Our PrecipCalc® software rapidly analyzes precipitation effects in materials, by integrating fundamental material parameters and realistic, mechanistic models of nucleation, growth and coarsening.

PrecipiCalc®

PrecipiCalc is a sophisticated computer program that we developed and use in our Materials by Design® technology to calculate three-dimensional, multi-particle diffusive precipitation kinetics of multiple phases. PrecipiCalc incorporates the Thermo-Calc Advanced Programming Interface (TCAPI) and adopts multicomponent thermodynamics and mobility (based on the CALPHAD methodology) in its precipitation models. This allows realistic and mechanistic modeling on nucleation, growth and coarsening without resorting to ad hoc treatments. PrecipiCalc is also used by other industry leaders (under licensing agreements from us), but we remain the leading experts in its application and customization.  PrecipiCalc is a central microstructural engine used in Accelerated Insertion of Materials (AIM) methodology. 

Typical Inputs include:

  • Physical quantities such as material compositions, bulk thermodynamics and mobility (TDB files), interfacial properties (such as surface energy and interfacial dissipation), and lattice properties (such as molar volume).
  • Thermal cycle, or temperature profile, which defines the thermal history of the material being processed. The thermal cycle can be constant (isothermal), linear cooling (quench), or complicated nonlinear and non-monotonic heat treatments (such as multi-step tempering).

Typical Outputs include the time evolution of: 

  • Precipitate microstructure - precipitate size distribution, number density and volume fraction, which can be used to construct TTT/CCT diagrams.
  • Compositions of matrix and precipitate.
  • Driving forces, nucleation rates and critical radii.

Example Applications

PrecipiCalc software has been applied to computationally design materials and optimize processes for a wide range of material systems, including:

  • γ’, carbides and borides in Ni-based superalloys.
  • Carbide/nitride/intermetallic grain refiners (in weld HAZ) and strengthening dispersions (during tempering) in steels.
  • Primary inclusion and strengthening phases in Al-based metals.
  • Heusler phase in NiTi-based shape memory alloys.