Institute of Digital Materials Science
PACE3D-Software
PACE3D (Parallel Algorithms for Crystal Evolution in 3D) is a huge software package for large three-dimensional parallel simulations and for data analysis of microstructure formation involving various effects such as flow, stress, strain, diffusion of multiple components and magnetism.
The Package includes:
- Preprocessing tools for data preparation to configure computations and domain fills
- Simulations for numerical solution of the coupled nonlinear evolution equations, including parallel and adaptive grid methods and memory and computation time optimisations
- Post-processing tools for data analysis and high-quality visualisations
Modules for solving 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
- Electric fields
- The large chemical potential and the large elastic potential
Further modules and possibilities
- Implementation in C, C++ for Linux, approx. 550,000 l.o.c.
- Simulations can run sequentially or in parallel on high-performance computers through the use of MPI and OpenMP
- Software performance optimisation is achieved through adaptive meshes, computational time and memory saving algorithms, dynamic domain decomposition and data compression
- The code is vectorised to run performantly on modern CPUs and XeonPhi co-processors
- A framework for easy access to pre- and post-processing functions
- A huge package of pre- and post-processing methods
- Integration of external data
- Import and export of various file formats
- A library is used to quickly develop new import and export filters
- Already implemented import filters are available for: MD data, kMC, image-in-voxel data converter, FEM, experimental data, e.g. from electron backscatter diffraction (EBSD)
- Import of CAD data with STEP file format
- Coupling of material parameter databases