Parallel Algorithms for Crystal Evolution in 3D software package

  •  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

  • Implementation in C, C++ for Linux, approx. 550.000 l.o.c.
  • simulations can be run sequentially or parallely using MPI and OpenMP on high performance computers
  • performance-optimization of the software is achieved by adaptive meshes, computing time and memory saving algorithms, dynamical domain decomposition and data compression
  • Code is vectorized to run performant on modern CPUs and XeonPhi co-processors
  • Framework for easy access of the pre- and postprocessing features
  • Huge package of pre- and postprocessing methods

Integration of external data
Import and export of different file formats
Library functions for fast development of new import and export filters
Already implemented importers are available for MD-data, kMC, image to voxel data converter, FEM, experimental data, i.e. from Electron Backscatter Diffraction (EBSD)
Importing of CAD data with the STEP file format Coupling of material parameter databases

PACE 3D is a massive software package for large 3D parallel simulations and data analysis of microstructure formation including various effects such as fluid flow, stress and strain, diffusion of multiple components and magnetism.

The package contains:

  • preprocessing tools for data preparation, for configuration of computations and domain fillings
  • simulation for numerically solving the coupled set of nonlinear evolution equations including parallel and adaptive grid methods as well as memory and computation time optimizations
  • post processing tools for data analysis and high quality visualisation