On the application of quaternion‐based approaches in discrete element methods
Abstract
Purpose
Though the problem of resolving translational motion in particle methods is a relatively straightforward task, the complications of resolving rotational motion are non‐trivial. Many molecular dynamics and non‐deformable discrete element applications employ an explicit integration for resolving orientation, often involving products of matrices, which have well‐known drawbacks. The purpose of this paper is to investigate commonly used algorithms for resolving rotational motion and describe the application of quaternion‐based approaches to discrete element method simulations.
Design/methodology/approach
Existing algorithms are compared against a quaternion‐based reparameterization of both the central difference algorithm and the approach of Munjiza et al. for finite/discrete element modeling (FEM/DEM) applications for the case of torque‐free precession.
Findings
The resultant algorithms provide not only guaranteed orthonormality of the resulting rotation but also allow assumptions of small‐angle rotation to be relaxed and the use of a more accurate Taylor expansion instead.
Originality/value
The approaches described in this paper balance ease of implementation within existing explicit codes with computational efficiency and accuracy appropriate to the order of error in many discrete element method simulations.
Keywords
Citation
Johnson, S.M., Williams, J.R. and Cook, B.K. (2009), "On the application of quaternion‐based approaches in discrete element methods", Engineering Computations, Vol. 26 No. 6, pp. 610-620. https://doi.org/10.1108/02644400910975414
Publisher
:Emerald Group Publishing Limited
Copyright © 2009, Emerald Group Publishing Limited