PanPrecipitation: Precipitation simulation view documentations

PanPrecipitation module is for the simulation of precipitation behavior of multi-component alloys during arbitrary heat treatment schedules. It is seamlessly integrated with PanEngine for the necessary thermodynamic input and mobility data. The software design is shown in the below figure. The module uses Langer-Schwartz theory and Kampmann-Wagner numerical approach to treat concurrent nucleation, growth/dissolution, and coarsening under isothermal and non-isothermal conditions. This module can be used to simulate temporal evolution of average particle size, number density, particle size distribution, and volume fraction and composition of precipitates. This module can automatically handle the concurrent nucleation, growth/dissolution, and coarsening of multiple group sizes, such as primary, secondary, and tertiary γ’ developed in nickel-based superalloys during heat treatment processes. It can also handle the competing nucleation, growth and coarsening of multiple precipitate phases, such as γ’ and γ” in nickel alloy 718. A combined thermodynamic database and mobility database must be loaded for the PanPrecipitation module. In addition, a kinetic parameter database is also needed for a meaningful precipitation simulation. PanPrecipitation module needs a combined thermodynamic and mobility database to perform a meaningful simulation for a material system in question. Please refer to Databases for more information.

Basic Functionalities of PanPrecipitation Module

  • Particle size evolution: average particle size evolution under various heat treatment conditions
  • Particle size distribution: particle size distribution at selected time stages
  • Heterogeneous nucleation: heterogeneous nucleation at grain boundary/edge/corner or at dislocations
  • Interfacial energy estimation: instant estimated interfacial energy during particle evolution
  • Evolution of aspect ratio: evolution of aspect ratio due to direction dependent interfacial energy and anisotropic misfit strain energy
  • Input of initial microstructure: allows user to input the Initial microstructure, such as the precipitate size, fraction and distribution
  • Strength model: precipitation hardening and strengthening of Al-based and Ni-based alloys
  • TTT diagram: time-temperature-transformation plots of precipitates

Featured Plots of PanPrecipitation Module

This figure shows an example of simulated particle number density of primary, secondary and tertiary γ’ for a nickel alloy

This figure shows an example of average size evolution of γ’ and γ” co-precipitation during isothermal ageing

This figure shows an example of size distribution of γ’ and γ” co-precipitation after isothermal ageing

PanPrecipitation module has been used to understand age hardening behavior of aluminum alloys. Precipitation simulation is performed for an AA6005 alloy aged at 185 ℃. The simulated number density, particle size and hardness evolution with time are compared with experimental data as shown in these figures.

PanPrecipitation module has also been used to understand softening behavior of aluminum alloys during reheating process. Precipitation simulation is performed for an AA6005 alloy first aged at 185 ℃ for 4 hours to peak performance and then reheated to 350 ℃. The simulated responses of the alloy to the reheating process are compared with experimental data as shown in these figures.