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| Main Authors: | , , , |
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| Format: | Preprint |
| Published: |
2021
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2111.06760 |
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| _version_ | 1866909014945693696 |
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| author | Schaffrath, Nico Sathiyanesan, Thevashangar Kampmann, Tobias A. Kierfeld, Jan |
| author_facet | Schaffrath, Nico Sathiyanesan, Thevashangar Kampmann, Tobias A. Kierfeld, Jan |
| 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2111_06760 |
| institution | arXiv |
| publishDate | 2021 |
| record_format | arxiv |
| spellingShingle | Kinetic Event-Chain Algorithm for Active Matter Schaffrath, Nico Sathiyanesan, Thevashangar Kampmann, Tobias A. Kierfeld, Jan Soft Condensed Matter Computational Physics 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. |
| title | Kinetic Event-Chain Algorithm for Active Matter |
| topic | Soft Condensed Matter Computational Physics |
| url | https://arxiv.org/abs/2111.06760 |