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Bibliographic Details
Main Authors: Schaffrath, Nico, Sathiyanesan, Thevashangar, Kampmann, Tobias A., Kierfeld, Jan
Format: Preprint
Published: 2021
Subjects:
Online Access:https://arxiv.org/abs/2111.06760
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Table of Contents:
  • We present a cluster kinetic Monte-Carlo algorithm for active matter systems of self-propelled particles with special focus on steric interactions. The kinetic event-chain algorithm is based on the event-chain Monte-Carlo method and is applied to active Brownian disks in two dimensions. The algorithm assigns Monte-Carlo moves of active disks a mean time based on a comparison between Brownian dynamics and the dynamics of the event-chain Monte-Carlo method. This time is used to perform diffusional rotation of their propulsion force. We show that the algorithm correctly and efficiently reproduces various physical results ranging from single-particle dynamics to many-body-effects. In particular, we reproduce the phase diagram of active disks and the motility-induced phase separated region with high accuracy. The kinetic event-chain algorithm is shown to be much faster - at comparable accuracy - than (event-driven) Brownian dynamics algorithms, enabling large-scale simulations up to giant systems with $10^5$ particles on standard desktop hardware.