Developing SPIRAL: A stable particle rotation integration algorithm

Carlos Andrés del Valle*, Vasileios Angelidakis, Sudeshna Roy, José Daniel Muñoz, Thorsten Pöschel

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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Abstract

We introduce SPIRAL, our newly developed third-order integration algorithm, which resolves many of the issues with existing ones and outperforms them in all tested metrics with only minor increases in computational cost. The algorithm does not require quaternion normalization for each timestep and is compatible with both leapfrog and non-leapfrog schemes, making it easy to adapt to most existing simulation frameworks. The integration of rotational motion is a key part of many applications, such as embedded systems, sensors, aircraft control systems, molecular dynamics (MD), and discrete element method simulations (DEM). However, current methods for integrating the rotational motion of particles in simulations are not optimal, particularly for non-spherical particles. This study compares various integration algorithms using a range of metrics, including accuracy against an analytical solution, performance, numerical stability, and energy conservation in a challenging undamped system.
Original languageEnglish
Title of host publication9th International Conference on Discrete Element Methods (DEM9): Book of Abstracts
PublisherFAU Erlangen-Nürnberg
Pages248
Number of pages1
DOIs
Publication statusPublished - 16 Oct 2023

Keywords

  • Discrete element method (DEM)
  • non-spherical particles
  • simulation accuracy
  • numerical integration algorithm for rotation
  • molecular dynamics (MD)

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