2021/11/12 by Schaffrath, Nico, Kampmann, Tobias A., Thevashangar Sathiyanesan +4
Materials Science · Physics and Astronomy · #Advanced Thermodynamics and Statistical Mechanics #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Micro and Nano Robotics #Pickering emulsions and particle stabilization #Soft Condensed Matter (cond-mat.soft)
paper · pdf · doi:10.48550/arxiv.2111.06760
openalex publication_date 2021/11/12 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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 105 particles on standard desktop hardware.