Antiphase Boundary Energy Property Model Settings

The Antiphase Boundary Energy - Ni Property Model, available with the Property Model Calculator and the Nickel Model Library, calculates the antiphase boundary energy for the gamma prime (γ') phase in Ni-base alloys.

About the Antiphase Boundary Energy Property Model

For an example, see PM_Ni_02: Antiphase Boundary Energy of γ'

To run calculations with the Nickel Models requires a valid maintenance license plus licenses for both the TCNI (version 11 and newer) and MOBNI (version 5 and newer) databases. For some Property Models, additional recommendations for the database version to use is indicated in its description. Also see our website to learn more about the Nickel Model Library.

Configuration Settings

These settings are found on the Property Model Calculator when Antiphase Boundary Energy - Ni is selected under Nickel Models.

When working in the Configuration window, click the Description tab for more information about the Model.

For the details about the Condition Definitions, Calculation Type, Timeout in minutes, Parallel Calculation, and other calculation associated settings, see Property Model Calculator: Configuration Window Settings.

Enter a Freeze-in temperature value in the field. The unit matches those selected under Condition Definitions. This is the temperature where the equilibrium is calculated.

The Subset of phases setting allows you to select a subset of phases relevant to the material type under investigation. The purpose is to consider only phases relevant to typical commercial Ni-base alloys, for example it excludes the eta and delta phases that are normally thermodynamically stable at heat treatment temperatures but rarely form in practice due to their slow formation. Select one of these options to include the specified phases in the calculation:

  • All phases: To include all phases in the current system.
  • Gamma and gamma prime only (γ and γ' only): To include only disordered FCC (γ) and L12 ordered FCC (γ').

    For the Coarsening - Ni Property Model, you select Gamma and selected precipitate(s) instead and it still includes only disordered FCC (γ) and L12 ordered FCC (γ').

    For Solvus for Ordered Phases - Ni and Strain-Age Cracking - Ni, this option is Gamma + Gamma Prime.

  • Typical Ni-base superalloy: To include phases typically present in Ni-base superalloys, i.e. liquid, gamma (γ), gamma prime (γ'), gamma double prime (γ") and carbides (FCC_L12#3, HCP_A3#1, HCP_A3#2, M23C6, M6C, M7C3) along with some additional phases (BCC_A2, BCC_A2#2, BCC_B2, BCC_B2#2, BCT_D022, NI3B_D011, M2B_TETR, D5A_M3B2, M3B2, MB_B33, MB2_C32, G_PHASE, NI5ZR, NI7ZR2, CR3NI5SI2, CR3NI5SI2, SPINEL, ALPHA_SPINEL, CORUNDUM).
  • Typical Ni-base superalloy plus eta and delta: To include the phases listed above for a Typical Ni-base superalloy plus eta (η) (NI3TI_D024) and delta (δ) (NI3TA_D0A) phases.
  • Typical Ni-base superalloy plus TCP phases: To include the phases listed above for a Typical Ni-base superalloy plus topologically close packed (TCP) phases. TCP phases are laves (C14_LAVES), sigma (σ) (SIGMA), mu (μ) (MU_PHASE), R (R_PHASE), P (P_PHASE), Z (Z_PHASE) and CR3SI (CR3SI_A15).

This setting is not available if Gamma and gamma-prime only is selected as the Subset of phases.

Select an Equilibrium minimization strategy. The default uses the Global test preferred option. For this Property Model, and for either Global option, also enter the Max number of global gridpoints, where the default is 20000.

The Minimization Strategy setting is used to ensure that the most stable minimum under the specified conditions is computed.

With either the Global test preferred or Local minimization preferred setting, the program cycles through options before it gives up:

  • For Global test preferred the minimization starts with a global test and if that fails it runs full global minimization.
  • For Local minimization preferred the minimization starts with a local minimization, in case of failure it tries a global test and finally a full global minimization.

If you choose Local minimization only or Global minimization only, the program just tries the one setting and gives up if it fails.

For general information about global minimization, see the topic related to the Console Mode command, GLOBAL_MINIMIZATION.

Plot Renderer Settings

Plot Renderer and Plot Renderer: Configuration Settings

When setting up your calculation on the Plot Renderer and/or Table Renderer, the following axis variables are available for the conditions defined on the Property Model Calculator.

Select from these plot quantities and then choose the unit Joule per m2 or Millijoule per m2:

  • Composition
  • APBE for 111 plane (1/2): The antiphase boundary energy for the 111-plane for the first γ' phase.
  • APBE for 100 plane (1/2): The antiphase boundary energy for the 100-plane for the first γ' phase.
  • APBE average (1/2): The average of the antiphase boundary energy for the 100- and 111-plane for the first γ' phase.
  • APBE for 111 plane (2/2): The antiphase boundary energy for the 111-plane for the second γ' phase in the case more than one FCC_L12 composition set is identified as γ'.
  • APBE for 100 plane (2/2): The antiphase boundary energy for the 100-plane for the second γ' phase in the case more than one FCC_L12 composition set is identified as γ'.
  • APBE average (2/2): The average of the antiphase boundary energy for the 100- and 111-plane for the first γ' phase in the case more than one FCC_L12 composition set is identified as γ'.
  • Delta APBE rel.pure Ni3Al: w.r.t. Ni3Al - The antiphase boundary energy of the 111-plane for the current γ' relative to 'pure' Ni3Al γ'.