What's New in FactSage 7.3

www.FactSage.com

(March 2019)

The FactSage 7.3 Update/Installation permits you to upgrade/refresh FactSage 7.0, 7.1 and 7.2 to FactSage 7.3. Alternatively you can install FactSage 7.3 into a new folder or on to a new computer.

With new additions and extensive modifications, particularly to the databases, documentation and automatic updating service, FactSage 7.3 is a major update to the FactSage package. The total number of files is now over 14,000.

What follows is a list of the more important programming, database and documentation changes in FactSage 7.3 (2019) with respect to FactSage 7.2 (2018).

1. General:

2. Modules: 3. Databases: 4. Previous FactSage Updates


1. General:

  • FactSage 7.3 News
      Important!
      After installation you should periodically check the latest news about FactSage 7.3 where we immediately report any 'bugs' and other issues as they surface -

      In FactSage 7.3 it is now possible to display this latest news - in the FactSage Main Menu click
      'Information > FactSage 7.3 ~ News ~ from www.FactSage.com ...'

      Alternatively visit www.FactSage.com > 'FactSage 7.3 ~ News ~'

      FactSage 7.3
      ~ News ~

      The 'bugs' and other issues highlighted in the previous 'FactSage 7.2 ~ News ~' have been resolved.


  • FactSage 7.3 Update/Installation/Menu
    • Download FactSage 7.3 - The FactSage 7.3 Update/Installation program contains the complete 7.3 package of software, databases and documentation. It can be downloaded from the Internet. For details visit www.factsage.com and click on 'Download Service' and then 'FactSage 7.3 Update/Installation '. For certain installations it may not be possible to download the file - for example you may get an error message such as 'webpage cannot be found'. This could be because the security settings on your computer are blocking the transfer of a ".zip" file or the file is too large to be downloaded. Check with your IT group.

    • FactSage Installation - The FactSage 7.3 Update/Installation program is a one-stage installation and update program. The program runs a self extractor that automatically performs the extraction operation before starting the installation. You can update FactSage 7.0 - 7.2 (but not FactSage 6.4) that is already installed on the PC or you can install FactSage 7.3 into a new folder or on to a new computer. See below (Update/Refresh FactSage 7.3) for more details.

    • Show Me - For details on FactSage 7.3 Update/Installation refer to the Show Me documentation. FactSage 7.3 may be installed as

      • Standalone Single User- the complete FactSage package will be installed on the computer. The program cannot be accessed by other computers. The Standalone computer requires a security key (dongle) attached to a USB port.
      • Network Server- the complete FactSage package will be installed on the computer in a public folder that is 'share read-only' to other computers on the network. The files can be read and copied by other computers (Network Clients). In a small network of several computers the FactSage Network Server can be any computer, but not a virtual machine.
      • Network Client - only the FactSage modules and databases will be installed on the computer. The computer will have access to the documentation, example, figure, etc. files already installed in FactSage on the Network Server.

    • Server/Client Installation - For a client installation on the network, the program FactSageClient enables the Client workstation to locate the Server installation. The program is run prior to the FactSage 7.3 setup program and is well-suited for Windows 7, Windows 8 and Windows 10 installations. Details are given in ShowMe which is part of the installation package.

    • Server/Client Update - If the FactSage Client is already running FactSage on a network installation and the Server installation is then updated (for example a new version or new databases), the Client installation will not be updated until a new day. This default action can be overridden - to immediately update FactSage on the Client workstation, in the FactSage Main Menu of the client PC click on 'Tools > FactSage Network > Refresh Client installation ...'.

    • Windows Vista, Windows 7, Windows 8, Windows 10 - FactSage 7.3 has been successfully installed and tested under Windows Vista, Windows 7, 8 and 10 operating systems. All programs run as designed including the Solution module (see below). The dongle drivers distributed with FactSage 6.4 (or earlier) are outdated. The latest drivers (see below) are very well suited for installing under Windows 7, Windows 8 and Windows 10.

    • Windows XP no longer supported by Microsoft - FactSage should still run under Windows XP even though Windows XP is no longer supported by Microsoft. According to Microsoft if you continue to use Windows XP now that support has ended, your computer will still work but it might become more vulnerable to security risks and viruses.

    • Sentinel HASP Drivers - FactSage MemoHASP dongles are also referred to as Sentinel Security Keys and more recently Sentinel LDK keys. The dongles are supplied by SafeNet Inc. In FactSage 6.4 (and earlier) it was often difficult to install the drivers especially under Windows 7, Windows 8 and Windows 10. FactSage 7.3 employs installation software from SafeNet Inc. and it is fairly straight forward to install the drivers. For instructions click on 'Tools > Sentinel Security Key > Information ...'

    • FactSage dongle status - When a valid HASP dongle is attached to a USB port on the computer you are able to run a standalone version of FactSage. If FactSage issues an error message about a 'missing or invalid FactSage HASP security key' it goes into the FactSage SetUp mode with a green screen. There are several factors that can cause this to happen.

      This new feature was first introduced in FactSage 7.0 and remains unchanged. It displays the status of the FactSage dongle attached to the computer. This helps you to diagnose the source of the error message.

      • Run FactSage 7.3 and display the FactSage Main Menu Window.

      • Click on 'Tools > FactSage dongle status > Explanation of dongle status... ' and follow the instructions.

      The 'FactSage dongle status' Window shown here is for an installation where a valid FactSage dongle is attached and everything is in order (i.e. 1 - 5. All OK).



  • Korean Windows - Error re: ...\FACTDATA\FS50soln.sdc

      When running FactSage 7.2 under Korean Windows there was error message "Korean Windows - Error re: ...\FACTDATA\FS50soln.sdc" followed by a complete crash of the program.

      In FactSage 7.3 the problem has been resolved and this message no longer appears.



  • Update/Refresh FactSage 7.3

    The FactSage 7.3 Installation program enables you to update/refresh FactSage 7.3 software, documentation and databases to the full FactSage 7.3 package.

    You can update/refresh a FactSage Standalone computer or a Network Server. In the case of a network installation it is only necessary to update/refresh the Network Server.

      You can update a FactSage 7.0 - 7.2 installation.

      Do not update a FactSage 6.4 installation - in this case select 'New FactSage installation' and install FactSage 7.3 in a new folder.


    2. Modules:


  • Information

    • FactSage 7.3 Updates - this online service is completely new

      If your computer has access to the Internet you can use FactSage 7.3 to download and update various FactSage files from www.factsage.com.

      In the FactSage Main Menu Window click Tools > FactSage Updates to display the following options:

      • Help ...
            - for details on the following options

      • Check for updates ...
            - to list the files that can be updated

      • 1. Update Profiles73.ini
            - to update/refresh your FactSage 7.3 expiration dates
        This avoids the necessity to manually download and install an updated Profiles73.ini. Any new special database FSstel, FTlite, SpMCBN, etc. will also be downloaded at the same time.

      • 2. Update FactSage 7.3 patches
            - to update and install the latest FactSage 7.3 patches.
        This avoids the necessity to manually download and install the FactSage 7.3 patches.

      • 3. Download the complete FactSage 7.3 Update/Installation Package
            - the most recent FactSage 7.3 Package (CD-FactSage73.exe) with the latest profiles file, Profiles73.ini.

      • 4. Download the complete FactSage 7.4 Update/Installation Package
            - this will be available after FactSage 7.4 has been released at a future date.

      For the updating to succeed the following conditions must be satisfied:

        - your computer has access to www.factsage.com
        - you are running FactSage 7.3 as a standalone or server installation i.e. not network client installation


    • FactSage 7.3 Updates - Automatic Notification

      When you first run FactSage 7.3 the program tries to connect to www.factsage.com and check if your installation has the latest Profiles73.ini, special databases and patches.

      When necessary an 'Updates are ready.' message is posted in the FactSage Main Menu Window.


  • Documentation - FactSage Browser
    • The total number of stored phase diagrams has been increased by over 700.


  • View Data

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

      The new link What's New in View Data gives a summary of the more important programming changes in View Data that have appeared since FactSage 6.1 (2009).


    • Limited data species

      Limited data species are solid and liquid compound and aqueous species that have limited data at 25oC - for example the Gibbs energy of formation at 298.15 K is known but not the Cp and enthalpy data.

      The limited data species are not retrieved when scanning the databases in Predom, EhpH, Equilib and Phase Diagram calculations because they cannot be used at temperatures other than 25oC. In most cases the species are unimportant anyway.

      However the limited data species are accessible to View Data and Reaction.

      The top screenshot is the View Data Cp(T) tab display of Zn(OH)2 and shows the data for 4 phases (3 allotropes and 1 aqueous).

      • S1 - Delta Go formation at 298 K - no H, S or Cp data

      • S2 - Delta Go formation and So at 298 K - no H or Cp data

      • S3 - Delta Go formation, So and Cp at 298 K

      • Aq - Delta Go formation at 298 K - no H, S or Cp data




      The bottom screenshot shows the tabular output for the temperature range 298.15 - 500 K.

      In FactSage 7.3 the restrictions are now clearly indicated. In View Data (and Reaction - not shown here) all the phases of Zn(OH)2 are accessible but the phases with limited data are only accessible at 298.15K.

    • Displaying references and comments stored in compound databases

      In View Data the compound reference numbers, when available, are listed on the right hand side in the Refs. column. These reference numbers only apply to the phases.

      There may be references for the compound that do not appear in the Refs. column. All compound and phase reference numbers are now listed at the top. The actual reference citations can be displayed by clicking the Refs. tab.

      The screenshot on the right shows all references associated with SiO2 taken from the FactPS compound database.


      In View Data there is a new option in the 'Sort Compounds' dropdown menu to list all the references stored in a compound database.

      This option is mainly applicable to the FACT (FT) databases where there are extensive lists of references.

      The screenshots show how to list the reference numbers stored in the FactPS compound database.


      Compound reference numbers are stored in the FactPS compound database but are not available in the SGPS pure substances compound database.

      However there may be 'comments' associated with each compound. Such comments can now be displayed by clicking the Refs. tab.

      The screenshot shows the comments associated with Co taken from the SGPS compound database.


  • Solution

      In FactSage 7.0 the solution file structures were reformatted to a new solution database format. The old solution files (*.dat, *.sdb, *.sda) were replaced by two new files :

      • *soln.sln files - private text data, e.g. Copysoln.sln, Testsoln.sln
      • *soln.sdc files - protected public data, e.g. FTOxid53soln.sdc (FToxid)

      The new structure has worked well in FactSage 7.2 and requires no fixes.


  • Equilib


    • Back diffusion calculations - new in FactSage 7.3

      Back diffusion is now permitted as an option with Scheil-Gulliver Cooling in Equilib.

      In Scheil-Gulliver cooling with back diffusion, specified elements are permitted to equilibrate between phases during cooling. Other elements, once precipitated, remain in their solid phases and are removed from the mass balance as in regular Scheil cooling. After each incremental temperature decrease, Equilib permits exchange of only the specified diffusing elements among phases until their chemical potentials are the same in all phases. Input is exactly as in regular Scheil cooling except that the diffusing elements are specified. Output is similar to regular Scheil cooling.

      For details consult 'Slide Show > Equilib - Advanced Features ' and refer to slides 1.2, 13.1, 13.3.6, 13.3.7.


    • Final conditions - Equilib Menu Window

      The screenshot shows the Equilib Menu Window for a system where the input reactants are:

        <1-A> CH4 + <A> O2 at 25oC

      In the Final Conditions frame:

        <A> = 0.6 0.65 0.05 (i.e. <A> = 0.6, 0.65, 0.7)
        T(C) is undefined
        P = 1 atm
        Delta H = 0 (adiabatic reaction)

      The Results Window shows the product equilibria for <A> = 0.65 (page 2/3) where calculated adiabatic temperature is 2784.71oC

      At the bottom is displayed:

      Final conditions: <A> = 0.6 0.7 0.05, P(atm) = 1, Delta H(J) = 0

      - this additional line is new in FactSage 7.3.

    • Final conditions - Equilib Results Window

      Generally the Final Conditions are set in the Equilib Menu Window as shown above.

      In FactSage 7.3 it is also possible to set the Final Conditions in the Equilib Results Window.

      Click 'Final Conditions > Show' to display the Final Conditions frame.

      Here the values of Final Conditions <A> are changed from
      '0.6 0.7 0.05' (i.e. 0.6, 0.65 0.7 - 3 calculations)
      to
      '0.6 0.7 0.01' (i.e. 0.6, 0.61 ... 0.7 - 11 calculations).

      When done click 'Calculate >>'.

      The Equilib Results Window displays the output for the 11 calculations.

      Here the equilibrium is for <A> = 0.66 (page 7/11) where the adiabatic temperature is 2783.15oC.

      Notes:
      The option to select 'Final Conditions > Calculate >>' is programmed for expert users - it is a rapid short-cut to calculate the Equilibrium.

      There are no warning messages for illogical entries. For example, specifying negative temperatures or pressures will simply lead to aborted results.


    • Tagging negative volumes - Equilib Results Window





      Sometimes a calculation results in a negative volume.

      The result is clearly incorrect but it may not be so evident since the volume values are buried within the output.

      In FactSage 7.3 you now receive a Warning! and the negative volumes are displayed in red.


    • Manipulating results spreadsheets - Equilib Results Window

      The following options are not new in FactSage 7.3 but they have been poorly documented. Many users are unaware of the options that are available.

      The screenshot shows the Equilib Menu Window for example 14.1 taken from the Equilib Slide Show I - Regular Features.

      To load the example click 'File > Directories > Equilib Slide Show I ...> Slide 14-1 - Non-ideal solution ...'.

      The Reactants are:

        (gram) 100 Fe + Si + Mn + 10 C

      The Products are:

        pure solids; FeLQ solution phase

      The Final Conditions are

        T(C) = 1600 1700 10 (i.e. 1600 1610 ...1700 - 11 values)
        P = 1 atm

      There will be 11 calculations.

      In the Equilib Results Window there are 11 pages of results.

      The Output frame is displayed by clicking
      'Output > Save or Print > Save or Print As ...

      The Type of Output display shows various options.

      Option Open Text Spreadsheet is selected

      Click Spreadsheet setup ...


      In the Spreadsheet Setup you define two types of properties:

      System Properties

      1. Select the number of Property columns (for example 2)

      2. Point to a column (for example column 2) and mouse-right-click to activate the System Properties menu

      3. Select a system property (for example T(C))

      Repeat for each column.


      Species Properties

      These are selected in an analogous manner - for example column 1 is Wt%.

      When finished click 'Species' for the Spreadsheet - Equilib.

      Spreadsheet - Equilib - Case I

      Here 3 species (C Mn S) in FeLQ have been selected by clicking on the '+' column. The resulting Equilib Results spreadsheet displays the Page, T(C) and WT% for each species.

      Spreadsheet - Equilib - Case II

      Here the same 3 species in FeLQ have been selected but different properties have been assigned by mouse-right-clicking on the '+' column. The resulting Equilib Results spreadsheet displays the Page, T(C) and WT% for C, grams and activity of Mn, and mole and grams of S.


  • Macro Processing


  • Phase Diagram

    • What's New in Phase Diagram - 'Phase Diagram > Components Window > Help > What's New in Phase Diagram ...'

      The new link What's New in Phase Diagram gives a summary of the more important programming changes in Phase Diagram that have appeared since FactSage 6.1 (2009).

    • Phase Diagram Slide Show

      The slide show has been updated.

      The slides which have been either modified or added are 13.5, 15.1, 19.1 (bibliographic references inserted), 19.38 and 19.39 (to show how to re-plot aqueous diagrams in Eh-pH coordinates) and Appendix 4.4 which was supposed to be included in FactSage 7.2 but was not.


    • Scheil-Gulliver constituent diagrams - Phase Diagram Components Window

      In Scheil-Gulliver constituent diagrams the two options of FactSage 7.2
         ZPF: zero phase fraction lines, and
         ZCF: zero constituent fraction lines
      have been dropped for a simplified single option as shown.


    • Selection of solution phase - changing [J] to [I], [I] to [+]

      The image shows the solution phase selection in the Ni-Zn system with data taken from FTlite.

      There are four 2-phase immiscibility [I] and two 3-phase immiscibility [J] selections for a total of 14 solution phases with 28 species.

      In FactSage 7.3 it is possible to change all 3-phase immiscibility [J] to 2-phase immiscibility [I] selections by clicking Select as shown.

      The result is six 2-phase immiscibility [I] selections for a total of 12 solution phases with 24 species.

      In addition you can to change all 2-phase immiscibility [I] to single phase [+] selections.

      The result (not shown here) is 6 single phases [+] with 12 species.

    • Transitions

      In temperature versus composition phase diagrams a new option for phase diagram transitions has been added to the phase equilibrium mode.

      The figure below is the classical T(K) vs X(Sn) binary phase diagram for Cu-Sn using data from FTlite.

      After selecting the phase equilibrium mode , and clicking on the figure, you enter the temperature and composition in the usual manner. In FactSage 7.3 you now have the option to calculate all phase diagram transitions at the defined composition.

      In the above example the Show Results Window posts all the calculated transitions at X(Sn) = 0.3. For example, the results at page 7 correspond to the liquidus temperature and composition (984.4 K, X(Sn) = 0.3) .

    • List of Stable Phases

      During the calculation the Status Window appears and displays information on the Stable Phases. Sometimes this happens before the diagram has been completely calculated. Uncheck the 'status' check box (see 'Phase Diagram > Menu Window > Parameters') if you want to hide the Status Window until after the calculation is finished.

      In FactSage 7.3 the information on the Stable Phases has been enhanced, particularly with respect to the compounds (pure substances PS)

      This is shown in the screenshots for the calculated Mn-Si binary phase diagram with data taken from FTlite,


      FactSage 7.2


      FactSage 7.3

    • Phase Diagram Manipulate and Refresh Window

      The Phase Diagram Manipulate and Refresh Window was first introduced in FactSage 7.2.

      For complete details click Phase Diagram Manipulate and Refresh Window.

      The screenshot shows how to activate the Manipulate and Refresh Window via the Parameters Window ('Phase Diagram > Menu Window > Parameters')

      The Phase Diagram Manipulate and Refresh Window is a popular application that offers a variety of editing and plotting options depending upon the type of calculated phase diagram. It is displayed right after the phase diagram has been calculated.

      The Window offers 4 categories for manipulating the calculated phase diagram:

      • General
      • Polythermal projection
      • Tie lines
      • Aqueous diagram

      Note - when you display a stored phase diagram, e.g. show the figure calculated last time - most of the categories (except 'labels - old') are not available.

    • General

      • labels - old - this is new in FactSage 7.3

        When loading a previously stored system, you can show the figure calculated last time. The program displays the calculated phase diagram including any labels that have been added manually. These labels are now stored in memory. If you return to the Menu Window, make changes to the phase selections, axes limits, etc. and recalculate the diagram, the new figure will not have any labels. By clicking labels - old the labels that were stored in memory are posted.

    • Aqueous diagram

        These options only apply to aqueous diagrams.

      • iso-Eh - plots iso-Eh(volts) on the aqueous diagrams. The step in Eh and the limits min. and max. can be redefined in the text boxes.

      • iso-pH - plots iso-pH lines on the aqueous diagrams. The step in pH and the limits min. and max. can be redefined in the text boxes.

        Min. and max. are new in FactSage 7.3. These text boxes mean that you are no longer obliged to always the plot the (time-consuming) iso-Eh and iso-pH lines. These lines can simply be added afterwards whenever needed.


  • OptiSage - has not been updated from 7.1


  • Viscosity - has not been updated from 7.2


    3. Databases:


       In the FactSage Main Menu click 'Documentation' for detailed information on the public compound and solution databases.


  • Thermo-Calc TDB databases - converting to FactSage databases

      GTT-Technologies have developed a new utility in FactSage 7.3 for those users who have TDB files that conform to the Thermo-Calc Database (TDB) Format.

      You are able to convert most private TDB files into FactSage format. You must not convert any commercial database that is protected by copyright.

      The TDB file must be stored in the folder \TDB (typically c:\FactSage\TDB). The converted TDB file may produce both compound data and solution data. In FactSage such data are stored in separate files.

      To activate the TDB conversion go to the Equilb Reactants Window.

      1. Click 'File > TDB files > Convert TDB to FactSage format ...' and open the TDB file you wish to convert, for example FeSO.TDB.

      2. You are requested to enter a four-character alphanumeric nickname, for example FESO (SUL1, 9598 etc.). This will identify the resulting FactSage databases:

        - compound database FESOBASE (SUL1BASE, 9598BASE), and
        - solution database FESOSOLN (SUL1SOLN, 9598SOLN).

      3. After conversion you are presented with the status of the new compound and solution databases. You should review the conversion process by clicking 'View Messages' to check for necessary changes and error messages both for failed and successful conversions.

      4. After a successful conversion you can enter one line of description for each database. The description will appear in the FactSage programs as 'info' or a 'tip' for that particular database.

      The new databases will be stored in the \TDB folder. In order to include the new databases in FactSage calculations you must first add them to the 'List of Databases'. Click on the 'Data Search' menu bar to open the 'Data Search Window'. To add a database to the List click 'Add/Remove .. > ADD ..' and follow the instructions. When finished the resulting database checkbox and four-character database name will appear under 'Private Databases'. The color red denotes the databases were created by converting (or translating) a TDB (or ChemSage) file.

      In the 'Data Search Window' click on the database checkbox in order to include or exclude that database in the data search.

      You can move or copy the databases to a new location (folder) on your computer or any other computer with the same FactSage user ID. In such a case you only need to copy the 3 files - *base.cdb, *soln.sln and *soln.fdb (note: the solution database has 2 files). No other files are required (i.e. no need to copy *base.iw0, *base.iw1, *soln.bdx, *soln.iw0, *soln.iw1).


  • ELEM - the FACT Elements Database

    • ELEM is the database of elements using data from FactPS (see next).

    • When using the FactPS or SGPS compound database there is no need to select the ELEM database ('Data Search') in your calculations.

    • The only time you may need to select ELEM is if the elements are missing from your selected compound databases.


  • FactPS (formally Fact53) - the FACT Pure Substances Compound Database

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

    • The following new compounds have been added:

        BaClF, BaMgF4, CaBeF4, CaCrO4, Co(NO3)2, CrAl2Cl8, Cr(CrO4), CrSO4, Cs2C2, CuS2, KCrO2, KFeO2, K2C2, K2S2, K2S3, K2S4, K2S5, K2S6, LiBaF3, Li2CrO4, Li16BaSrF20, LuF3, MgCrO4, NH4OH, NaFeF3, NaNiF3, Na2NiCl4, Na2S4, Na2S5, Pb(NO3)2, Rb2C2, SmF3, SrCrO4, SrFCl, SrMgF4, TbF3, TiAl2Cl8, VF2, and YbF3.

    • As well, data for kaolinite (Al2O3)(SiO2)2(H2O)2, boehmite and diaspore AlO(OH), and for the following compounds taken from the US Geological Survey Bulletin of 1995 have been added:

        Be4Si2O7(OH)2, BeAlSiO4(OH), Cu7S4, Cu9S5, CuSbS2, Ca2Al2SiO6(OH)2, Ca4Al6Si6O24CO3, Ca5(SiO4)2CO3, Ca5Si2O7(CO3)2, Ca5(PO4)3F, CaCO3(MgCO3)3, K2Mg2(SO4)3, KAl3(OH)6(SO4)2, FeSb2S4, LiAlSi4O10, (MgCO3)Mg(OH)2(H2O)3, Mn7SiO12, (Na2O)(Al2O3)(SiO2)3(H2O)2, Na2B4O7(H2O)10 and Na2CO3(H2O)

    • Data for the following compounds have been updated:

        AgF, Ag2CO3, Ag2O, Ag2SO4, BaCO3, BaF2, Ba(NO3)2, BeBr2, BeF2, BeSO4, CaCO3, CaCl2, Ca(NO3)2, CaSO4, CeCl3, CoBr2, CoI2, Cr(OH)2, Cr2(CrO4)3, Cr2(SO4)3, CsBr, CsH, CsI, Cs2CO3, Cs2O, CuBr2, CuCl2, CuF, CuF2, CuO, DyF3, EuF3, FeF2, HoF3, KAlCl4, KBr, KCaCl3, KCaF3, KCl, KFeCl4, KI, KLiCO3, KMgCl3, KMgF3, KNO3, K2FeCl4, K2MgF4, K2ZnCl4, K3F(SO4), LiCoCl3, LiRbCl2, Li2C2, Li2CoCl4, Li2FeCl4, Li2O2, Li4CoCl6, Li6FeCl8, Li6NiCl8, MgCO3, MgF2, MgSO4, MnS2, NaF, NaMgF3, Na2CoCl4, Na2S, Na2SO3, Na2SO4, Na3F(SO4), NiBr2, NiF2, NiI2, PbSO4, RbBr, RbCl, RbI, S, SrCO3, Sr(NO3)2, ThF4, TiCl2, TiCl3, TiF2, UF4, VCl3, and ZnI2.

    • Data for the following compounds were found to be in error and have been corrected:

        CeAu, Rb4UO5, (PbO)4(PbSO4), Nd2(C2O4)3(H2O)10, Fe3P, Th, ZrTe2

    • The following compounds have been removed from FactPS either because of duplication or mislabelling or because the data were judged unreliable:

        Fe7Si8O22(OH)2, CuBr3, MgSO4(H2O)6, Li2Fe2O4, Pb2S2, Li2Al2Si2O8

    • FactPS 7.3 now contains 4920 compounds (was 4869) and 7036 phases (was 6912).


  • SGPS - the SGTE Pure Substances Compound Database

    • SGPS has been updated by converting the latest SGTE database (SGSUB-2017) to FactSage format.

    • additions include 164 substances taken from FactPS and 34 substances taken from M.D. Allendorf et al., J. Phys. Chem., 1992, 96(1), 428. In addition data for Al(g) and Al2O(g) have been replaced with data from Janaf 98.

    • SGPS 7.3 now contains 3927 compounds (was 3842) and 5877 phases (was 5753).


  • FTdemo - the FACT Demonstration Database

    • 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 - the FACT Al-alloy and Mg-alloy Database - formally known as the FACT Light Metal Alloy Database
      FTlite 7.3 is a major update and restructure of the FACT light metal database.

      It is primarily designed for thermodynamic and phase equilibrium calculations involving Al alloys and Mg alloys. Calculations involving Ti alloys and Li-Na-K-Mg-Ca-Sr-Ba mixtures can also be performed but not to the extent as for Al- and Mg-alloys.

    • Composition Ranges

      The database is intended to allow calculations over all ranges of composition, although the assessed data are often most reliable for light metal rich composition ranges (Al-rich and Mg-rich compositions). The database can be used for Al alloys in the commercial series 1000, 2000, 3000, 4000, 5000, 6000 and 7000, and for a wide range cast alloys.

      The table gives the list of optimized binary subsystems with the red, blue and green elements given above.

    • Temperature Ranges

      The database is generally valid for the temperature range of approximately room temperature to 2200oC, although for some alloys containing high melting point metals the data are reliable to still higher temperatures.

    • Evaluated Systems

      A total of 855 binary systems (was 781 in 7.2) have been evaluated, for most of them over the entire range of composition and for all stable phases.

      A matrix of assessed binary systems is given in the spreadsheet shown here for the major and minor alloying elements of Al- and Mg-alloys.

      Several dozens of ternary systems have been assessed, and important quaternary systems have also been evaluated.


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    • Solutions and Compounds

      FTlite 7.3 contains 256 solution phases (was 200 in 7.2) and 1703 pure compounds (was 1400 in 7.2) with 2104 stoichiometric phases including allotropic forms.

      Extensive and detailed Tables listing the important solutions for calculations involving Al alloys, for solutions in Mg-alloys, and a detailed list of all solutions are given in the documentation (78 pages total!)


  • FToxid - the FACT Oxide Database
    • MnO and Mn2O3

      Mn2O3 has been added to the CaO-MgO-Al2O3-SiO2-FeO-Fe2O3-MnO system based on several optimized binary and ternary subsystems. MnO-B2O3 has also been optimized. In particular Mn3+ is added to the slag and spinel phases. 18 new stoichiometric compounds have been added to the database.

    • K2O

      The most important binary and ternary K2O-containing systems have been optimized to add K2O to the Na2O-CaO-MgO-Al2O3-SiO2 system. 22 new stoichiometric compounds have been added to the database and a few more have been revised.

    • F

      F is added to the general slag phase. Liquid oxide components can be combined now with both fluorides and sulfides. The database is most accurate when the major slag components are CaO, MgO, Na2O, Al2O3 and SiO2. The distributions of Fe and Cr between liquid metal and oxyfluoride slag are also well reproduced. Normally, the total amount of fluorides and sulfides in the slag should be kept below 50%, even though for certain subsystems the composition can extend to pure fluorides and sulfides.


  • FTsalt - the FACT Salt Database

      The new FTsalt 7.3 database has been completely restructured, resulting in a more accurate description for many of the solid solutions.

    • The structure, the Pearson notation and the space group are now displayed for all the solid compounds and solid solutions.

    • Most solid solutions have been modified. In the previous FTsalt database, the Rocksalt-FCC-B1 solid solution (i.e. NaCl-KCl-RbCl…NaF-LiF…NaOH…) was divided into many differently named solution models without common intersolubility. Now in FTsalt 7.3 all the rocksalt solutions are merged into one FCC-B1 solution (rocksalt), which includes hydrides, fluorides, chlorides, bromides, iodides, acetylides, hydroxides and nitrates (with several oxides) of Li, Na, K, Rb, Cs, with solubilities of Mg, Ca, Sr and Ba. The minor solubility of the transition metals and Ag have also been added to the rocksalt solution.

    • Similar efforts have been made in merging solid solutions of the BCC-B2 CsCl structure, sphalerite (B3) and wurtzite (B4).

    • The fluoride CaF2-FCC-C1 solid solution now includes Mg, Ca, Sr and Ba salts (fluorides, chlorides, hydrides, and oxides).

    • A new antifluorite solution has been added with Li, Na, K, Rb, Cs, Ag, Cu as cations, and O, S and C2 as anions.

    • Several MX2 solid solutions have also been added (Strukturbericht C4, C5, C6, C7, C21, C23 and C35).

    • The single perovskite phase PRVK of the type AMX3 (A = alkali cation; M = divalent cation; X = Cl, F), existing in the previous database, has been replaced by four different perovskite phases : E21_ (cubic), oP20 (orthorhombic), hR30 (NaMgCl3 - ilmenite), and hP30 (hexagonal).

    • The Sr and Ba cations have been added to the previous list Li, Na, K, Mg, Ca // Cl, F. That is, the SrF2- and BaF2-containing fluoride sub-systems have been optimized along with the Sr-containing chloro-fluoride reciprocal sub-systems. Currently, the Ba-containing reciprocal sub-systems are only predicted from the model parameters for the common-ion binary sub-systems.

    • Several systems not included in the current lists of constituents (but accessible through the “?” solutions) have been evaluated/optimized based on the available phase diagram data from the literature or on chemically similar systems for which data were available (when data were lacking).

    • New lists of constituents will be added in the future.

    • The total number of stored phase diagrams is now 338 (was 284 in 7.2). All the diagrams have been recalculated using the FTsalt 7.3 database.


  • FScopp - the FactSage Copper Alloy Database

      FScopp 7.3 is a major update of the FactSage Copper Alloy Database.

      Elements Ba+Sr+Ce+Nd+Pr+Sm+Y have been removed from the old database and H+Hg+W have been added. The elements removed were not commonly found in Cu alloys, whereas the ones added are more important for Cu alloys and their treatments.

      The new FScopp 7.3 database now contains 40 elements:

        Ag, Al, As, Au, Be, Bi, C, Ca, Cd, Co, Cr, Cu, Fe, Ga, Ge, H, Hg, In, Li, Mg, Mn, Nb, Nd, Ni, O, P, Pb, Pd, Pt, Pr, S, Sb, Se, Si, Sn, Te, Ti, Tl, W, V, Zn, Zr.

      In the old database there were 37 fully assessed binary systems and 134 partially assessed binary systems for a total of 171 binary systems. In the new FScopp 7.3 database, there are now 322 fully assessed binary systems and 89 partially assessed binary systems for a total of 411 binary systems. The assessed binary systems are now fully in agreement with their respective systems in the FSlead 7.3 and FTlite 7.3 databases (7.3).

      A spreadsheet listing all the FScopp 7.3 binary assessments has been prepared that summarises the quality of the evaluations (top, good or poor).

      The spreadsheet is new in FactSage 7.3 and is accessible via the Documentation module and View Data module - for details see SpMCBN below.


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      More than a third of the assessed systems have the modeling of the Gibbs energy of their liquid phase represented by the Modified Quasichemical Model in the Pair Approximation (MQMPA) which takes into account the short-range-order between species (i.e. Cu-Fe-S, Ag-Te, etc.), while the older database simply used a Bragg-Williams approach (i.e. random mixing). This is a major upgrade of the database.


  • FSlead - the FactSage Lead Alloy Database

      FSlead 7.3 is a major update of the FactSage Lead Alloy Database.

      Elements Al+Ge+Mn+Pd+Si+Zr have been removed from the old database and Ba+H have been added.

      The new FSlead 7.3 database now contains 25 elements:

        Ag, As, Au, Ba, Bi, C, Ca, Cd, Cu, Fe, Ga, H, Hg, In, Ni, O, Pb, S, Sb, Se, Sn, Sr, Te, Tl, Zn

      In the old database there were 26 fully assessed binary systems and 31 partially assessed binary systems for a total of 57 binary systems.


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      In the new FSlead database, there are 161 fully assessed binary systems . The assessed binary systems are now fully in agreement with their respective systems in the FScopp 7.3 and FTlite 7.3 databases.

      A spreadsheet listing all the FSlead 7.3 binary assessments has been prepared that summarises the quality of the evaluations (top, good or poor).

      The spreadsheet is new in FactSage 7.3 and is accessible via the Documentation module and View Data module - for details see SpMCBN below.

      More than a third of the assessed systems have the modeling of the Gibbs energy of their liquid phase represented by the Modified Quasichemical Model in the Pair Approximation (MQMPA) which takes into account the short-range-order between species (i.e. Pb-Zn-S, Ag-Te, etc.), while the older database simply used a Bragg-Williams approach (i.e. random mixing). This is a major upgrade of the database.


  • FSstel - the FactSage Steel Alloy Database

      FSstel 7.3 is a major update of the FactSage Steel Alloy Database.

      The FSstel 7.3 database contains 31 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, Ti, V, W, Zn, Zr

      The number of optimized binary systems has been increased to 205 systems (was 140 in 7.2). Many ternary and high order systems have been re-optimized and new systems optimized. The number of stoichiometric compounds has been increased to 437 phases (was 306 in 7.2).

      The liquid phase is now described by the Modified Quasichemical Model (MQM). Within this model, many previous optimizations by random mixing model and new optimizations by MQM have been integrated to give more accurate description of the liquid solution in binary, ternary and higher order systems. The deoxidation and desulfurization behavior of liquid steel are well described in this model. For the accurate description of deoxidation of Fe-Ca and Fe-Mg liquid solution, CaO and MgO associate species have been incorporated into the liquid phase.


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      The following systems have been completely re-assessed to reproduce recent experimental data for high alloyed steels and other steel systems:

    • Al-C-Fe-Mn-Si - entire binary, ternary and quaternary systems - for high Mn, Si, Al alloyed steel.

    • Al-C-Fe-Mn-Si-N - all binary and ternary systems, and several quaternary systems containing N - for high N containing systems.

    • Al-C-Cr-Fe-Mn-Ni-Si-P - all binary and ternary systems, and several quaternary systems containing P - for high P containing systems.

    • Fe-Ni-Cr-Co-Cu-S - entire range of sulfur containing systems - for high S containing system.

    • Al-Co-Cr-Fe-Ni-Ti - all binary systems containing FCC and BCC order/disorder transitions, and several key ternary systems including the Fe-Al-Ni system - for BCC-B2 containing high strength steel.

    • Al-Fe-Zn-Mg-Si - all binary systems and key ternary systems - for Zn galvanizing and new galvanizing alloy systems.

    • Al-Cr-Cu-Fe-Mg-Mn-Si - entire binary, ternary and high order systems.


  • SGTE - the SGTE 2014 and SGTE 2017 alloy databases

      Data for the S1 phases of the pure elements Fe, Co, Ni, Cr, Mn, Gd and Dy in the SGTE 2014 and SGTE 2017 compound (pure substances) databases (not to be confused with the SGPS database) are in error. These errors have been corrected in FactSage 7.3.

      Note that data for the corresponding SGTE 2014 and SGTE 2017 solution phases are not in error.


  • SGnucl - the SGTE Nuclear Database

      SGnucl is no longer supported by SGTE and has been dropped from FactSage 7.3


  • SGnobl - the noble metal alloy database co-developed by The Spencer Group and GTT-Technologies

      Many minor improvements have been made including:

      - Si in the solution phase DIAMOND_A4 now has the same stability as in Si(s)(diamond_a4)
      - the solubility of Au in Ge (DIAMOND_A4) is now in accordance with SGTE 2017
      - RHOMBOHEDRAL_A7: As,Bi and Sb now have the same stabilities as in their pure stable states
      - the end member Au2Bi in Au2Bi_C15 and Au2Bi(s) now have the same stability
      - the elements Ba and Ca have been added to the BCC_A2 solution phase and Ca has been added to the FCC_A1 solution phase as well
      - for the systems Ba-Ru and Ca-Ru an artificial phase stability of the BCC_A2 phase has been corrected. The same has been done for CUB1 (CUB_A13) in the Ag-Co system.
      - Two new solution phases have been introduced: BETA_RHOMBO_B corresponding to B(s) with solubility for Mn (in accordance with SGTE2017), GRAPHITE, pure C with solubility for B (in accordance with SGTE2017).

      There is an important major improvement:

      - the calculated phase diagram no longer depends on the inclusion/exclusion of the pure elements in the phase selection. Calculation with both solution phases and pure elements selected leads to the same result as calculating with only the solution phases selected.


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    A spreadsheet listing all the SGnobl 7.3 binary assessments has been prepared.

    The spreadsheet is new in FactSage 7.3 and is accessible via the Documentation module and View Data module - for details see SpMCBN below.


  • SpMCBN - the Spencer Group SpMCBN database for non-oxide refractory carbides, borides, nitrides and silicides.

      SpMCBN contains assessed thermodynamic parameters for binary and ternary alloys of high-temperature materials containing carbon, nitrogen, boron, and silicon. The alloys include 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 and Me-B-Si systems.

      The database has been updated and new ternary refractory metal Me1-Me2-Me3 systems have also been added. The lists of the new and revised binary and ternary systems are as follows:

    • Binary systems

        C-Ca, Mn-Si


      A spreadsheet listing all the SpMCBN 7.3 binary assessments has been prepared that summarises the quality of the evaluations (top, good or poor).

      The spreadsheet is new in FactSage 7.3 and is accessible via the Documentation module:
      'Documentation > [SpMCBN] > Spreadsheet of binary assessments ...'

      It is also available in the View Data module:
      'View Data > Data compound > SpMCBN > Elements: ALL > Assessments ...'


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    • Ternary systems

        B-C-Fe, B-N-Al, B-N-Mn, B-N-Re, B-N-Sc, B-Si-Mn, C-N-Si, C-Si-Mn, N-Si-Mn, N-Si-Re, N-Si-Sc, Co-Cr-Re, Cr-Mo-Nb, Cr-Mo-Ni, Cr-Mo-Ta, Cr-Mo-Ti, Cr-Mo-V, Cr-Mo-Zr, Cr-Nb-Ta, Cr-Nb-Ti, Cr-Nb-Zr, Cr-Ni-Re, Cr-Ni-Ti, Cr-Re-Ta, Cr-Ta-Ti, Cr-Ta-V, Cr-Ta-W, Cr-Ta-Zr, Cr-Ti-Zr, Cr-V-W


  • Public Databases

      Screenshot showing the summary of public databases in FactSage 7.3.

  • FactPS, ELEM and SGPS are compounds-only (pure substances) databases.

  • FactPS, FToxid, FTsalt, FTmisc, FTOxCN, FTfrtz, FThelg, FTpulp ELEM and FTdemo are included in the FACT package of databases. FTlite and FTnucl are special databases that are leased separately.

  • FactPS, FToxid, FTsalt, FTlite, FScopp, FSlead, FSstel, SGPS, SGnobl and SpMCBN have been updated in FactSage 7.3.

  • FTnucl and SpMCBN first appeared in FactSage 7.0.

  • FSlite, FSnobl and SGSL were dropped in FactSage 7.0 and SGnucl has been dropped from FactSage 7.3

  • For detailed database information go to the FactSage Main Menu and click Documentation.




  • 4. Previous FactSage Versions


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