are most sensitive.

Note: The Calphad Optimizer is not included with the standard FactSage installation because of the large size of the OptiSage package (1.3 GB). It is necessary to download the packge from the Internet.

The viscosity algorithm has been completely restructured.

The Viscosity App in FactSage 8.2 performs calculations approximately ten times faster than in earlier FactSage versions.

• FactPS is the compound database for use with the FACT databases (FToxid, FTsalt, etc.).

• In FactPS the following species have been added :

  LiNO2(s1,s2,l), KLi(NO3)2(s), KLi3(NO2)4(s)

• In FactPS data have been updated for the following compounds:

  TiB2, NaB5O8, U4F17, NaNO2, Tc

• In FactPS errors have been corrected for the following phases:

  Borax (Na2B4O7(H2O)10) solid, Cr gas, Ca(OH)2 aqueous

• In FactPS the following compounds have been removed:

  TeI4 (data were judged to be questionable), Li2Al2Si4O12, Fe2Cu2O4, Na2Cr2O4, Sb2O4, Na2Te2 (duplicates of LiAlSi2O6, FeCuO2, NaCrO2, SbO2 and NaTe) OAlOH (solid duplicate of Al2O3(H2O). OAlOH gas has not been removed.

• In FactPS the liquid Cp has been adjusted to provide better extrpolations to low temperatures:

  Ru, Be3N2, UF3, U10C19
  For U10C19 the solid Cp has been adjusted to provide better extrapolation to high temperatures.

• In FactPS volumetric properties (density @298.15 K, thermal expansion and compressibility B') and thermal conductivities have been entered for the following compounds (214 additions and modifications):

  Solid salts

  AlCl3 CaAlCl5 CaFeCl5 CeCl3 CeF3 CoAl2Cl8 FeSiO3_S1 CoF2 CoFe2Cl8 CrAl2Cl8 CrCl2 CrCl3 CrF2 Cs3CeCl6 CsCe2Cl7 FeAl2Cl8 FeCl2 FeCl3 K2CeCl5 K2CoCl4 K2FeCl4 K2PbCl4 K2ZnCl4_S1 K2ZnCl4_S2 K3Ce5Cl18 K3CeCl6 K3Mn2Cl7 K4MnCl6 K5Zn4Cl13 KAlCl4_S1 KAlCl4_S2 KCoCl3 KFeCl3 KFeCl4_S1 KFeCl4_S2 KMnCl3 KNiCl3 KPb2Cl5 KZn2Cl5 LaF3 Li2CoCl4 Li2FeCl4_S1 Li2FeCl4_S2 Li2MnCl4 Li2NiCl4 Li4CoCl6 Li6FeCl8 Li6NiCl8 LiAlCl4 LiCoCl3 LiFeCl4 LuF3_S1 LuF3_S2 MgAl2Cl8 MgFe2Cl8 MnAl2Cl8 MnCl2 MnF2_S1 MnF2_S2 MnFe2Cl8 Na2CoCl4 Na2FeCl4 Na2Mn3Cl8 Na2MnCl4 Na2NiCl4 Na2ZnCl4 Na3Ce5Cl18 Na6MnCl8 Na9Mn11Cl31 NaAlCl4 NaFeCl4 NaMn4Cl9 NiAl2Cl8 NiCl2 NiFe2Cl8 PbCl2 Rb2CeCl5 Rb3CeCl6 RbCe2Cl7 TiAl2Cl8_S1 TiAl2Cl8_S2 TiCl2 ZnCl2

  Solid oxides

  Ag2O Ca3Al2Si3O12 CaAl2SiO6 CaFeSi2O6 Cu2O Fe3Al2Si3O12 Fe3O4_S1 Fe3O4_S2 Fe3O4_S3 Fe3O4_S4 FeO (FeO)2(TiO2) (FeO)(TiO2) FeSiO3_S1 FeSiO3_S2 FeSiO3_S3 Al2Fe2O6 Al2TiO5 Al4TiO8 Ca2FeSi2O7 Ca2Mg2Al28O46 Ca2MgSi2O7 Ca2Ti2O5_S1 Ca2Ti2O5_S2 Ca3Fe2Si3O12 Ca3MgAl4O10 Ca3Ti2O6 Ca3Ti2O7 Ca5Ti4O13 CaFe4O7 CaMg2Al16O27 CaSiTiO5 Fe2Al4Si5O18 FeTi2O4 Mg4Al10Si2O23 Mn2SiO4 K10Mg5Si11O32 K2Ca2Si2O7 K2Ca2Si9O21 K2Ca3Si6O16 K2Ca6Si4O15 K2CaSiO4 K2Mg5Si12O30 K2MgSi3O8_S1 K2MgSi3O8_S2 K2MgSi5O12 K2MgSiO4_S1 K2MgSiO4_S2 K2O K2Si2O5_S1 K2Si2O5_S2 K2Si2O5_S3 K2Si4O9_S1 K2Si4O9_S2 K2SiO3 K2Ti2O5 K2Ti3O7 K2Ti6O13 K2TiO3 K4CaSi3O9 K4CaSi6O15 K4Mg2Si5O14 K4SiO4 K4TiO4 K8CaSi10O25 K8Ti5O14 KAlO2_S1 KAlO2_S2 MgAl2O4 Mg2TiO4_S1 Mg2TiO4_S2 MgTi2O5 MgTiO3 Mn2Al4Si5O18 Mn2O3_S1 Mn2O3_S2 Mn2TiO4_S1 Mn2TiO4_S2 Mn3Al2Si3O12 MnO2 MnSiO3 MnTi2O4 MnTi2O5 MnTiO3 Na10SiO7 Na2Al12O19 Na2Ca2Si2O7 Na2Ca3Al16O28 Na2Ca3Si6O16 Na2Ca8Al6O18 Na2CaSi5O12 Na2CaSiO4 Na2FeO2 Na2FeSiO4 Na2Mg2Si6O15 Na2MgSi4O10 Na2O_S1 Na2O_S2 Na2O_S3 Na2Si2O5_S1 Na2Si2O5_S2 Na2Si2O5_S3 Na2SiO3 Na2Ti2O5 Na2Ti3O7 Na2Ti6O13 Na2TiO3_S1 Na2TiO3_S2 Na3Fe5O9 Na3FeO3 Na4CaSi3O9 Na4FeO3 Na4SiO4 Na4TiO4 Na5FeO4 Na5FeSi4O12 Na6Si2O7 Na6Si8O19 Na8Ca3Si5O17 Na8Fe2O7 Na8Fe6Si15O40 Na8Ti5O14 NaAlO2_S1 NaAlO2_S2 NaFe2O3 NaFeO2_S1 NaFeSi2O6 Ti10O19 Ti20O39 Ti3O5_S1 Ti3O5_S2 Ti4O7 Ti5O9 Ti6O11 Ti7O13 Ti8O15 Ti9O17 TiO_S1 TiO_S2 Al2O3_S4 MgO

  In FactPS 8.2 there are a total of 4952 compounds and 7076 phases.

• FTdemo is the name for the old FACT Slide Show database developed around 2001. Although FTdemo is part of FACT Package of Databases, it is for demonstration calculations only. It should be used only for teaching - for example with the Slide Shows.

• For calculations where the results are important, you must NOT use the FTdemo database. Use the FactPS compound database and the FToxid, FTsalt, etc. databases. For detailed information on the FactPS, FToxid, FTsalt, etc. databases go to the FactSage Main Menu and click on Documentation.

FTlite is designed for thermodynamic and phase equilibrium calculations involving Al alloys, Mg alloys and Ti alloys. It can also be used to perform calculations involving mixtures of Li-Na-KMg-Ca-Sr-Ba with several other elements.

FTlite 8.2 is a major update of the database. A total of 932 binary systems (vs 864 in 8.1) have been evaluated, for most of them over the entire range of composition and for all stable phases. Several dozen ternary systems have been assessed, and important quaternary systems have also been evaluated.

FTlite 8.2 binary assessments full size

FTlite 8.2 contains 289 solution phases (vs 261 in 8.1) and 2064 pure compounds (vs 1774 in 8.1) with 2175 stoichiometric phases counting allotropic forms.

In addition the volumetric properties (density @298.15 K, thermal expansion and compressibility B') and thermal conductivities have been entered for the following solid compounds (124 additions):

Ag2O Al2O3 Al4C3 AlB2 AlCr2B2 AlCr3B4 AlN BaB6 BaC2 BN CaB6 CaO Co2B Co3B CoB CoN CoN3 Cr23C6 Cr2AlC Cr2B Cr2C Cr2N Cr2O3 Cr3B4 Cr3C Cr3C2 Cr5B3 Cr7C3 CrB CrB2 CrB4 CrN Cu2O Fe2B Fe2N Fe3B Fe3C Fe3O4_S1 Fe3O4_S2 Fe3O4_S3 Fe3O4_S4 Fe5C2 Fe6W6C Fe7C3 FeB GaN HfB2 InN K2O KB6 Li2O LiB3 MgAl2O4 MgB2 MgB4 MgB7 MgO Mn23C6 Mn2B Mn2N Mn3AlC Mn3B4 Mn5C2 Mn5SiC Mn6N4 Mn7C3 MnB MnB2 MnB4 MnN Mo2B Mo2C MoB MoB2 MoB4 MoC Na2C2 Na2O NaB15 Nb2AlC Nb2B3 Nb2C Nb3B2 Nb3B4 Nb5B6 NbB NbB2 Ni2B Ni3B Ni4B3' NiB NiO Si3N4 SrB6 SrC2 Ta2C TaN Ti2AlC Ti2C Ti2N Ti3AlC Ti2O Ti3B4 TiB TiB2 TiC TiN TiO V2AlC V2B3 V3B2 V3B4 VB VB2 VN W2B WB WC WN ZrB ZrB12 ZrB2 ZrC ZrN

Complete details on FTlite 8.2 including all the phase diagrams are given in the updated Documentation in the FactSage Main Menu Window.

The FToxid databases contain data for pure oxides and oxide solutions of over 20 elements as well as for dilute solutions of S, SO4, PO4, H2O/OH, CO3, F, Cl and I in the molten (slag) phase.

In FactSage 8.2 the updates to FToxid include the following evaluations:

• New optimizations of Cu-containing systems with CaO, MgO, FeO, Fe2O3, NiO, PbO, Al2O3, SiO2.

• New optimizations of Ni-containing systems with CaO, MgO, FeO, Fe2O3, Al2O3, SiO2.

• New optimizations of As-containing systems with Cu2O, CaO, FeO, Fe2O3, PbO, ZnO, SiO2.

• Optimizations of sulfur solubility in slags containing Cu2O, CaO, MgO, FeO, Fe2O3, NiO, PbO, ZnO, As2O3, Al2O3, SiO2.

In combination with the new FTsulf database, the updated FToxid database allows calculations of Cu, Ni, Pb, Zn, and As distributions between slag, liquid sulfide (matte) and liquid alloy.

Several solid solutions have been updated: Spinel (Ca and Cu added), Corundum (Ni added), Willemite (Ni added), Rhodonite (Ni added), and Monoxide. About a dozen stoichiometric compounds containing Cu, Ni or As have been added or modified.

In addition the Volumetric properties (density @298.15 K, thermal expansion and compressibility B') and thermal conductivities have been entered for the following solid oxide compounds (158 additions and modifications):

Ca3Al2Si3O12 CaAl2SiO6 CaFeSi2O6 Fe3Al2Si3O12 (FeO)2(TiO2) (FeO)(TiO2) FeSiO3_S1 FeSiO3_S2 FeSiO3_S3 Al2Fe2O6 Al2TiO5 Al4TiO8 Ca2FeSi2O7 Ca2Mg2Al28O46 Ca2MgSi2O7 Ca2Ti2O5_S1 Ca2Ti2O5_S2 Ca3Fe2Si3O12 Ca3MgAl4O10 Ca3Ti2O6 Ca3Ti2O7 Ca5Ti4O13 CaFe4O7 CaMg2Al16O27 CaSiTiO5 Fe2Al4Si5O18 FeTi2O4 Mg4Al10Si2O23 Mn2SiO4 Ca2Mn3O8 Ca2MnO4 Ca3Mn2O7 Ca4Mn3O10 CaMn2O4 CaMn3O6 CaMn4O8 CaMn7O12 CaMnO3 Cu2O K10Mg5Si11O32 K2Ca2Si2O7 K2Ca2Si9O21 K2Ca3Si6O16 K2Ca6Si4O15 K2CaSiO4 K2Mg5Si12O30 K2MgSi3O8_S1 K2MgSi3O8_S2 K2MgSi5O12 K2MgSiO4_S1 K2MgSiO4_S2 K2O K2Si2O5_S1 K2Si2O5_S2 K2Si2O5_S3 K2Si4O9_S1 K2Si4O9_S2 K2SiO3 K2Ti2O5 K2Ti2Si2O9 K2Ti3O7 K2Ti6O13 K2TiO3 K2TiSi2O7 K2TiSi4O11 K2TiSiO5 K4Ca3Al10O20 K4CaSi3O9 K4CaSi6O15 K4Mg2Si5O14 K4SiO4 K4TiO4 K6MgO4 K8CaSi10O25 K8Ti5O14 KAlO2_S1 KAlO2_S2 KMg2Al15O25 Mg2TiO4_S1 Mg2TiO4_S2 Mg6MnO8 MgTi2O5 MgTiO3 Mn2Al4Si5O18 Mn2O3_S1 Mn2O3_S2 Mn2TiO4_S1 Mn2TiO4_S2 Mn3Al2Si3O12 MnO2 MnSiO3 MnTi2O4 MnTi2O5 MnTiO3 Na10SiO7 Na2Al12O19 Na2Ca2Si2O7 Na2Ca3Al16O28 Na2Ca3Si6O16 Na2Ca8Al6O18 Na2CaSi5O12 Na2CaSiO4 Na2FeO2 Na2FeSiO4 Na2Mg2Si2O7 Na2Mg2Si6O15 Na2Mg5Si12O30 Na2MgSi4O10 Na2MgSiO4 Na2O_S1 Na2O_S2 Na2O_S3 Na2Si2O5_S1 Mg2TiO4_S1 Mg2TiO4_S2 Mg6MnO8 MgTi2O5 MgTiO3 Mn2Al4Si5O18 Na2Ti6O13 Na2Si2O5_S2 Na2Si2O5_S3 Na2SiO3 Na2Ti2O5 Na2Ti2Si2O9 Na2Ti3O7 Na3FeO3 Na2TiO3_S1 Na2TiO3_S2 Na2TiSi2O7 Na2TiSi4O11 Na2TiSiO5 Na3Fe5O9 Na4TiO4 Na4CaSi3O9 Na4Fe6O11 Na4FeO3 Na4Mg2Si3O10 Na4Mg3Si5O15 Na4SiO4 Na8Fe6Si15O40 Na5FeO4 Na5FeSi4O12 Na6Si2O7 Na6Si8O19 Na8Ca3Si5O17 Na8Fe2O7 NaFeSi2O6 Na8Ti5O14 NaAlO2_S1 NaAlO2_S2 NaFe2O3 NaFeO2_S1 NaFeO2_S2 Ti6O11 Ti10O19 Ti20O39 Ti3O5_S1 Ti3O5_S2 Ti4O7 Ti5O9 Ti7O13 Ti8O15 Ti9O17

Complete details on FToxid 8.2 including all the phase diagrams are given in the updated Documentation in the FactSage Main Menu Window.

The new FTsulf databases contain solutions and stoichiometric compounds in the Cu-Fe-Ni-Co-Cr-Mn-Pb-Zn-As-O-S system evaluated/optimized by the FACT group for applications involving equilibria among metal, liquid and solid sulfide phases, liquid and solid oxide phases and gas. This includes pyrometallurgy, hot corrosion, etc. The FTsulf solution database contains sulfide solutions and three major metal solutions (liquid, bcc and fcc), which are compatible with the sulfide solutions. The FTsulf compound database contains all stoichiometric sulfide, sulfate and arsenide compounds evaluated/optimized by the FACT group to be thermodynamically consistent with the FTsulf solution database.

For nearly all calculations involving sulfide solutions, the FTsulf databases supersede the FTmisc databases. In particular for calculations involving matte smelting, the FTsulf databases will provide better results in nearly all cases due to many improvements to the optimizations [2135-2139, 4023-4028, 4031-4035]. For example, the MAT2 phase is now more consistent with the FToxid and FSstel databases, contains oxygen as a component, and can be used at all compositions from pure metal to pure sulfide.

FTsulf 8.2 should NOT be used simultaneously with the FTlite, FScopp or FSlead databases.

Complete details on FTsulf 8.2 including all the phase diagrams are given in the updated Documentation in the FactSage Main Menu Window.

The FTsalt databases contain data for pure salts and salt solutions of 27 main cations:

Li, Na, K, Rb, Cs, Mg, Ca, Sr, Ba, Mn, Al, Fe(II), Fe(III), Co, Ni, Zn, Pb, La, Ce, Th, U(III), U(IV), Pu(III), Pu(IV), Cr(II), Cr(III), Mo(V)

and 10 main anions:

F, Cl, Br, I, NO2, NO3, ClO4, OH, CO3, SO4 as well as for dilute solutions of O2- and OH- in the molten salt phase.

In FTsalt volumetric properties (density @298.15 K, thermal expansion and compressibility B') and thermal conductivities have been entered for the following compounds and solutions (99 additions and modifications):

Solid salts (94 phases)

Ag2O AlCl3 CaAlCl5 CaFeCl5 CeCl3 CeF3 CoAl2Cl8 FeSiO3_S1 CoF2 CoFe2Cl8 CrAl2Cl8 CrCl2 CrCl3 CrF2 Cs3CeCl6 CsCe2Cl7 Cu2O FeAl2Cl8 FeCl2 FeCl3 K2CeCl5 K2CoCl4 K2FeCl4 K2O K2PbCl4 K2ZnCl4_S1 K2ZnCl4_S2 K3Ce5Cl18 K3CeCl6 K3Mn2Cl7 K4MnCl6 K5Zn4Cl13 KAlCl4_S1 KAlCl4_S2 KCoCl3 KFeCl3 KFeCl4_S1 KFeCl4_S2 KMnCl3 KNiCl3 KPb2Cl5 KZn2Cl5 LaF3 Li2CoCl4 Li2FeCl4_S1 Li2FeCl4_S2 Li2MnCl4 Li2NiCl4 Li4CoCl6 Li6FeCl8 Li6NiCl8 LiAlCl4 LiCoCl3 LiFeCl4 LuF3_S1 LuF3_S2 MgAl2Cl8 MgFe2Cl8 MgO MnAl2Cl8 MnCl2 MnF2_S1 MnF2_S2 MnFe2Cl8 Na2CoCl4 Na2FeCl4 Na2Mn3Cl8 Na2MnCl4 Na2NiCl4 Na2ZnCl4 Na2O_S1 Na2O_S2 Na2O_S3 Na3Ce5Cl18 Na6MnCl8 Na9Mn11Cl31 NaAlCl4 NaFeCl4 NaFeO2_S1 NaFeO2_S2 NaFeO2_S3 NaMn4Cl9 NiAl2Cl8 NiCl2 NiFe2Cl8 Rb2CeCl5 Rb3CeCl6 RbCe2Cl7 TiAl2Cl8_S1 TiAl2Cl8_S2 TiCl2 TiO_S1 TiO_S2 ZnCl2

Liquid salts (5 phases)

MgCl2 PbCl2 MnCl2 CoCl2 NiCl2

In addition the updates to the database include the following changes.
The Li cation has been added to the SALTK liquid solution (which was originally Na, K // NO3, NO2, Cl, CO3, ClO4 in FactSage 8.1).

Four new compounds LiClO4, LiNO2, KLi(NO3)2 and KLi3(NO2)4 have been added to the compound database and three compounds LiNO3, Li2CO3 and KLiCO3 have been updated.

LiClO4 has been added to the PERC solid solution, and two new LiNO2-rich solid solutions (LiNA and LiNB) have been introduced.

The SALTK liquid solution permits calculations for nitrate-rich solutions. The reciprocal ternary sub-systems Na, Li // NO3, NO2; K, Li // NO3, NO2; Na, Li // NO3, Cl; K, Li // NO3, Cl; Na, Li // NO3, CO3; K, Li // NO3, CO3; Na, Li // NO3, ClO4 and K, Li // NO3, ClO4 have been newly evaluated and optimized at all compositions (including all binary common-ion sub-systems), based on the experimental data available in the literature. This includes updates for the K2CO3-Li2CO3, KNO3-LiNO3, Li2CO3-LiCl, Li2CO3-LiNO3, Li2CO3-Na2CO3, LiCl-LiNO3 and LiNO3-NaNO3 binary sub-systems.

In SALTK, LiX-NaX, LiX-KX and NaX-KX (where X = NO2, Cl, CO3 or ClO4) as well as LiCl-Li2CO3, NaCl-Na2CO3 and KCl-K2CO3 (which were already available in SALTF) are the only solute-solute binary common-ion sub-systems that have been optimized.

Note that reactions of the type 4 ANO2 + BClO4 = 4 ANO3 + BCl (where A, B = Li, Na or K) have a very negative Gibbs energy change and thus are strongly shifted to the right. In order to inhibit those reactions (which may be kinetically hindered), it is possible to use virtual elements (This new feature was introduced in FactSage 8.1). Some detailed examples are provided in the Equilib Advanced Slide Show (see in particular example 15.6).

The total number of stored FTsalt phase diagrams is now 367 (was 351 in 8.1).

Complete details on FTsalt 8.2 including all the phase diagrams are given in Documentation in the FactSage Main Menu Window.

The FTmisc databases contain data for sulfides, alloys, etc.

In FTmisc 8.2 the MAT2 liquid sulfide/metal solution, and all solid solutions and stoichiometric compounds compatible with it, have been moved to the new FTsulf 8.2 database.

For the matte smelting system (S-Cu-Fe-Ni-Co-Pb-Zn-As), the remaining sulfide solid solutions and stoichiometric compounds are compatible with liquid matte [FTmisc-MATT]. This system has been superseded by the new FTsulf 8.2 database, which provides equally good or better results for most applications.

Complete details on FTmisc 8.2 including all the phase diagrams are given in Documentation.

FScopp is designed for thermodynamic and phase equilibrium calculations involving Cu alloys.

FScopp 8.2 is a major update of the database. A total of 545 binary systems (vs 422 in 8.2) have been evaluated, for most of them over the entire range of composition and for all stable phases. Several dozen ternary systems have been assessed, and important quaternary systems have also been evaluated. Complete details on FScopp 8.2 including all the phase diagrams are given in 'Documentation' in the FactSage Main Menu Window.

FScopp 8.2 binary assessments full size

FSlead is designed for thermodynamic and phase equilibrium calculations involving Pb alloys.

FSlead 8.2 is a major update of the database. A total of 253 binary systems (vs 161 in 8.1) have been evaluated, for most of them over the entire range of composition and for all stable phases. Several dozen ternary systems have been assessed, and important quaternary systems have also been evaluated. Complete details on FSlead 8.2 including all the phase diagrams are given in 'Documentation' in the FactSage Main Menu Window.

FSlead 8.2 binary assessments full size

FSstel covers a wide range of commercial grade carbon steels and stainless steels, and new high advanced steels under development.

With the addition or update of 16 rare earth elements (RE) the FactSage 8.2 database now contains 46 elements (was 32 in FactSage 8.1):

Al, B, Bi, C, Ca, Co, Cr, Cu, Fe, H, Hf, Mg, Mn, Mo, N, O, Nb, Ni, P, Pb, S, Sb, Si, Sn, Ta, Ti, V, W, Zn, Zr,
RE (Sc, Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu)

In FactSage 8.2 numerous binary rare-earth systems Fe-RE, Mn-RE, Co-RE, Ni-RE, Si-RE, Al-RE, and Mg-RE have been added. Many key binary, ternary and multi-component systems covering the Fe-Cr-Mo-Nb-Ni-Ta have been added or updated for improved phase diagram calculations in super alloys. The database related to Nd magnet (Fe-Nd-B-Dy-Pr-Tb) and its recycling process using liquid metal has been updated. The updates include 87 new binary, 7 updated binary, 10 new ternary and several new quaternary and high order systems. 11 new solution phases and 452 new compounds have also be added.

full size

In summary, in FSstel the following systems have been added or updated.

• New systems containing rare earth elements:
  a. Fe-RE (RE = Ce, Dy, Er, Gd, Ho, La, Lu, Nd, Pr, Sc, Sm, Tb, Tm, Y)
  b. Mn-RE (RE = Ce, Dy, Er, Gd, Ho, La, Lu, Nd, Pr, Sc, Sm, Tb, Tm, Y)
  c. Co-RE (RE = Ce, Dy, Er, Gd, Ho, La, Nd, Pr, Sm, Y)
  d. Ni-RE (RE = Ce, Dy, Er, Gd, Ho, La, Nd, Pr, Sm, Tb, Y)
  e. Si-RE (RE = Ce, Dy, Er, Gd, Ho, La, Nd, Pr, Sc, Sm, Tb, Tm, Y)
  f. Al-RE (RE = Ce, Dy, Er, Eu, Gd, Ho, Lu, Nd, Pr, Sc, Sm, Tb, Tm, Y, Yb)
  g. Mg-RE (RE = Ce, Dy, Nd, Pr, Tb)
  
  
• Nd magnet related systems:
  a. New Fe-Nd-Dy-B quaternary system including small amount of Pr, Tb, Cu, Ni, Co, etc., and reaction with liquid Mg.
  b. B-Sn, B-Pb, B-Zn, B-Dy, B-Tb, B-Pr, B-Nd, B-Mg, Mg-Ni, etc.
  
  
• Super alloy systems:
  a. New update of existing binary system: Mo-Ni, Fe-Ta, Ni-Ta, etc.
  b. New ternary systems: Cr-Nb-Ni, Mo-Ni-Ta, Fe-Ni-Ta, Mo-Nb-Ni
  

  The total number of stored FSstel phase diagrams is now 307 (was 304 in 8.1).

  Complete details on FSstel 8.2 including all the phase diagrams are given in 'Documentation' in the FactSage Main Menu Window.

A minor bug leading to underestimation of stability of pure magnetic elements has been fixed. All calculated equilibria have been corrected, only the activity information of pure elements might have been wrong.
• SGTE - the SGTE 2022 alloy databases
  The SGTE(2022) database is new and represents a significant update and revision of the previous SGTE(2020) alloy database.

  The 79 elements included in the database are,

  Ag, Al, Am, As, Au, B, Ba, Be, Bi, C, Ca, Cd, Ce, Co, Cr, Cs, Cu, Dy, Er, Eu, Fe, Ga, Gd, Ge, H, Hf, Hg, Ho, In, Ir, K, La, Li, Lu, Mg, Mn, Mo, N, Na, Nb, Nd, Ni, Np, O, Os, P, Pa, Pb, Pd, Pr, Pt, Pu, Rb, Re, Rh, Ru, S, Sb, Sc, Se, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Th, Ti, Tl, Tm, U, V, W, Y, Yb, Zn, Zr

  100 new binary systems and 1 ternary system have been added and 17 systems have been updated.

  Complete details on SGTE(2022) with revised documentation and all the calculated phase diagrams are given in Documentation in the FactSage Main Menu.

SpMCBN contains assessed thermodynamic parameters for binary and ternary alloys of high-temperature materials containing carbon, nitrogen, boron, and silicon. The alloys comprise the following systems:
Me1-Me2-C, Me1-Me2-N, Me1-Me2-B, Me1-Me2-Si, Me-C-N, Me-C-B, Me-C-Si, Me-N-B, Me-N-Si, Me-B-Si, Me1-Me2-Me3

The elements included in SpMCBN are:

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

In FactSage 8.2 modelling of approximately 60 'end-members' associated with several different phases has been completed to allow calculations for 4- or higher-component systems. Such calculations should be viewed as interpolations of somewhat lower accuracy than that associated with the fully assessed lower-order systems. In addition, a small adjustment to the assessed data for the liquid phase of the Nb-C system now avoids calculation of an inverse miscibility gap at very high temperatures in the liquid phase.

Complete details on SpMCBN 8.2 including all the phase diagrams are given in Documentation in the FactSage Main Menu.

A minor bug leading to underestimation of stability of pure magnetic elements has been fixed. All calculated equilibria have been corrected, only the activity information of pure elements might have been wrong.

A minor bug leading to underestimation of stability of pure magnetic elements has been fixed. All calculated equilibria have been corrected, only the activity information of pure elements might have been wrong.

Screenshot showing the summary of public databases in FactSage 8.2.

FactPS, ELEM and SGPS are compounds-only (pure substances) databases. All the other databases contain both compound and solution data. FactPS, FToxid, FTsulf, FTsalt, FTmisc, FThall, FTOxCN, FTfrtz, FThelg, FTpulp ELEM and FTdemo are included in the FACT package of databases. FTsulf is a new FACT database and SGTE(2022) is a new SGTE database in FactSage 8.2. FTlite and FTnucl are special FACT databases that are leased separately. FactPS, FToxid, FTsulf, FTsalt, FTmisc, FThall, FTlite, FScopp, FSlead, FSstel and SpMCBN have been updated in FactSage 8.2. For detailed database information go to the FactSage Main Menu and click Documentation.