Kinetic Monte Carlo Algorithms for Active Matter Systems

Juliane U. Klamser, Olivier Dauchot, and Julien Tailleur
Phys. Rev. Lett. 127, 150602

We study kinetic Monte Carlo (KMC) descriptions of active particles. We show that, when they rely on purely persistent, active steps, their continuous-time limit is ill-defined, leading to the vanishing of trademark behaviors of active matter such as the motility-induced phase separation, ratchet effects, as well as to a diverging mechanical pressure. We then show how, under an appropriate scaling, mixing passive steps with active ones leads to a well-defined continuous-time limit that however differs from standard active dynamics. Finally, we propose new KMC algorithms whose continuous-time limits lead to the dynamics of active Ornstein-Uhlenbeck, active Brownian, and run-and-tumble particles.


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