The PACE3D software package
Pace3D (Parallel Algorithms for Crystal Evolution in 3D) is a modular software package for large-scale parallel (3D+t) simulations of phase transformation processes and microstructure formation in multicomponent, multiphase and polycrystalline material systems, taking into account multiphysical influencing variables such as heat and material diffusion, flow, thermo/chemo-mechanics, electrochemistry and magnetism.
Furthermore, the Pace3D software package contains a comprehensive compendium of pre- and post-processing algorithms, as well as visualisation methods with programming interfaces for data preparation and data analysis of dynamic microstructure development. The data science methods can be combined as workflows and are made available in the research data infrastructure Kadi4Mat, under FAIR principles, for sustainable application.
The framework is continuously developed further, using the version management GIT, and contains diverse documentation options for developers and users.
The Pace3D - package contains modules for the solution of various applications:
- Phase-field models for microstructure formations in multicomponent and multiphase materials
- CFD solvers for modelling fluid flow processes based on the Navier-Stokes equations and on the Lattice-Boltzmann method
- Solid Mechanics
- Micromagnetism
- Electrical fields
- Grand chemical potential, Grand elastic potential