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Computational Particle Mechanics

, Volume 3, Issue 3, pp 383–388 | Cite as

Stable algorithm for event detection in event-driven particle dynamics: logical states

  • Severin Strobl
  • Marcus N. Bannerman
  • Thorsten Pöschel
Article

Abstract

Following the recent development of a stable event-detection algorithm for hard-sphere systems, the implications of more complex interaction models are examined. The relative location of particles leads to ambiguity when it is used to determine the interaction state of a particle in stepped potentials, such as the square-well model. To correctly predict the next event in these systems, the concept of an additional state that is tracked separately from the particle position is introduced and integrated into the stable algorithm for event detection.

Keywords

DEM Event-driven Molecular dynamics Square well Stepped potential Collision detection 

Notes

Acknowledgments

The authors gratefully acknowledge the support of the German Research Foundation (DFG) through the Cluster of Excellence ‘Engineering of Advanced Materials’ at the University of Erlangen-Nuremberg and through Grant Po 472/25.

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Copyright information

© OWZ 2016

Authors and Affiliations

  1. 1.Institute for Multiscale SimulationFriedrich-Alexander-Universität Erlangen-NürnbergErlangenGermany
  2. 2.School of EngineeringUniversity of AberdeenAberdeenUK

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