Discrete element simulation datasets of particle flow in representative unit cells

Abstract

This publication contains two datasets of particle flow within representative unit cells, generated using the simulation software SimPARTIX (https://www.simpartix.com/). The datasets are used for evaluating a graph-based interaction-aware particle trajectory prediction model, as detailed in the paper available at https://arxiv.org/pdf/2503.00215. The first dataset, "raw_data_simple_periodic_BC.tgz", includes a unit cell calculation with simple periodic boundary conditions and a sinusoidal velocity profile. The second dataset, "raw_data_Lees-Edwards_BC.tgz", includes a unit cell calculation utilizing Lees-Edwards boundary conditions.