Hochschule Karlsruhe Hochschule Karlsruhe - University of Applied Sciences
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Hochschule Karlsruhe Hochschule Karlsruhe - University of Applied Sciences

Institute for Digital Materials Research


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

DeepL Access

Modules of PACE3D

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