Thermo-Calc 2022a Available Now

Thermo-Calc 2022a is released December 2021 and includes our first ever databases for zirconium and permanent magnetic materials, a new Material to Material Calculator, a Nickel Model Library, and much more. 

Update Released

An update to Thermo-Calc 2022a was released on January 18, 2022 and a second on January 19, 2022. If you installed Thermo-Calc 2022a before January 19, you are encouraged to update your software as these updates includes critical bug fixes.

You can check whether you are running the most recent version by opening Thermo-Calc and navigating to the Help menu > About. You should be running version 2022.1.95234-411.

New Material to Material Calculator

A Material to Material Calculator has been added to Thermo-Calc, which allows you to perform calculations that examine how materials transition from one into the other. The calculator can be applied in any situation where different materials are in contact with each other and will react significantly, usually at high temperatures, or in instances where they will gradually transition into each other by design. 

transition-of-phases-for-Fe-Cr-Ni-alloy-from-one-composition-to-another-at-650-degrees-C

The plot shows the gradual transition from a martensitic stainless steel on the left to Alloy 800 on the right at 650 °C, calculated using the new Material to Material Calculator. Neither material is expected to form any detrimental phase on its own at this temperature. However, we can see that within the transition zone of these two materials, the detrimental sigma phase can potentially occur (red line).

Typical applications of the Material to Material Calculator include: 
  • Graded materials produced by additive manufacturing or other methods
  • Non-similar material joints, such as welds of titanium with nickel-based superalloys
  • Reaction of two materials, for instance, the influence of volcanic ash on a turbine component in an engine
  • And more...

One new example is included in the software demonstrating this new calculator, T_14_Fe-Cr-Ni_Material_to_Material

A companion video is also available showing how to set up this example and discussing the results. 

Learn more about the Material to Material Calculator

Grain Growth with Particle Pinning Added to TC-PRISMA

A new model has been added to the Precipitation Module (TC-PRISMA) that allows users to calculate normal grain growth with particle pinning, also known as Zener pinning. The new model calculates the temporal evolution of grain size distribution. The grains are assumed to be of spherical morphology and nucleation is not considered. 

results-comparing-the-ferrite-mean-grain-radius-with-and-without-pinning-for-the-BCC-A2 phase-and-compared-to-experimental-data-from-1975-Hel

This plot compares the ferrite mean grain radius with and without pinning for the BCC-A2 phase of an Fe-0.2C weight percent alloy at 722 °C. As can be seen in the plot, the pinning effect of the precipitate particles inhibits the grain boundary motion so that the overall grain size is reduced significantly.

A new example is included in this release demonstrating this new model: P_14_Precipitation_Fe-C-Ferrite-Grain_Growth_with_Zener_Pinning

A companion video is also available that shows how to set up this example and discusses the results. 

New Nickel Model Library

Thermo-Calc 2022a introduces a Nickel Model Library – a package of pre-built Property Models that allow for easy set up of some of the most common calculations used by those working with Nickel-base alloys.

Three Property Models are included in the new Nickel Model Library:

  • Anti-phase Boundary Energy (APB) calculates the antiphase boundary energy for Ni-base alloys with gamma prime (γ') as the precipitate phase
  • Coarsening calculates the coarsening rate coefficient of one or several precipitate phases in a matrix phase, assuming spherical geometry of the precipitating phase(s)
  • Equilibrium with Freeze-in Temperature calculates equilibrium at the freeze-in temperature and evaluates the properties at a different temperature
lattice-parameters-for-gamma-and-gamma-prime-of-Ni-0

The plot shows the lattice parameters for gamma and gamma prime plotted against experimental data from Nathal et al. It is a one axis calculation of a Ni0.6Mo0.92Ta12.5Al1.83Ti10.5Cr3.3W alloy evaluated with a range of 20 °C to 1000 °C using the Equilibrium with Freeze-in Temperature Nickel Property Model in Thermo-Calc. The freeze-in temperature is set to 1000 °C.

The new Nickel Model Library is available for free to all users who have a license for the nickel databases TCNI11 and MOBNI5 and have a valid Maintenance and Support Subscription.

This release includes two examples to help users get started with the new models:

  • PM_Ni_01_Lattice_Parameter_of_Gamma_Gamma_Prime.tcu
  • PM_Ni_02_Antiphase_Boundary_Energy_of_Gamma_Prime.tcu

Learn more about the Nickel Model Library

Scheil Improvements

Several improvements have been made to the Scheil calculator for this release: 

  • Global minimization is now turned on by default for all Scheil simulations
  • There is now a way to control the global test interval, which is set to every tenth step by default
  • A new setting has been added that allows users to start the calculation from the start temperature, so results will be included from the liquid phase above liquidus
  • Scheil calculations can now be performed without the equilibrium solidification line
  • Several improvements have been made to plotting, such as the ability to tabulate density

Console Command History Improved

A new feature has been added to the Console Mode that allows users to copy their command history to the clipboard or save commands to a .tcm file, even after the program has crashed. This new feature ensures that your information is always saved, so you can access all entered commands – for each console session – even if you don’t record them from the beginning of your work. Additionally, if the program crashes, you will be given the opportunity to copy or save your work. 

console-command-history-improvements_3750x936

A new feature has been added to the Console Mode that allows users to copy their command history to the clipboard or save commands to a .tcm file (left), even after the program has crashed (right).

Several Quantities Now Available for Plotting and Tabulating

Several quantities in Thermo-Calc are now available for plotting and tabulating in the Graphical Mode. Previously, these quantities had to be entered as specific functions in the Functions tab, but they can now be accessed easily from a drop down menu in the function tab of the Equilibrium Calculator, and from many table and plot renderers. The newly included quantities are:

  • Bohr magneton number
  • Curie temperature
  • Density
  • Heat capacity
  • Isothermal compressibility for the system
  • Phase stability function
  • Thermal expansivity for the system
  • Volume fraction of phase
Thermo-Calc-quantities-now-available-for-plotting-and-tabulating_1703x917

Several quantities in Thermo-Calc are now available for plotting and tabulating in the Graphical Mode, such as Bohr magneton number, Curie temperature, and density, as shown above. 

Fourteen New and Updated Database

The 2022a release includes eight new and six updated databases, including the introduction of our first ever databases for zirconium and permanent magnetic materials.

Our database development also continues to focus on adding new thermophysical properties to all databases.

New Databases

TCPMAG1: Permanent Magnetic Materials Database

The Permanent Magnetic Materials Database (TCPMAG1) is a completely new thermodynamic and properties database. TCPMAG1 includes:

  • 6 elements: B, Ce, Fe, La, Nd, and Pr
  • 15 binary systems
  • 11 ternary systems
  • 19 phases

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

  • Molar volume of all solid phases and liquid
  • Viscosity of liquid
  • Surface tension of liquid

TCZR1: Zr-based Alloys Database

TCZR1 is a completely new thermodynamic and properties database for zirconium-based alloys. It can be used for a wide range of compositions from pure zirconium to very complex zirconium-based commercial zirconium alloys. TCZR1 includes:

  • 8 elements: Cr, Fe, H, Nb, Ni, O, Sn, and Zr
  • 28 binary systems
  • 19 ternary systems
  • 69 phases

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

  • Molar volume of all solid phases and liquid
  • Viscosity of liquid
  • Surface tension of liquid

MOBNOBL1: Noble Metal Alloys Mobility Database

This new kinetic database can be used for the atomic mobility descriptions of Ag-Au-Cu-Pd-Pt based alloys for the fcc and liquid phases. It is compatible and developed to be used with TCS Noble Metal Alloys Database (TCNOBL1). MOBNOBL1 includes:

  • 21 elements: Ag, Au, Cu, Pd, Pt, Al, Co, Cr, Fe, Ga, Ge, In, Ir, Mn, Ni, Re, Rh, Ru, Sn, Ti, and Zn
  • 90 binary systems and 3 ternary systems for FCC phase
  • 90 binary systems for liquid phase

TCFE12: Steel and Fe-alloys Database

  • Adds tin (Sn) and the related 26 binary and 13 ternary systems
  • Adds electrical resistivity for crystalline phases and liquid
  • Adds thermal conductivity for crystalline phases and liquid
  • Updated zinc corner
  • Unified several phases with the same crystallography
  • Corrected the low melting pseudobinary in Fe-O-Si
  • Extended the ternary phosphide: FEMP_C37 (Co, Cr, Fe, Nb, Ni, Ti, V, W)1(Co, Cr, Fe, Nb, NI, Ti, V, W)1P1
  • Revised C-Ca and estimated C-Ca-Fe

MOBFE7: Steel and Fe-alloys Mobility Database

  • Adds tin (Sn) in BCC, FCC, and liquid phases

TCTI4: Titanium and TiAl-based Alloys Database

  • Adds electrical resistivity data
  • Adds thermal conductivity data
  • Assessed two new ternaries: Ti-Al-Ni and Ti-Cu-Ni
  • Updated volume descriptions for α2 and γ phases
  • Updated description of BCC_A2 in Mo-V and Mo-Ti-V systems

MOBAL7: Aluminum-alloys Mobility Database

  • Adds five elements to the FCC and liquid phases: Nd, Pr, S, Se, Te

SSOL8: SGTE Solutions Database

  • Adds one new ternary system: B-Mo-Ti
  • Adds 101 new binary systems
  • Adds 312 new phases
  • Adds Boron (B) to the gas phase

Updated Databases

TCMG6.2: Magnesium-based Alloys Database

The magnesium-based alloys database was updated to version TCMG6.2. Users who have a license for TCMG6 and a valid Maintenance and Support Subscription receive this upgrade for free.

  • Improvements to thermal resistivity
  • Improvements to electrical resistivity
  • Updated molar volume and thermal expansion coefficient of DHCP and liquid for praseodymium (Pr)

TCSLD4.1: Solder Alloy Solutions Database

The solder alloy solutions database was updated to version TCSLD4.1. Users who have a license for TCSLD4 and a valid Maintenance and Support Subscription receive this upgrade for free.

  • Sn-Bi binary system re-assessed
  • Improvements to lattice stability
  • Improvements to viscosity and surface tension parameters
  • Improvements to volume parameters

TCHEA5.1: High Entropy Alloys Database

The high entropy alloys database was updated to version TCHEA5.1. Users who have a license for TCHEA5 and a valid Maintenance and Support Subscription receive this upgrade for free.

  • Improvements to BCC phase descriptions of the Al-Cr-Nb-Ti-V-Zr system
  • Improvements to the MC carbide description of the (Hf, Nb, Ta, Ti, V, Zr)C system
  • Minor bug fixes for ternary-related calculation of the Al-Fe-W, Al-Hf-Nb, Al-Mo-Nb, and Al-Mo-Ni systems

TCAL8.1: Aluminum-based Alloys Database

The aluminum-based alloys database was updated to version TCAL8.1. Users who have a license for TCHEA8 and a valid Maintenance and Support Subscription receive this upgrade for free.

  • Updates to the surface tension, viscosity, and volume data for liquid
  • Adds SURF/VISC parameters to all assessed binaries
  • Improvements to electrical resistivity and thermal conductivity
  • Improvements to molar volume and thermal expansivity for praseodymium (Pr)
  • Modeling of the Y solubility in aluminum (Al)

TCOX11.1: Metal Oxide Solutions Database

The metal oxide solutions database was updated to version TCOX11.1. Users who have a license for TCOX11 and a valid Maintenance and Support Subscription receive this upgrade for free.

  • Improvement to the molar volume of FCC_A1 and BCC_A2 phases

TCNI11.0.1: Nickel-based Superalloys Database

The nickel-based superalloys database was updated to version TCNI11.0.1. Users who have a license for TCNI11 and a valid Maintenance and Support Subscription receive this upgrade for free.

  • Improvements to the molar volume of the M6C phase

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