PyCompact: An integrated workflow for discrete element method–multi-particle finite element method for powder compaction simulation

This study introduces an integrated workflow for simulating powder compaction through a hybrid discrete element method (DEM) and multi-particle finite element method (MPFEM) approach. PyCompact, by integrating FreeCAD, LIGGGHTS, ParaView, LS-PrePost, and OpenRadioss with two in-house Python scripts for automated data translation and mesh generation, the framework covers the full simulation cycle: geometric modelling, particle generation, finite element meshing, compaction analysis, and visualization. The workflow was validated using experimental data from two Fe-Si-Al-P powders with distinct particle size distributions. Results demonstrated a maximum relative density deviation of only 2.5 % compared to experiments, matching ABAQUS predictions. This work introduces the first validated DEM-MPFEM framework that eliminates licensing barriers for the core simulation steps, enhances reproducibility, and adapts to various powder compaction applications in academic and industrial settings.