PanPrecipitation: Simulation of precipitation kinetics during heat treatment process

  • Concurrent nucleation, growth/dissolution, and coarsening of precipitates
  • Temporal evolution of average particle size and number density
  • Temporal evolution of particle size distribution
  • Temporal evolution of volume fraction and composition of precipitates

Architecture of PanPrecipitation

New Features (version 2019)

  • Interfacial energy estimation: A model based on the generalized broken bond (GBB) method has been implemented to estimate interfacial energy between matrix and precipitate phases.
  • Models for heterogeneous nucleation: Theoretical models have been implemented to consider heterogeneous nucleation at grain boundary/edge/corner or at dislocations. 

The following figure shows an example calculation of carbides precipitation in steel alloys considering heterogeneous nucleation at various locations. 

  • Evolution of aspect ratio: A new model has been implemented to simulate the evolution of aspect ratio due to direction dependent interfacial energy and anisotropic misfit strain energy.

The following figures show an example calculation for AZ91 with shape evolution during the precipitation process.

  • Strength model: Strength model has been developed for nickel-based alloys considering particles with multiple particle size groups with weak/strong pair coupling or bowing mechanisms.

The following figure shows an example of calculated critical resolved shear stress for a nickel alloy Nimonic 105. 

Input and output: New features for input and output are available to allow user’s input of initial particle size distribution (PSD) for precipitation simulation and output of PSD at user pre-defined times. 

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