Nickel Properties

Nickel Model Library

A set of Property Models designed to help experts working with nickel quickly and easily set up calculations using the Property Model Calculator.

About the Nickel Model Library

The Nickel Model Library is a package of property models used to set up calculations in the Property Model Calculator. The library includes three models intended for those working in the nickel industry:  Antiphase Boundary Energy, Coarsening, and Equilibrium with Freeze-in Temperature.

The Nickel Model Library is available for free to all users who have licenses for the nickel databases TCNI11/MOBNI5 and valid Maintenance & Support Subscription (M&SS).

Antiphase Boundary Energy Model

The Antiphase Boundary Energy Model calculates the antiphase boundary energy for Ni-base alloys with gamma prime (γ’) as the precipitate phase. The model is based on Miodownik et al. (1995), Saunders et al. (2000), Crudden et al. (2014), and Liu et al. (2018). See references

The plot shows APBE surface energy for 111 plane as a function of composition of Ti (mole %) compared to experimental data from Vamsi et al. and Chandran et al. The calculation uses an Ni3Al1-xTix alloy at room temperature using a subset of phases for a typical Ni-base superalloy.

A plot showing the composition of Ti mole percent compared to APBE surface energy for 111 plane and experimental data.

Coarsening - Ni Model

The Coarsening Model calculates the coarsening rate coefficient of one or several precipitate phases in a matrix phase, assuming spherical geometry of the precipitating phase(s). The model is based on Anderson et al. (1992) and Morral et al. (1994). See references.

The plot shows the calculated coarsening rate of γ’at 1000 °C for an Ni0.6Mo0.92Ta12.5Al1.83Ti10.5Cr3.3W alloy when changing the Cr and W content.

A 3d plot showing the calculated coarsening rate of gamma price for an Ni-0.6Mo-0.92Ta-12.5Al-1.83Ti-10.5Cr-3.3W-alloy when changing the Cr and W content.

Equilibrium with Freeze-in Temperature - Ni Model

The Equilibrium with Freeze-in Temperature Model calculates equilibrium at the freeze-in temperature and evaluates the properties at a different temperature. The assumption is that diffusion and phase transformations are negligible when changing from the freeze-in-temperature and, therefore, that the phase amounts and compositions of phases are kept at all other temperatures. 

The electrical resistivity due to phase interface scattering is evaluated as the scattering constant times sum of the interaction between the volume fraction of all the phases. The contribution to thermal conductivity is assumed to be related to that of electrical resistivity, following the Wiedemann-Franz law. See references.

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.  

A plot showing the lattice parameters for gamma and gamma prime plotted against experimental data.

Nickel Model Library Examples

The Nickel Model Library includes two examples to help users get started. The examples are available from within the software from the Help menu > Example Files > Property models > Nickel.

  • PM_Ni_01_Lattice_Parameter_of_Gamma_Gamma_Prime
  • PM_Ni_02_Antiphase_Boundary_Energy_of_Gamma_Prime.tcu

Nickel Models References

Antiphase Boundary Energy Model

  1. D. J. Crudden, A. Mottura, N. Warnken, B. Raeisinia, R. C. Reed, 2014. “Modelling of the influence of alloy composition on flow stress in high-strength nickel-based superalloys.” Acta Materialia. 75: pp. 356–370. Read now
  2. Y.-X. Liu, Y. . Lin, 2018. “A Yield Stress Model for a Solution-Treated Ni-Based Superalloy during Plastic Deformation.” High Temperature Materials and Processes. 37: pp. 849–856. Read now
  3. A. P. Miodownik, N. J. Saunders, 1995. “The calculation of APB energies in Ll2 compounds using a thermodynamic database” in “Applications of Thermodynamics in the Synthesis and Processing of Materials,” P. Nash, B. Sundman, Eds. (TMS, Warrendale, PA, 1995), pp. 91–104. Read now
  4. N. Saunders, M. G. Fahrmann, C. J. Small, 2000. “The Application of CALPHAD Calculations to Ni-Based Superalloys.” Superalloys 2000 (TMS, Warrendale, Pa., 2000), pp. 803–811. Read now. 

Coarsening of Gamma Prime Model

  1. J. O. Andersson, J. Ågren, 1992. “Models for numerical treatment of multicomponent diffusion in simple phases.” Journal of Applied Physics. 72 (4): pp. 1350–1355. Read now
  2. J. E. Morral, G. R. Purdy, 1994. “Particle coarsening in binary and multicomponent alloys.” Scripta Metallurgica et Materialia. 30 (7): pp 905–908. Read now

Equilibrium with Freeze-in Temperature Model

  1. R. Franz and G. Wiedemann, 1853. “Ueber die Wärme-Leitungsfähigkeit der Metalle.” Annalen der Physik. 165 (8): pp. 497–531. Read now
  2. T. M. Tritt, 2004. “Thermal Conductivity: Theory, Properties, and Applications.” New York, Boston, Dordrecht, London, Moscow: Kluwer Academic Publishers-Plenum Publishers. Read now

Availability

The Nickel Model Library is available for free to all users with licenses for the nickel databases TCNI11 and MOBNI5, and a valid Maintenance & Support Subscription (M&SS). If you do not already have a Thermo-Calc license or you are interested in expanding your license, please contact us to discuss which license is right for you.

Let Us Help You

Find the Right Products