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DY: Fachverband Dynamik und Statistische Physik

DY 28: Statistical Physics 5 - organized by Barbara Drossel (Darmstadt), Sabine Klapp (Berlin) and Thomas Speck (Mainz)

DY 28.2: Talk

Tuesday, March 23, 2021, 14:20–14:40, DYb

What can kinetic Monte Carlo do for active Matter? — •Juliane U. Klamser¹, Olivier Dauchot¹, and Julien Tailleur² — ¹Gulliver UMR CNRS 7083, ESPCI Paris, Université PSL, 75005 Paris, France — ²Laboratoire Matiere et Systemes Complexes, UMR 7057 CNRS/P7, Université Paris Diderot, 10 rue Alice Domon et Leonie Duquet, 75205 Paris cedex 13, France

As an efficient numerical method, discrete-time, continuous-space Monte Carlo (MC) is wildly used in physics. While constructing an active matter version is straightforward, the question remains to what extent it faithfully captures real-world active systems. We focus on a kinetic MC version for the simplest kind of active matter: persistently moving, non-polar, interacting particles. On the multi-particle level, the MC dynamics captures not only Motility-induced phase separation but also features a non-equilibrium extension of the celebrated two-dimensional melting. An attempt to characterize these phases and their transitions relies on the existence of a thermodynamic pressure, which is not guaranteed outside equilibrium. For a soundly chosen version of the MC dynamics, we show that pressure is a thermodynamic state variable over a robust parameter range. This is demonstrated by deriving the corresponding Langevin description and the associated expression for pressure, which is confirmed by large scale many-particle simulations. Last but not least, our work culminates in a prescription for extending kinetic MC to the standard active matter models, namely active Brownian particles and active Ornstein-Uhlenbeck particles.